Program PWSCF v.5.1.1 starts on 3Jun2016 at 17:24:14 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./CoBiO3.save/ file Co.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 26 15 4 906 395 64 Max 27 16 5 913 414 71 Sum 1281 749 225 43699 19411 3245 bravais-lattice index = 14 lattice parameter (alat) = 7.0506 a.u. unit-cell volume = 443.8347 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.050568 celldm(2)= 1.000000 celldm(3)= 1.266336 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.266336 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 0.789680 ) PseudoPot. # 1 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. # 2 for Bi read from file: /users/gautes/Pseudo/Bi_MT_PBE.UPF MD5 check sum: b574f8a1102dd4d1778b4090b55884d0 Pseudo is Norm-conserving, Zval = 5.0 Generated using "atomic" code by A. Dal Corso (espresso distribution) Using radial grid of 1283 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 3 for Co read from file: /users/gautes/Pseudo/Co.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6e843fd57bb34a371311d5dc8eddf880 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1193 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 O 6.00 15.99940 O( 1.00) Bi 5.00 208.98040 Bi( 1.00) Co 9.00 58.93320 Co( 1.00) 8 Sym. Ops. (no inversion) found 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 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 90 deg rotation - cart. axis [0,0,-1] cryst. s( 3) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 90 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 5) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 5) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 6) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 6) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 7 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s( 7) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s( 8) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_4v (4mm) there are 7 classes and 2 irreducible representations the character table: E -E 2C4 -2C4 C2 2s_v 2s_d -C2 -2s_v -2s_d G_6 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 G_7 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 the symmetry operations in each class: E 1 C2 -C2 2 -2 2C4 3 4 2s_v-2s_v 5 -5 6 -6 2s_d-2s_d 7 -7 -8 8 -E -1 -2C4 -3 -4 Cartesian axes number of k points= 403 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024814 k( 2) = ( 0.0000000 0.0116279 -0.0000000), wk = 0.0024814 k( 3) = ( 0.0000000 0.0232558 -0.0000000), wk = 0.0024814 k( 4) = ( 0.0000000 0.0348837 -0.0000000), wk = 0.0024814 k( 5) = ( 0.0000000 0.0465116 -0.0000000), wk = 0.0024814 k( 6) = ( 0.0000000 0.0581395 -0.0000000), wk = 0.0024814 k( 7) = ( 0.0000000 0.0697674 -0.0000000), wk = 0.0024814 k( 8) = ( 0.0000000 0.0813954 -0.0000000), wk = 0.0024814 k( 9) = ( 0.0000000 0.0930233 -0.0000000), wk = 0.0024814 k( 10) = ( 0.0000000 0.1046512 -0.0000000), wk = 0.0024814 k( 11) = ( 0.0000000 0.1162791 -0.0000000), wk = 0.0024814 k( 12) = ( 0.0000000 0.1279070 -0.0000000), wk = 0.0024814 k( 13) = ( 0.0000000 0.1395349 -0.0000000), wk = 0.0024814 k( 14) = ( 0.0000000 0.1511628 -0.0000000), wk = 0.0024814 k( 15) = ( 0.0000000 0.1627907 -0.0000000), wk = 0.0024814 k( 16) = ( 0.0000000 0.1744186 -0.0000000), wk = 0.0024814 k( 17) = ( 0.0000000 0.1860465 -0.0000000), wk = 0.0024814 k( 18) = ( 0.0000000 0.1976744 -0.0000000), wk = 0.0024814 k( 19) = ( 0.0000000 0.2093023 -0.0000000), wk = 0.0024814 k( 20) = ( 0.0000000 0.2209302 -0.0000000), wk = 0.0024814 k( 21) = ( 0.0000000 0.2325581 -0.0000000), wk = 0.0024814 k( 22) = ( 0.0000000 0.2441860 -0.0000000), wk = 0.0024814 k( 23) = ( 0.0000000 0.2558140 -0.0000000), wk = 0.0024814 k( 24) = ( 0.0000000 0.2674419 -0.0000000), wk = 0.0024814 k( 25) = ( 0.0000000 0.2790698 -0.0000000), wk = 0.0024814 k( 26) = ( 0.0000000 0.2906977 -0.0000000), wk = 0.0024814 k( 27) = ( 0.0000000 0.3023256 -0.0000000), wk = 0.0024814 k( 28) = ( 0.0000000 0.3139535 -0.0000000), wk = 0.0024814 k( 29) = ( 0.0000000 0.3255814 -0.0000000), wk = 0.0024814 k( 30) = ( 0.0000000 0.3372093 -0.0000000), wk = 0.0024814 k( 31) = ( 0.0000000 0.3488372 -0.0000000), wk = 0.0024814 k( 32) = ( 0.0000000 0.3604651 -0.0000000), wk = 0.0024814 k( 33) = ( 0.0000000 0.3720930 -0.0000000), wk = 0.0024814 k( 34) = ( 0.0000000 0.3837209 -0.0000000), wk = 0.0024814 k( 35) = ( 0.0000000 0.3953488 -0.0000000), wk = 0.0024814 k( 36) = ( 0.0000000 0.4069767 -0.0000000), wk = 0.0024814 k( 37) = ( 0.0000000 0.4186047 -0.0000000), wk = 0.0024814 k( 38) = ( 0.0000000 0.4302326 -0.0000000), wk = 0.0024814 k( 39) = ( 0.0000000 0.4418605 -0.0000000), wk = 0.0024814 k( 40) = ( 0.0000000 0.4534884 -0.0000000), wk = 0.0024814 k( 41) = ( 0.0000000 0.4651163 -0.0000000), wk = 0.0024814 k( 42) = ( 0.0000000 0.4767442 -0.0000000), wk = 0.0024814 k( 43) = ( 0.0000000 0.4883721 -0.0000000), wk = 0.0024814 k( 44) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0024814 k( 45) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0024814 k( 46) = ( 0.0116279 0.5000000 -0.0000000), wk = 0.0024814 k( 47) = ( 0.0232558 0.5000000 -0.0000000), wk = 0.0024814 k( 48) = ( 0.0348837 0.5000000 -0.0000000), wk = 0.0024814 k( 49) = ( 0.0465116 0.5000000 -0.0000000), wk = 0.0024814 k( 50) = ( 0.0581395 0.5000000 -0.0000000), wk = 0.0024814 k( 51) = ( 0.0697674 0.5000000 -0.0000000), wk = 0.0024814 k( 52) = ( 0.0813954 0.5000000 -0.0000000), wk = 0.0024814 k( 53) = ( 0.0930233 0.5000000 -0.0000000), wk = 0.0024814 k( 54) = ( 0.1046512 0.5000000 -0.0000000), wk = 0.0024814 k( 55) = ( 0.1162791 0.5000000 -0.0000000), wk = 0.0024814 k( 56) = ( 0.1279070 0.5000000 -0.0000000), wk = 0.0024814 k( 57) = ( 0.1395349 0.5000000 -0.0000000), wk = 0.0024814 k( 58) = ( 0.1511628 0.5000000 -0.0000000), wk = 0.0024814 k( 59) = ( 0.1627907 0.5000000 -0.0000000), wk = 0.0024814 k( 60) = ( 0.1744186 0.5000000 -0.0000000), wk = 0.0024814 k( 61) = ( 0.1860465 0.5000000 -0.0000000), wk = 0.0024814 k( 62) = ( 0.1976744 0.5000000 -0.0000000), wk = 0.0024814 k( 63) = ( 0.2093023 0.5000000 -0.0000000), wk = 0.0024814 k( 64) = ( 0.2209302 0.5000000 -0.0000000), wk = 0.0024814 k( 65) = ( 0.2325581 0.5000000 -0.0000000), wk = 0.0024814 k( 66) = ( 0.2441860 0.5000000 -0.0000000), wk = 0.0024814 k( 67) = ( 0.2558140 0.5000000 -0.0000000), wk = 0.0024814 k( 68) = ( 0.2674419 0.5000000 -0.0000000), wk = 0.0024814 k( 69) = ( 0.2790698 0.5000000 -0.0000000), wk = 0.0024814 k( 70) = ( 0.2906977 0.5000000 -0.0000000), wk = 0.0024814 k( 71) = ( 0.3023256 0.5000000 -0.0000000), wk = 0.0024814 k( 72) = ( 0.3139535 0.5000000 -0.0000000), wk = 0.0024814 k( 73) = ( 0.3255814 0.5000000 -0.0000000), wk = 0.0024814 k( 74) = ( 0.3372093 0.5000000 -0.0000000), wk = 0.0024814 k( 75) = ( 0.3488372 0.5000000 -0.0000000), wk = 0.0024814 k( 76) = ( 0.3604651 0.5000000 -0.0000000), wk = 0.0024814 k( 77) = ( 0.3720930 0.5000000 -0.0000000), wk = 0.0024814 k( 78) = ( 0.3837209 0.5000000 -0.0000000), wk = 0.0024814 k( 79) = ( 0.3953488 0.5000000 -0.0000000), wk = 0.0024814 k( 80) = ( 0.4069767 0.5000000 -0.0000000), wk = 0.0024814 k( 81) = ( 0.4186047 0.5000000 -0.0000000), wk = 0.0024814 k( 82) = ( 0.4302326 0.5000000 -0.0000000), wk = 0.0024814 k( 83) = ( 0.4418605 0.5000000 -0.0000000), wk = 0.0024814 k( 84) = ( 0.4534884 0.5000000 -0.0000000), wk = 0.0024814 k( 85) = ( 0.4651163 0.5000000 -0.0000000), wk = 0.0024814 k( 86) = ( 0.4767442 0.5000000 -0.0000000), wk = 0.0024814 k( 87) = ( 0.4883721 0.5000000 -0.0000000), wk = 0.0024814 k( 88) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0024814 k( 89) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0024814 k( 90) = ( 0.4916667 0.4916667 -0.0000000), wk = 0.0024814 k( 91) = ( 0.4833333 0.4833333 -0.0000000), wk = 0.0024814 k( 92) = ( 0.4750000 0.4750000 -0.0000000), wk = 0.0024814 k( 93) = ( 0.4666667 0.4666667 -0.0000000), wk = 0.0024814 k( 94) = ( 0.4583333 0.4583333 -0.0000000), wk = 0.0024814 k( 95) = ( 0.4500000 0.4500000 -0.0000000), wk = 0.0024814 k( 96) = ( 0.4416667 0.4416667 -0.0000000), wk = 0.0024814 k( 97) = ( 0.4333333 0.4333333 -0.0000000), wk = 0.0024814 k( 98) = ( 0.4250000 0.4250000 -0.0000000), wk = 0.0024814 k( 99) = ( 0.4166667 0.4166667 -0.0000000), wk = 0.0024814 k( 100) = ( 0.4083333 0.4083333 -0.0000000), wk = 0.0024814 k( 101) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0024814 k( 102) = ( 0.3916667 0.3916667 -0.0000000), wk = 0.0024814 k( 103) = ( 0.3833333 0.3833333 -0.0000000), wk = 0.0024814 k( 104) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0024814 k( 105) = ( 0.3666667 0.3666667 -0.0000000), wk = 0.0024814 k( 106) = ( 0.3583333 0.3583333 -0.0000000), wk = 0.0024814 k( 107) = ( 0.3500000 0.3500000 -0.0000000), wk = 0.0024814 k( 108) = ( 0.3416667 0.3416667 -0.0000000), wk = 0.0024814 k( 109) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0024814 k( 110) = ( 0.3250000 0.3250000 -0.0000000), wk = 0.0024814 k( 111) = ( 0.3166667 0.3166667 -0.0000000), wk = 0.0024814 k( 112) = ( 0.3083333 0.3083333 -0.0000000), wk = 0.0024814 k( 113) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0024814 k( 114) = ( 0.2916667 0.2916667 -0.0000000), wk = 0.0024814 k( 115) = ( 0.2833333 0.2833333 -0.0000000), wk = 0.0024814 k( 116) = ( 0.2750000 0.2750000 -0.0000000), wk = 0.0024814 k( 117) = ( 0.2666667 0.2666667 -0.0000000), wk = 0.0024814 k( 118) = ( 0.2583333 0.2583333 -0.0000000), wk = 0.0024814 k( 119) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0024814 k( 120) = ( 0.2416667 0.2416667 -0.0000000), wk = 0.0024814 k( 121) = ( 0.2333333 0.2333333 -0.0000000), wk = 0.0024814 k( 122) = ( 0.2250000 0.2250000 -0.0000000), wk = 0.0024814 k( 123) = ( 0.2166667 0.2166667 -0.0000000), wk = 0.0024814 k( 124) = ( 0.2083333 0.2083333 -0.0000000), wk = 0.0024814 k( 125) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0024814 k( 126) = ( 0.1916667 0.1916667 -0.0000000), wk = 0.0024814 k( 127) = ( 0.1833333 0.1833333 -0.0000000), wk = 0.0024814 k( 128) = ( 0.1750000 0.1750000 -0.0000000), wk = 0.0024814 k( 129) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0024814 k( 130) = ( 0.1583333 0.1583333 -0.0000000), wk = 0.0024814 k( 131) = ( 0.1500000 0.1500000 -0.0000000), wk = 0.0024814 k( 132) = ( 0.1416667 0.1416667 -0.0000000), wk = 0.0024814 k( 133) = ( 0.1333333 0.1333333 -0.0000000), wk = 0.0024814 k( 134) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0024814 k( 135) = ( 0.1166667 0.1166667 -0.0000000), wk = 0.0024814 k( 136) = ( 0.1083333 0.1083333 -0.0000000), wk = 0.0024814 k( 137) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0024814 k( 138) = ( 0.0916667 0.0916667 -0.0000000), wk = 0.0024814 k( 139) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0024814 k( 140) = ( 0.0750000 0.0750000 -0.0000000), wk = 0.0024814 k( 141) = ( 0.0666667 0.0666667 -0.0000000), wk = 0.0024814 k( 142) = ( 0.0583333 0.0583333 -0.0000000), wk = 0.0024814 k( 143) = ( 0.0500000 0.0500000 -0.0000000), wk = 0.0024814 k( 144) = ( 0.0416667 0.0416667 -0.0000000), wk = 0.0024814 k( 145) = ( 0.0333333 0.0333333 -0.0000000), wk = 0.0024814 k( 146) = ( 0.0250000 0.0250000 -0.0000000), wk = 0.0024814 k( 147) = ( 0.0166667 0.0166667 -0.0000000), wk = 0.0024814 k( 148) = ( 0.0083333 0.0083333 -0.0000000), wk = 0.0024814 k( 149) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024814 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024814 k( 151) = ( 0.0000000 0.0000000 0.0116129), wk = 0.0024814 k( 152) = ( 0.0000000 0.0000000 0.0232259), wk = 0.0024814 k( 153) = ( 0.0000000 0.0000000 0.0348388), wk = 0.0024814 k( 154) = ( 0.0000000 0.0000000 0.0464518), wk = 0.0024814 k( 155) = ( 0.0000000 0.0000000 0.0580647), wk = 0.0024814 k( 156) = ( 0.0000000 0.0000000 0.0696776), wk = 0.0024814 k( 157) = ( 0.0000000 0.0000000 0.0812906), wk = 0.0024814 k( 158) = ( 0.0000000 0.0000000 0.0929035), wk = 0.0024814 k( 159) = ( 0.0000000 0.0000000 0.1045164), wk = 0.0024814 k( 160) = ( 0.0000000 0.0000000 0.1161294), wk = 0.0024814 k( 161) = ( 0.0000000 0.0000000 0.1277423), wk = 0.0024814 k( 162) = ( 0.0000000 0.0000000 0.1393553), wk = 0.0024814 k( 163) = ( 0.0000000 0.0000000 0.1509682), wk = 0.0024814 k( 164) = ( 0.0000000 0.0000000 0.1625811), wk = 0.0024814 k( 165) = ( 0.0000000 0.0000000 0.1741941), wk = 0.0024814 k( 166) = ( 0.0000000 0.0000000 0.1858070), wk = 0.0024814 k( 167) = ( 0.0000000 0.0000000 0.1974199), wk = 0.0024814 k( 168) = ( 0.0000000 0.0000000 0.2090329), wk = 0.0024814 k( 169) = ( 0.0000000 0.0000000 0.2206458), wk = 0.0024814 k( 170) = ( 0.0000000 0.0000000 0.2322588), wk = 0.0024814 k( 171) = ( 0.0000000 0.0000000 0.2438717), wk = 0.0024814 k( 172) = ( 0.0000000 0.0000000 0.2554846), wk = 0.0024814 k( 173) = ( 0.0000000 0.0000000 0.2670976), wk = 0.0024814 k( 174) = ( 0.0000000 0.0000000 0.2787105), wk = 0.0024814 k( 175) = ( 0.0000000 0.0000000 0.2903234), wk = 0.0024814 k( 176) = ( 0.0000000 0.0000000 0.3019364), wk = 0.0024814 k( 177) = ( 0.0000000 0.0000000 0.3135493), wk = 0.0024814 k( 178) = ( 0.0000000 0.0000000 0.3251623), wk = 0.0024814 k( 179) = ( 0.0000000 0.0000000 0.3367752), wk = 0.0024814 k( 180) = ( 0.0000000 0.0000000 0.3483881), wk = 0.0024814 k( 181) = ( 0.0000000 0.0000000 0.3600011), wk = 0.0024814 k( 182) = ( 0.0000000 0.0000000 0.3716140), wk = 0.0024814 k( 183) = ( 0.0000000 0.0000000 0.3832269), wk = 0.0024814 k( 184) = ( 0.0000000 0.0000000 0.3948399), wk = 0.0024814 k( 185) = ( 0.0000000 0.0000000 0.3948399), wk = 0.0024814 k( 186) = ( 0.0000000 0.0116279 0.3948399), wk = 0.0024814 k( 187) = ( 0.0000000 0.0232558 0.3948399), wk = 0.0024814 k( 188) = ( 0.0000000 0.0348837 0.3948399), wk = 0.0024814 k( 189) = ( 0.0000000 0.0465116 0.3948399), wk = 0.0024814 k( 190) = ( 0.0000000 0.0581395 0.3948399), wk = 0.0024814 k( 191) = ( 0.0000000 0.0697674 0.3948399), wk = 0.0024814 k( 192) = ( 0.0000000 0.0813954 0.3948399), wk = 0.0024814 k( 193) = ( 0.0000000 0.0930233 0.3948399), wk = 0.0024814 k( 194) = ( 0.0000000 0.1046512 0.3948399), wk = 0.0024814 k( 195) = ( 0.0000000 0.1162791 0.3948399), wk = 0.0024814 k( 196) = ( 0.0000000 0.1279070 0.3948399), wk = 0.0024814 k( 197) = ( 0.0000000 0.1395349 0.3948399), wk = 0.0024814 k( 198) = ( 0.0000000 0.1511628 0.3948399), wk = 0.0024814 k( 199) = ( 0.0000000 0.1627907 0.3948399), wk = 0.0024814 k( 200) = ( 0.0000000 0.1744186 0.3948399), wk = 0.0024814 k( 201) = ( 0.0000000 0.1860465 0.3948399), wk = 0.0024814 k( 202) = ( 0.0000000 0.1976744 0.3948399), wk = 0.0024814 k( 203) = ( 0.0000000 0.2093023 0.3948399), wk = 0.0024814 k( 204) = ( 0.0000000 0.2209302 0.3948399), wk = 0.0024814 k( 205) = ( 0.0000000 0.2325581 0.3948399), wk = 0.0024814 k( 206) = ( 0.0000000 0.2441860 0.3948399), wk = 0.0024814 k( 207) = ( 0.0000000 0.2558140 0.3948399), wk = 0.0024814 k( 208) = ( 0.0000000 0.2674419 0.3948399), wk = 0.0024814 k( 209) = ( 0.0000000 0.2790698 0.3948399), wk = 0.0024814 k( 210) = ( 0.0000000 0.2906977 0.3948399), wk = 0.0024814 k( 211) = ( 0.0000000 0.3023256 0.3948399), wk = 0.0024814 k( 212) = ( 0.0000000 0.3139535 0.3948399), wk = 0.0024814 k( 213) = ( 0.0000000 0.3255814 0.3948399), wk = 0.0024814 k( 214) = ( 0.0000000 0.3372093 0.3948399), wk = 0.0024814 k( 215) = ( 0.0000000 0.3488372 0.3948399), wk = 0.0024814 k( 216) = ( 0.0000000 0.3604651 0.3948399), wk = 0.0024814 k( 217) = ( 0.0000000 0.3720930 0.3948399), wk = 0.0024814 k( 218) = ( 0.0000000 0.3837209 0.3948399), wk = 0.0024814 k( 219) = ( 0.0000000 0.3953488 0.3948399), wk = 0.0024814 k( 220) = ( 0.0000000 0.4069767 0.3948399), wk = 0.0024814 k( 221) = ( 0.0000000 0.4186047 0.3948399), wk = 0.0024814 k( 222) = ( 0.0000000 0.4302326 0.3948399), wk = 0.0024814 k( 223) = ( 0.0000000 0.4418605 0.3948399), wk = 0.0024814 k( 224) = ( 0.0000000 0.4534884 0.3948399), wk = 0.0024814 k( 225) = ( 0.0000000 0.4651163 0.3948399), wk = 0.0024814 k( 226) = ( 0.0000000 0.4767442 0.3948399), wk = 0.0024814 k( 227) = ( 0.0000000 0.4883721 0.3948399), wk = 0.0024814 k( 228) = ( 0.0000000 0.5000000 0.3948399), wk = 0.0024814 k( 229) = ( 0.0000000 0.5000000 0.3948399), wk = 0.0024814 k( 230) = ( 0.0116279 0.5000000 0.3948399), wk = 0.0024814 k( 231) = ( 0.0232558 0.5000000 0.3948399), wk = 0.0024814 k( 232) = ( 0.0348837 0.5000000 0.3948399), wk = 0.0024814 k( 233) = ( 0.0465116 0.5000000 0.3948399), wk = 0.0024814 k( 234) = ( 0.0581395 0.5000000 0.3948399), wk = 0.0024814 k( 235) = ( 0.0697674 0.5000000 0.3948399), wk = 0.0024814 k( 236) = ( 0.0813954 0.5000000 0.3948399), wk = 0.0024814 k( 237) = ( 0.0930233 0.5000000 0.3948399), wk = 0.0024814 k( 238) = ( 0.1046512 0.5000000 0.3948399), wk = 0.0024814 k( 239) = ( 0.1162791 0.5000000 0.3948399), wk = 0.0024814 k( 240) = ( 0.1279070 0.5000000 0.3948399), wk = 0.0024814 k( 241) = ( 0.1395349 0.5000000 0.3948399), wk = 0.0024814 k( 242) = ( 0.1511628 0.5000000 0.3948399), wk = 0.0024814 k( 243) = ( 0.1627907 0.5000000 0.3948399), wk = 0.0024814 k( 244) = ( 0.1744186 0.5000000 0.3948399), wk = 0.0024814 k( 245) = ( 0.1860465 0.5000000 0.3948399), wk = 0.0024814 k( 246) = ( 0.1976744 0.5000000 0.3948399), wk = 0.0024814 k( 247) = ( 0.2093023 0.5000000 0.3948399), wk = 0.0024814 k( 248) = ( 0.2209302 0.5000000 0.3948399), wk = 0.0024814 k( 249) = ( 0.2325581 0.5000000 0.3948399), wk = 0.0024814 k( 250) = ( 0.2441860 0.5000000 0.3948399), wk = 0.0024814 k( 251) = ( 0.2558140 0.5000000 0.3948399), wk = 0.0024814 k( 252) = ( 0.2674419 0.5000000 0.3948399), wk = 0.0024814 k( 253) = ( 0.2790698 0.5000000 0.3948399), wk = 0.0024814 k( 254) = ( 0.2906977 0.5000000 0.3948399), wk = 0.0024814 k( 255) = ( 0.3023256 0.5000000 0.3948399), wk = 0.0024814 k( 256) = ( 0.3139535 0.5000000 0.3948399), wk = 0.0024814 k( 257) = ( 0.3255814 0.5000000 0.3948399), wk = 0.0024814 k( 258) = ( 0.3372093 0.5000000 0.3948399), wk = 0.0024814 k( 259) = ( 0.3488372 0.5000000 0.3948399), wk = 0.0024814 k( 260) = ( 0.3604651 0.5000000 0.3948399), wk = 0.0024814 k( 261) = ( 0.3720930 0.5000000 0.3948399), wk = 0.0024814 k( 262) = ( 0.3837209 0.5000000 0.3948399), wk = 0.0024814 k( 263) = ( 0.3953488 0.5000000 0.3948399), wk = 0.0024814 k( 264) = ( 0.4069767 0.5000000 0.3948399), wk = 0.0024814 k( 265) = ( 0.4186047 0.5000000 0.3948399), wk = 0.0024814 k( 266) = ( 0.4302326 0.5000000 0.3948399), wk = 0.0024814 k( 267) = ( 0.4418605 0.5000000 0.3948399), wk = 0.0024814 k( 268) = ( 0.4534884 0.5000000 0.3948399), wk = 0.0024814 k( 269) = ( 0.4651163 0.5000000 0.3948399), wk = 0.0024814 k( 270) = ( 0.4767442 0.5000000 0.3948399), wk = 0.0024814 k( 271) = ( 0.4883721 0.5000000 0.3948399), wk = 0.0024814 k( 272) = ( 0.5000000 0.5000000 0.3948399), wk = 0.0024814 k( 273) = ( 0.5000000 0.5000000 0.3948399), wk = 0.0024814 k( 274) = ( 0.4916667 0.4916667 0.3948399), wk = 0.0024814 k( 275) = ( 0.4833333 0.4833333 0.3948399), wk = 0.0024814 k( 276) = ( 0.4750000 0.4750000 0.3948399), wk = 0.0024814 k( 277) = ( 0.4666667 0.4666667 0.3948399), wk = 0.0024814 k( 278) = ( 0.4583333 0.4583333 0.3948399), wk = 0.0024814 k( 279) = ( 0.4500000 0.4500000 0.3948399), wk = 0.0024814 k( 280) = ( 0.4416667 0.4416667 0.3948399), wk = 0.0024814 k( 281) = ( 0.4333333 0.4333333 0.3948399), wk = 0.0024814 k( 282) = ( 0.4250000 0.4250000 0.3948399), wk = 0.0024814 k( 283) = ( 0.4166667 0.4166667 0.3948399), wk = 0.0024814 k( 284) = ( 0.4083333 0.4083333 0.3948399), wk = 0.0024814 k( 285) = ( 0.4000000 0.4000000 0.3948399), wk = 0.0024814 k( 286) = ( 0.3916667 0.3916667 0.3948399), wk = 0.0024814 k( 287) = ( 0.3833333 0.3833333 0.3948399), wk = 0.0024814 k( 288) = ( 0.3750000 0.3750000 0.3948399), wk = 0.0024814 k( 289) = ( 0.3666667 0.3666667 0.3948399), wk = 0.0024814 k( 290) = ( 0.3583333 0.3583333 0.3948399), wk = 0.0024814 k( 291) = ( 0.3500000 0.3500000 0.3948399), wk = 0.0024814 k( 292) = ( 0.3416667 0.3416667 0.3948399), wk = 0.0024814 k( 293) = ( 0.3333333 0.3333333 0.3948399), wk = 0.0024814 k( 294) = ( 0.3250000 0.3250000 0.3948399), wk = 0.0024814 k( 295) = ( 0.3166667 0.3166667 0.3948399), wk = 0.0024814 k( 296) = ( 0.3083333 0.3083333 0.3948399), wk = 0.0024814 k( 297) = ( 0.3000000 0.3000000 0.3948399), wk = 0.0024814 k( 298) = ( 0.2916667 0.2916667 0.3948399), wk = 0.0024814 k( 299) = ( 0.2833333 0.2833333 0.3948399), wk = 0.0024814 k( 300) = ( 0.2750000 0.2750000 0.3948399), wk = 0.0024814 k( 301) = ( 0.2666667 0.2666667 0.3948399), wk = 0.0024814 k( 302) = ( 0.2583333 0.2583333 0.3948399), wk = 0.0024814 k( 303) = ( 0.2500000 0.2500000 0.3948399), wk = 0.0024814 k( 304) = ( 0.2416667 0.2416667 0.3948399), wk = 0.0024814 k( 305) = ( 0.2333333 0.2333333 0.3948399), wk = 0.0024814 k( 306) = ( 0.2250000 0.2250000 0.3948399), wk = 0.0024814 k( 307) = ( 0.2166667 0.2166667 0.3948399), wk = 0.0024814 k( 308) = ( 0.2083333 0.2083333 0.3948399), wk = 0.0024814 k( 309) = ( 0.2000000 0.2000000 0.3948399), wk = 0.0024814 k( 310) = ( 0.1916667 0.1916667 0.3948399), wk = 0.0024814 k( 311) = ( 0.1833333 0.1833333 0.3948399), wk = 0.0024814 k( 312) = ( 0.1750000 0.1750000 0.3948399), wk = 0.0024814 k( 313) = ( 0.1666667 0.1666667 0.3948399), wk = 0.0024814 k( 314) = ( 0.1583333 0.1583333 0.3948399), wk = 0.0024814 k( 315) = ( 0.1500000 0.1500000 0.3948399), wk = 0.0024814 k( 316) = ( 0.1416667 0.1416667 0.3948399), wk = 0.0024814 k( 317) = ( 0.1333333 0.1333333 0.3948399), wk = 0.0024814 k( 318) = ( 0.1250000 0.1250000 0.3948399), wk = 0.0024814 k( 319) = ( 0.1166667 0.1166667 0.3948399), wk = 0.0024814 k( 320) = ( 0.1083333 0.1083333 0.3948399), wk = 0.0024814 k( 321) = ( 0.1000000 0.1000000 0.3948399), wk = 0.0024814 k( 322) = ( 0.0916667 0.0916667 0.3948399), wk = 0.0024814 k( 323) = ( 0.0833333 0.0833333 0.3948399), wk = 0.0024814 k( 324) = ( 0.0750000 0.0750000 0.3948399), wk = 0.0024814 k( 325) = ( 0.0666667 0.0666667 0.3948399), wk = 0.0024814 k( 326) = ( 0.0583333 0.0583333 0.3948399), wk = 0.0024814 k( 327) = ( 0.0500000 0.0500000 0.3948399), wk = 0.0024814 k( 328) = ( 0.0416667 0.0416667 0.3948399), wk = 0.0024814 k( 329) = ( 0.0333333 0.0333333 0.3948399), wk = 0.0024814 k( 330) = ( 0.0250000 0.0250000 0.3948399), wk = 0.0024814 k( 331) = ( 0.0166667 0.0166667 0.3948399), wk = 0.0024814 k( 332) = ( 0.0083333 0.0083333 0.3948399), wk = 0.0024814 k( 333) = ( 0.0000000 0.0000000 0.3948399), wk = 0.0024814 k( 334) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0024814 k( 335) = ( 0.0000000 0.5000000 0.0116129), wk = 0.0024814 k( 336) = ( 0.0000000 0.5000000 0.0232259), wk = 0.0024814 k( 337) = ( 0.0000000 0.5000000 0.0348388), wk = 0.0024814 k( 338) = ( 0.0000000 0.5000000 0.0464518), wk = 0.0024814 k( 339) = ( 0.0000000 0.5000000 0.0580647), wk = 0.0024814 k( 340) = ( 0.0000000 0.5000000 0.0696776), wk = 0.0024814 k( 341) = ( 0.0000000 0.5000000 0.0812906), wk = 0.0024814 k( 342) = ( 0.0000000 0.5000000 0.0929035), wk = 0.0024814 k( 343) = ( 0.0000000 0.5000000 0.1045164), wk = 0.0024814 k( 344) = ( 0.0000000 0.5000000 0.1161294), wk = 0.0024814 k( 345) = ( 0.0000000 0.5000000 0.1277423), wk = 0.0024814 k( 346) = ( 0.0000000 0.5000000 0.1393553), wk = 0.0024814 k( 347) = ( 0.0000000 0.5000000 0.1509682), wk = 0.0024814 k( 348) = ( 0.0000000 0.5000000 0.1625811), wk = 0.0024814 k( 349) = ( 0.0000000 0.5000000 0.1741941), wk = 0.0024814 k( 350) = ( 0.0000000 0.5000000 0.1858070), wk = 0.0024814 k( 351) = ( 0.0000000 0.5000000 0.1974199), wk = 0.0024814 k( 352) = ( 0.0000000 0.5000000 0.2090329), wk = 0.0024814 k( 353) = ( 0.0000000 0.5000000 0.2206458), wk = 0.0024814 k( 354) = ( 0.0000000 0.5000000 0.2322588), wk = 0.0024814 k( 355) = ( 0.0000000 0.5000000 0.2438717), wk = 0.0024814 k( 356) = ( 0.0000000 0.5000000 0.2554846), wk = 0.0024814 k( 357) = ( 0.0000000 0.5000000 0.2670976), wk = 0.0024814 k( 358) = ( 0.0000000 0.5000000 0.2787105), wk = 0.0024814 k( 359) = ( 0.0000000 0.5000000 0.2903234), wk = 0.0024814 k( 360) = ( 0.0000000 0.5000000 0.3019364), wk = 0.0024814 k( 361) = ( 0.0000000 0.5000000 0.3135493), wk = 0.0024814 k( 362) = ( 0.0000000 0.5000000 0.3251623), wk = 0.0024814 k( 363) = ( 0.0000000 0.5000000 0.3367752), wk = 0.0024814 k( 364) = ( 0.0000000 0.5000000 0.3483881), wk = 0.0024814 k( 365) = ( 0.0000000 0.5000000 0.3600011), wk = 0.0024814 k( 366) = ( 0.0000000 0.5000000 0.3716140), wk = 0.0024814 k( 367) = ( 0.0000000 0.5000000 0.3832269), wk = 0.0024814 k( 368) = ( 0.0000000 0.5000000 0.3948399), wk = 0.0024814 k( 369) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0024814 k( 370) = ( 0.5000000 0.5000000 0.0116129), wk = 0.0024814 k( 371) = ( 0.5000000 0.5000000 0.0232259), wk = 0.0024814 k( 372) = ( 0.5000000 0.5000000 0.0348388), wk = 0.0024814 k( 373) = ( 0.5000000 0.5000000 0.0464518), wk = 0.0024814 k( 374) = ( 0.5000000 0.5000000 0.0580647), wk = 0.0024814 k( 375) = ( 0.5000000 0.5000000 0.0696776), wk = 0.0024814 k( 376) = ( 0.5000000 0.5000000 0.0812906), wk = 0.0024814 k( 377) = ( 0.5000000 0.5000000 0.0929035), wk = 0.0024814 k( 378) = ( 0.5000000 0.5000000 0.1045164), wk = 0.0024814 k( 379) = ( 0.5000000 0.5000000 0.1161294), wk = 0.0024814 k( 380) = ( 0.5000000 0.5000000 0.1277423), wk = 0.0024814 k( 381) = ( 0.5000000 0.5000000 0.1393553), wk = 0.0024814 k( 382) = ( 0.5000000 0.5000000 0.1509682), wk = 0.0024814 k( 383) = ( 0.5000000 0.5000000 0.1625811), wk = 0.0024814 k( 384) = ( 0.5000000 0.5000000 0.1741941), wk = 0.0024814 k( 385) = ( 0.5000000 0.5000000 0.1858070), wk = 0.0024814 k( 386) = ( 0.5000000 0.5000000 0.1974199), wk = 0.0024814 k( 387) = ( 0.5000000 0.5000000 0.2090329), wk = 0.0024814 k( 388) = ( 0.5000000 0.5000000 0.2206458), wk = 0.0024814 k( 389) = ( 0.5000000 0.5000000 0.2322588), wk = 0.0024814 k( 390) = ( 0.5000000 0.5000000 0.2438717), wk = 0.0024814 k( 391) = ( 0.5000000 0.5000000 0.2554846), wk = 0.0024814 k( 392) = ( 0.5000000 0.5000000 0.2670976), wk = 0.0024814 k( 393) = ( 0.5000000 0.5000000 0.2787105), wk = 0.0024814 k( 394) = ( 0.5000000 0.5000000 0.2903234), wk = 0.0024814 k( 395) = ( 0.5000000 0.5000000 0.3019364), wk = 0.0024814 k( 396) = ( 0.5000000 0.5000000 0.3135493), wk = 0.0024814 k( 397) = ( 0.5000000 0.5000000 0.3251623), wk = 0.0024814 k( 398) = ( 0.5000000 0.5000000 0.3367752), wk = 0.0024814 k( 399) = ( 0.5000000 0.5000000 0.3483881), wk = 0.0024814 k( 400) = ( 0.5000000 0.5000000 0.3600011), wk = 0.0024814 k( 401) = ( 0.5000000 0.5000000 0.3716140), wk = 0.0024814 k( 402) = ( 0.5000000 0.5000000 0.3832269), wk = 0.0024814 k( 403) = ( 0.5000000 0.5000000 0.3948399), wk = 0.0024814 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024814 k( 2) = ( 0.0000000 0.0116279 -0.0000000), wk = 0.0024814 k( 3) = ( 0.0000000 0.0232558 0.0000000), wk = 0.0024814 k( 4) = ( 0.0000000 0.0348837 -0.0000000), wk = 0.0024814 k( 5) = ( 0.0000000 0.0465116 -0.0000000), wk = 0.0024814 k( 6) = ( 0.0000000 0.0581395 -0.0000000), wk = 0.0024814 k( 7) = ( 0.0000000 0.0697674 -0.0000000), wk = 0.0024814 k( 8) = ( 0.0000000 0.0813954 0.0000000), wk = 0.0024814 k( 9) = ( 0.0000000 0.0930233 -0.0000000), wk = 0.0024814 k( 10) = ( 0.0000000 0.1046512 -0.0000000), wk = 0.0024814 k( 11) = ( 0.0000000 0.1162791 0.0000000), wk = 0.0024814 k( 12) = ( 0.0000000 0.1279070 0.0000000), wk = 0.0024814 k( 13) = ( 0.0000000 0.1395349 -0.0000000), wk = 0.0024814 k( 14) = ( 0.0000000 0.1511628 -0.0000000), wk = 0.0024814 k( 15) = ( 0.0000000 0.1627907 0.0000000), wk = 0.0024814 k( 16) = ( 0.0000000 0.1744186 0.0000000), wk = 0.0024814 k( 17) = ( 0.0000000 0.1860465 -0.0000000), wk = 0.0024814 k( 18) = ( 0.0000000 0.1976744 0.0000000), wk = 0.0024814 k( 19) = ( 0.0000000 0.2093023 -0.0000000), wk = 0.0024814 k( 20) = ( 0.0000000 0.2209302 -0.0000000), wk = 0.0024814 k( 21) = ( 0.0000000 0.2325581 0.0000000), wk = 0.0024814 k( 22) = ( 0.0000000 0.2441860 -0.0000000), wk = 0.0024814 k( 23) = ( 0.0000000 0.2558140 0.0000000), wk = 0.0024814 k( 24) = ( 0.0000000 0.2674419 0.0000000), wk = 0.0024814 k( 25) = ( 0.0000000 0.2790698 -0.0000000), wk = 0.0024814 k( 26) = ( 0.0000000 0.2906977 -0.0000000), wk = 0.0024814 k( 27) = ( 0.0000000 0.3023256 -0.0000000), wk = 0.0024814 k( 28) = ( 0.0000000 0.3139535 -0.0000000), wk = 0.0024814 k( 29) = ( 0.0000000 0.3255814 0.0000000), wk = 0.0024814 k( 30) = ( 0.0000000 0.3372093 0.0000000), wk = 0.0024814 k( 31) = ( 0.0000000 0.3488372 -0.0000000), wk = 0.0024814 k( 32) = ( 0.0000000 0.3604651 -0.0000000), wk = 0.0024814 k( 33) = ( 0.0000000 0.3720930 -0.0000000), wk = 0.0024814 k( 34) = ( 0.0000000 0.3837209 -0.0000000), wk = 0.0024814 k( 35) = ( 0.0000000 0.3953488 0.0000000), wk = 0.0024814 k( 36) = ( 0.0000000 0.4069767 0.0000000), wk = 0.0024814 k( 37) = ( 0.0000000 0.4186047 0.0000000), wk = 0.0024814 k( 38) = ( 0.0000000 0.4302326 -0.0000000), wk = 0.0024814 k( 39) = ( 0.0000000 0.4418605 -0.0000000), wk = 0.0024814 k( 40) = ( 0.0000000 0.4534884 -0.0000000), wk = 0.0024814 k( 41) = ( 0.0000000 0.4651163 0.0000000), wk = 0.0024814 k( 42) = ( 0.0000000 0.4767442 -0.0000000), wk = 0.0024814 k( 43) = ( 0.0000000 0.4883721 -0.0000000), wk = 0.0024814 k( 44) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0024814 k( 45) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0024814 k( 46) = ( 0.0116279 0.5000000 -0.0000000), wk = 0.0024814 k( 47) = ( 0.0232558 0.5000000 0.0000000), wk = 0.0024814 k( 48) = ( 0.0348837 0.5000000 0.0000000), wk = 0.0024814 k( 49) = ( 0.0465116 0.5000000 0.0000000), wk = 0.0024814 k( 50) = ( 0.0581395 0.5000000 0.0000000), wk = 0.0024814 k( 51) = ( 0.0697674 0.5000000 -0.0000000), wk = 0.0024814 k( 52) = ( 0.0813954 0.5000000 0.0000000), wk = 0.0024814 k( 53) = ( 0.0930233 0.5000000 -0.0000000), wk = 0.0024814 k( 54) = ( 0.1046512 0.5000000 -0.0000000), wk = 0.0024814 k( 55) = ( 0.1162791 0.5000000 0.0000000), wk = 0.0024814 k( 56) = ( 0.1279070 0.5000000 -0.0000000), wk = 0.0024814 k( 57) = ( 0.1395349 0.5000000 0.0000000), wk = 0.0024814 k( 58) = ( 0.1511628 0.5000000 0.0000000), wk = 0.0024814 k( 59) = ( 0.1627907 0.5000000 0.0000000), wk = 0.0024814 k( 60) = ( 0.1744186 0.5000000 0.0000000), wk = 0.0024814 k( 61) = ( 0.1860465 0.5000000 -0.0000000), wk = 0.0024814 k( 62) = ( 0.1976744 0.5000000 0.0000000), wk = 0.0024814 k( 63) = ( 0.2093023 0.5000000 0.0000000), wk = 0.0024814 k( 64) = ( 0.2209302 0.5000000 0.0000000), wk = 0.0024814 k( 65) = ( 0.2325581 0.5000000 0.0000000), wk = 0.0024814 k( 66) = ( 0.2441860 0.5000000 0.0000000), wk = 0.0024814 k( 67) = ( 0.2558140 0.5000000 0.0000000), wk = 0.0024814 k( 68) = ( 0.2674419 0.5000000 0.0000000), wk = 0.0024814 k( 69) = ( 0.2790698 0.5000000 -0.0000000), wk = 0.0024814 k( 70) = ( 0.2906977 0.5000000 0.0000000), wk = 0.0024814 k( 71) = ( 0.3023256 0.5000000 -0.0000000), wk = 0.0024814 k( 72) = ( 0.3139535 0.5000000 -0.0000000), wk = 0.0024814 k( 73) = ( 0.3255814 0.5000000 -0.0000000), wk = 0.0024814 k( 74) = ( 0.3372093 0.5000000 -0.0000000), wk = 0.0024814 k( 75) = ( 0.3488372 0.5000000 0.0000000), wk = 0.0024814 k( 76) = ( 0.3604651 0.5000000 0.0000000), wk = 0.0024814 k( 77) = ( 0.3720930 0.5000000 -0.0000000), wk = 0.0024814 k( 78) = ( 0.3837209 0.5000000 0.0000000), wk = 0.0024814 k( 79) = ( 0.3953488 0.5000000 0.0000000), wk = 0.0024814 k( 80) = ( 0.4069767 0.5000000 -0.0000000), wk = 0.0024814 k( 81) = ( 0.4186047 0.5000000 -0.0000000), wk = 0.0024814 k( 82) = ( 0.4302326 0.5000000 -0.0000000), wk = 0.0024814 k( 83) = ( 0.4418605 0.5000000 0.0000000), wk = 0.0024814 k( 84) = ( 0.4534884 0.5000000 0.0000000), wk = 0.0024814 k( 85) = ( 0.4651163 0.5000000 -0.0000000), wk = 0.0024814 k( 86) = ( 0.4767442 0.5000000 -0.0000000), wk = 0.0024814 k( 87) = ( 0.4883721 0.5000000 -0.0000000), wk = 0.0024814 k( 88) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0024814 k( 89) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0024814 k( 90) = ( 0.4916667 0.4916667 0.0000000), wk = 0.0024814 k( 91) = ( 0.4833333 0.4833333 0.0000000), wk = 0.0024814 k( 92) = ( 0.4750000 0.4750000 0.0000000), wk = 0.0024814 k( 93) = ( 0.4666667 0.4666667 0.0000000), wk = 0.0024814 k( 94) = ( 0.4583333 0.4583333 -0.0000000), wk = 0.0024814 k( 95) = ( 0.4500000 0.4500000 0.0000000), wk = 0.0024814 k( 96) = ( 0.4416667 0.4416667 -0.0000000), wk = 0.0024814 k( 97) = ( 0.4333333 0.4333333 0.0000000), wk = 0.0024814 k( 98) = ( 0.4250000 0.4250000 0.0000000), wk = 0.0024814 k( 99) = ( 0.4166667 0.4166667 0.0000000), wk = 0.0024814 k( 100) = ( 0.4083333 0.4083333 0.0000000), wk = 0.0024814 k( 101) = ( 0.4000000 0.4000000 0.0000000), wk = 0.0024814 k( 102) = ( 0.3916667 0.3916667 0.0000000), wk = 0.0024814 k( 103) = ( 0.3833333 0.3833333 -0.0000000), wk = 0.0024814 k( 104) = ( 0.3750000 0.3750000 0.0000000), wk = 0.0024814 k( 105) = ( 0.3666667 0.3666667 0.0000000), wk = 0.0024814 k( 106) = ( 0.3583333 0.3583333 0.0000000), wk = 0.0024814 k( 107) = ( 0.3500000 0.3500000 0.0000000), wk = 0.0024814 k( 108) = ( 0.3416667 0.3416667 0.0000000), wk = 0.0024814 k( 109) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0024814 k( 110) = ( 0.3250000 0.3250000 0.0000000), wk = 0.0024814 k( 111) = ( 0.3166667 0.3166667 0.0000000), wk = 0.0024814 k( 112) = ( 0.3083333 0.3083333 0.0000000), wk = 0.0024814 k( 113) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0024814 k( 114) = ( 0.2916667 0.2916667 0.0000000), wk = 0.0024814 k( 115) = ( 0.2833333 0.2833333 0.0000000), wk = 0.0024814 k( 116) = ( 0.2750000 0.2750000 0.0000000), wk = 0.0024814 k( 117) = ( 0.2666667 0.2666667 0.0000000), wk = 0.0024814 k( 118) = ( 0.2583333 0.2583333 -0.0000000), wk = 0.0024814 k( 119) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0024814 k( 120) = ( 0.2416667 0.2416667 0.0000000), wk = 0.0024814 k( 121) = ( 0.2333333 0.2333333 0.0000000), wk = 0.0024814 k( 122) = ( 0.2250000 0.2250000 0.0000000), wk = 0.0024814 k( 123) = ( 0.2166667 0.2166667 0.0000000), wk = 0.0024814 k( 124) = ( 0.2083333 0.2083333 -0.0000000), wk = 0.0024814 k( 125) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0024814 k( 126) = ( 0.1916667 0.1916667 0.0000000), wk = 0.0024814 k( 127) = ( 0.1833333 0.1833333 0.0000000), wk = 0.0024814 k( 128) = ( 0.1750000 0.1750000 0.0000000), wk = 0.0024814 k( 129) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0024814 k( 130) = ( 0.1583333 0.1583333 0.0000000), wk = 0.0024814 k( 131) = ( 0.1500000 0.1500000 0.0000000), wk = 0.0024814 k( 132) = ( 0.1416667 0.1416667 0.0000000), wk = 0.0024814 k( 133) = ( 0.1333333 0.1333333 0.0000000), wk = 0.0024814 k( 134) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0024814 k( 135) = ( 0.1166667 0.1166667 -0.0000000), wk = 0.0024814 k( 136) = ( 0.1083333 0.1083333 0.0000000), wk = 0.0024814 k( 137) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0024814 k( 138) = ( 0.0916667 0.0916667 0.0000000), wk = 0.0024814 k( 139) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0024814 k( 140) = ( 0.0750000 0.0750000 0.0000000), wk = 0.0024814 k( 141) = ( 0.0666667 0.0666667 0.0000000), wk = 0.0024814 k( 142) = ( 0.0583333 0.0583333 0.0000000), wk = 0.0024814 k( 143) = ( 0.0500000 0.0500000 0.0000000), wk = 0.0024814 k( 144) = ( 0.0416667 0.0416667 0.0000000), wk = 0.0024814 k( 145) = ( 0.0333333 0.0333333 0.0000000), wk = 0.0024814 k( 146) = ( 0.0250000 0.0250000 0.0000000), wk = 0.0024814 k( 147) = ( 0.0166667 0.0166667 0.0000000), wk = 0.0024814 k( 148) = ( 0.0083333 0.0083333 0.0000000), wk = 0.0024814 k( 149) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024814 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024814 k( 151) = ( 0.0000000 0.0000000 0.0147059), wk = 0.0024814 k( 152) = ( 0.0000000 0.0000000 0.0294118), wk = 0.0024814 k( 153) = ( 0.0000000 0.0000000 0.0441177), wk = 0.0024814 k( 154) = ( 0.0000000 0.0000000 0.0588235), wk = 0.0024814 k( 155) = ( 0.0000000 0.0000000 0.0735294), wk = 0.0024814 k( 156) = ( 0.0000000 0.0000000 0.0882353), wk = 0.0024814 k( 157) = ( 0.0000000 0.0000000 0.1029412), wk = 0.0024814 k( 158) = ( 0.0000000 0.0000000 0.1176471), wk = 0.0024814 k( 159) = ( 0.0000000 0.0000000 0.1323529), wk = 0.0024814 k( 160) = ( 0.0000000 0.0000000 0.1470588), wk = 0.0024814 k( 161) = ( 0.0000000 0.0000000 0.1617647), wk = 0.0024814 k( 162) = ( 0.0000000 0.0000000 0.1764706), wk = 0.0024814 k( 163) = ( 0.0000000 0.0000000 0.1911765), wk = 0.0024814 k( 164) = ( 0.0000000 0.0000000 0.2058823), wk = 0.0024814 k( 165) = ( 0.0000000 0.0000000 0.2205882), wk = 0.0024814 k( 166) = ( 0.0000000 0.0000000 0.2352941), wk = 0.0024814 k( 167) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0024814 k( 168) = ( 0.0000000 0.0000000 0.2647059), wk = 0.0024814 k( 169) = ( 0.0000000 0.0000000 0.2794118), wk = 0.0024814 k( 170) = ( 0.0000000 0.0000000 0.2941177), wk = 0.0024814 k( 171) = ( 0.0000000 0.0000000 0.3088235), wk = 0.0024814 k( 172) = ( 0.0000000 0.0000000 0.3235294), wk = 0.0024814 k( 173) = ( 0.0000000 0.0000000 0.3382353), wk = 0.0024814 k( 174) = ( 0.0000000 0.0000000 0.3529412), wk = 0.0024814 k( 175) = ( 0.0000000 0.0000000 0.3676471), wk = 0.0024814 k( 176) = ( 0.0000000 0.0000000 0.3823529), wk = 0.0024814 k( 177) = ( 0.0000000 0.0000000 0.3970588), wk = 0.0024814 k( 178) = ( 0.0000000 0.0000000 0.4117647), wk = 0.0024814 k( 179) = ( 0.0000000 0.0000000 0.4264706), wk = 0.0024814 k( 180) = ( 0.0000000 0.0000000 0.4411765), wk = 0.0024814 k( 181) = ( 0.0000000 0.0000000 0.4558823), wk = 0.0024814 k( 182) = ( 0.0000000 0.0000000 0.4705882), wk = 0.0024814 k( 183) = ( 0.0000000 0.0000000 0.4852941), wk = 0.0024814 k( 184) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024814 k( 185) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024814 k( 186) = ( 0.0000000 0.0116279 0.5000000), wk = 0.0024814 k( 187) = ( 0.0000000 0.0232558 0.5000000), wk = 0.0024814 k( 188) = ( 0.0000000 0.0348837 0.5000000), wk = 0.0024814 k( 189) = ( 0.0000000 0.0465116 0.5000000), wk = 0.0024814 k( 190) = ( 0.0000000 0.0581395 0.5000000), wk = 0.0024814 k( 191) = ( 0.0000000 0.0697674 0.5000000), wk = 0.0024814 k( 192) = ( 0.0000000 0.0813954 0.5000000), wk = 0.0024814 k( 193) = ( 0.0000000 0.0930233 0.5000000), wk = 0.0024814 k( 194) = ( 0.0000000 0.1046512 0.5000000), wk = 0.0024814 k( 195) = ( 0.0000000 0.1162791 0.5000000), wk = 0.0024814 k( 196) = ( 0.0000000 0.1279070 0.5000000), wk = 0.0024814 k( 197) = ( 0.0000000 0.1395349 0.5000000), wk = 0.0024814 k( 198) = ( 0.0000000 0.1511628 0.5000000), wk = 0.0024814 k( 199) = ( 0.0000000 0.1627907 0.5000000), wk = 0.0024814 k( 200) = ( 0.0000000 0.1744186 0.5000000), wk = 0.0024814 k( 201) = ( 0.0000000 0.1860465 0.5000000), wk = 0.0024814 k( 202) = ( 0.0000000 0.1976744 0.5000000), wk = 0.0024814 k( 203) = ( 0.0000000 0.2093023 0.5000000), wk = 0.0024814 k( 204) = ( 0.0000000 0.2209302 0.5000000), wk = 0.0024814 k( 205) = ( 0.0000000 0.2325581 0.5000000), wk = 0.0024814 k( 206) = ( 0.0000000 0.2441860 0.5000000), wk = 0.0024814 k( 207) = ( 0.0000000 0.2558140 0.5000000), wk = 0.0024814 k( 208) = ( 0.0000000 0.2674419 0.5000000), wk = 0.0024814 k( 209) = ( 0.0000000 0.2790698 0.5000000), wk = 0.0024814 k( 210) = ( 0.0000000 0.2906977 0.5000000), wk = 0.0024814 k( 211) = ( 0.0000000 0.3023256 0.5000000), wk = 0.0024814 k( 212) = ( 0.0000000 0.3139535 0.5000000), wk = 0.0024814 k( 213) = ( 0.0000000 0.3255814 0.5000000), wk = 0.0024814 k( 214) = ( 0.0000000 0.3372093 0.5000000), wk = 0.0024814 k( 215) = ( 0.0000000 0.3488372 0.5000000), wk = 0.0024814 k( 216) = ( 0.0000000 0.3604651 0.5000000), wk = 0.0024814 k( 217) = ( 0.0000000 0.3720930 0.5000000), wk = 0.0024814 k( 218) = ( 0.0000000 0.3837209 0.5000000), wk = 0.0024814 k( 219) = ( 0.0000000 0.3953488 0.5000000), wk = 0.0024814 k( 220) = ( 0.0000000 0.4069767 0.5000000), wk = 0.0024814 k( 221) = ( 0.0000000 0.4186047 0.5000000), wk = 0.0024814 k( 222) = ( 0.0000000 0.4302326 0.5000000), wk = 0.0024814 k( 223) = ( 0.0000000 0.4418605 0.5000000), wk = 0.0024814 k( 224) = ( 0.0000000 0.4534884 0.5000000), wk = 0.0024814 k( 225) = ( 0.0000000 0.4651163 0.5000000), wk = 0.0024814 k( 226) = ( 0.0000000 0.4767442 0.5000000), wk = 0.0024814 k( 227) = ( 0.0000000 0.4883721 0.5000000), wk = 0.0024814 k( 228) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0024814 k( 229) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0024814 k( 230) = ( 0.0116279 0.5000000 0.5000000), wk = 0.0024814 k( 231) = ( 0.0232558 0.5000000 0.5000000), wk = 0.0024814 k( 232) = ( 0.0348837 0.5000000 0.5000000), wk = 0.0024814 k( 233) = ( 0.0465116 0.5000000 0.5000000), wk = 0.0024814 k( 234) = ( 0.0581395 0.5000000 0.5000000), wk = 0.0024814 k( 235) = ( 0.0697674 0.5000000 0.5000000), wk = 0.0024814 k( 236) = ( 0.0813954 0.5000000 0.5000000), wk = 0.0024814 k( 237) = ( 0.0930233 0.5000000 0.5000000), wk = 0.0024814 k( 238) = ( 0.1046512 0.5000000 0.5000000), wk = 0.0024814 k( 239) = ( 0.1162791 0.5000000 0.5000000), wk = 0.0024814 k( 240) = ( 0.1279070 0.5000000 0.5000000), wk = 0.0024814 k( 241) = ( 0.1395349 0.5000000 0.5000000), wk = 0.0024814 k( 242) = ( 0.1511628 0.5000000 0.5000000), wk = 0.0024814 k( 243) = ( 0.1627907 0.5000000 0.5000000), wk = 0.0024814 k( 244) = ( 0.1744186 0.5000000 0.5000000), wk = 0.0024814 k( 245) = ( 0.1860465 0.5000000 0.5000000), wk = 0.0024814 k( 246) = ( 0.1976744 0.5000000 0.5000000), wk = 0.0024814 k( 247) = ( 0.2093023 0.5000000 0.5000000), wk = 0.0024814 k( 248) = ( 0.2209302 0.5000000 0.5000000), wk = 0.0024814 k( 249) = ( 0.2325581 0.5000000 0.5000000), wk = 0.0024814 k( 250) = ( 0.2441860 0.5000000 0.5000000), wk = 0.0024814 k( 251) = ( 0.2558140 0.5000000 0.5000000), wk = 0.0024814 k( 252) = ( 0.2674419 0.5000000 0.5000000), wk = 0.0024814 k( 253) = ( 0.2790698 0.5000000 0.5000000), wk = 0.0024814 k( 254) = ( 0.2906977 0.5000000 0.5000000), wk = 0.0024814 k( 255) = ( 0.3023256 0.5000000 0.5000000), wk = 0.0024814 k( 256) = ( 0.3139535 0.5000000 0.5000000), wk = 0.0024814 k( 257) = ( 0.3255814 0.5000000 0.5000000), wk = 0.0024814 k( 258) = ( 0.3372093 0.5000000 0.5000000), wk = 0.0024814 k( 259) = ( 0.3488372 0.5000000 0.5000000), wk = 0.0024814 k( 260) = ( 0.3604651 0.5000000 0.5000000), wk = 0.0024814 k( 261) = ( 0.3720930 0.5000000 0.5000000), wk = 0.0024814 k( 262) = ( 0.3837209 0.5000000 0.5000000), wk = 0.0024814 k( 263) = ( 0.3953488 0.5000000 0.5000000), wk = 0.0024814 k( 264) = ( 0.4069767 0.5000000 0.5000000), wk = 0.0024814 k( 265) = ( 0.4186047 0.5000000 0.5000000), wk = 0.0024814 k( 266) = ( 0.4302326 0.5000000 0.5000000), wk = 0.0024814 k( 267) = ( 0.4418605 0.5000000 0.5000000), wk = 0.0024814 k( 268) = ( 0.4534884 0.5000000 0.5000000), wk = 0.0024814 k( 269) = ( 0.4651163 0.5000000 0.5000000), wk = 0.0024814 k( 270) = ( 0.4767442 0.5000000 0.5000000), wk = 0.0024814 k( 271) = ( 0.4883721 0.5000000 0.5000000), wk = 0.0024814 k( 272) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024814 k( 273) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024814 k( 274) = ( 0.4916667 0.4916667 0.5000000), wk = 0.0024814 k( 275) = ( 0.4833333 0.4833333 0.5000000), wk = 0.0024814 k( 276) = ( 0.4750000 0.4750000 0.5000000), wk = 0.0024814 k( 277) = ( 0.4666667 0.4666667 0.5000000), wk = 0.0024814 k( 278) = ( 0.4583333 0.4583333 0.5000000), wk = 0.0024814 k( 279) = ( 0.4500000 0.4500000 0.5000000), wk = 0.0024814 k( 280) = ( 0.4416667 0.4416667 0.5000000), wk = 0.0024814 k( 281) = ( 0.4333333 0.4333333 0.5000000), wk = 0.0024814 k( 282) = ( 0.4250000 0.4250000 0.5000000), wk = 0.0024814 k( 283) = ( 0.4166667 0.4166667 0.5000000), wk = 0.0024814 k( 284) = ( 0.4083333 0.4083333 0.5000000), wk = 0.0024814 k( 285) = ( 0.4000000 0.4000000 0.5000000), wk = 0.0024814 k( 286) = ( 0.3916667 0.3916667 0.5000000), wk = 0.0024814 k( 287) = ( 0.3833333 0.3833333 0.5000000), wk = 0.0024814 k( 288) = ( 0.3750000 0.3750000 0.5000000), wk = 0.0024814 k( 289) = ( 0.3666667 0.3666667 0.5000000), wk = 0.0024814 k( 290) = ( 0.3583333 0.3583333 0.5000000), wk = 0.0024814 k( 291) = ( 0.3500000 0.3500000 0.5000000), wk = 0.0024814 k( 292) = ( 0.3416667 0.3416667 0.5000000), wk = 0.0024814 k( 293) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0024814 k( 294) = ( 0.3250000 0.3250000 0.5000000), wk = 0.0024814 k( 295) = ( 0.3166667 0.3166667 0.5000000), wk = 0.0024814 k( 296) = ( 0.3083333 0.3083333 0.5000000), wk = 0.0024814 k( 297) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0024814 k( 298) = ( 0.2916667 0.2916667 0.5000000), wk = 0.0024814 k( 299) = ( 0.2833333 0.2833333 0.5000000), wk = 0.0024814 k( 300) = ( 0.2750000 0.2750000 0.5000000), wk = 0.0024814 k( 301) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0024814 k( 302) = ( 0.2583333 0.2583333 0.5000000), wk = 0.0024814 k( 303) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0024814 k( 304) = ( 0.2416667 0.2416667 0.5000000), wk = 0.0024814 k( 305) = ( 0.2333333 0.2333333 0.5000000), wk = 0.0024814 k( 306) = ( 0.2250000 0.2250000 0.5000000), wk = 0.0024814 k( 307) = ( 0.2166667 0.2166667 0.5000000), wk = 0.0024814 k( 308) = ( 0.2083333 0.2083333 0.5000000), wk = 0.0024814 k( 309) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0024814 k( 310) = ( 0.1916667 0.1916667 0.5000000), wk = 0.0024814 k( 311) = ( 0.1833333 0.1833333 0.5000000), wk = 0.0024814 k( 312) = ( 0.1750000 0.1750000 0.5000000), wk = 0.0024814 k( 313) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0024814 k( 314) = ( 0.1583333 0.1583333 0.5000000), wk = 0.0024814 k( 315) = ( 0.1500000 0.1500000 0.5000000), wk = 0.0024814 k( 316) = ( 0.1416667 0.1416667 0.5000000), wk = 0.0024814 k( 317) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0024814 k( 318) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0024814 k( 319) = ( 0.1166667 0.1166667 0.5000000), wk = 0.0024814 k( 320) = ( 0.1083333 0.1083333 0.5000000), wk = 0.0024814 k( 321) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0024814 k( 322) = ( 0.0916667 0.0916667 0.5000000), wk = 0.0024814 k( 323) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0024814 k( 324) = ( 0.0750000 0.0750000 0.5000000), wk = 0.0024814 k( 325) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0024814 k( 326) = ( 0.0583333 0.0583333 0.5000000), wk = 0.0024814 k( 327) = ( 0.0500000 0.0500000 0.5000000), wk = 0.0024814 k( 328) = ( 0.0416667 0.0416667 0.5000000), wk = 0.0024814 k( 329) = ( 0.0333333 0.0333333 0.5000000), wk = 0.0024814 k( 330) = ( 0.0250000 0.0250000 0.5000000), wk = 0.0024814 k( 331) = ( 0.0166667 0.0166667 0.5000000), wk = 0.0024814 k( 332) = ( 0.0083333 0.0083333 0.5000000), wk = 0.0024814 k( 333) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024814 k( 334) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0024814 k( 335) = ( 0.0000000 0.5000000 0.0147059), wk = 0.0024814 k( 336) = ( 0.0000000 0.5000000 0.0294118), wk = 0.0024814 k( 337) = ( 0.0000000 0.5000000 0.0441177), wk = 0.0024814 k( 338) = ( 0.0000000 0.5000000 0.0588235), wk = 0.0024814 k( 339) = ( 0.0000000 0.5000000 0.0735294), wk = 0.0024814 k( 340) = ( 0.0000000 0.5000000 0.0882353), wk = 0.0024814 k( 341) = ( 0.0000000 0.5000000 0.1029412), wk = 0.0024814 k( 342) = ( 0.0000000 0.5000000 0.1176471), wk = 0.0024814 k( 343) = ( 0.0000000 0.5000000 0.1323529), wk = 0.0024814 k( 344) = ( 0.0000000 0.5000000 0.1470588), wk = 0.0024814 k( 345) = ( 0.0000000 0.5000000 0.1617647), wk = 0.0024814 k( 346) = ( 0.0000000 0.5000000 0.1764706), wk = 0.0024814 k( 347) = ( 0.0000000 0.5000000 0.1911765), wk = 0.0024814 k( 348) = ( 0.0000000 0.5000000 0.2058824), wk = 0.0024814 k( 349) = ( 0.0000000 0.5000000 0.2205882), wk = 0.0024814 k( 350) = ( 0.0000000 0.5000000 0.2352941), wk = 0.0024814 k( 351) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0024814 k( 352) = ( 0.0000000 0.5000000 0.2647059), wk = 0.0024814 k( 353) = ( 0.0000000 0.5000000 0.2794118), wk = 0.0024814 k( 354) = ( 0.0000000 0.5000000 0.2941177), wk = 0.0024814 k( 355) = ( 0.0000000 0.5000000 0.3088235), wk = 0.0024814 k( 356) = ( 0.0000000 0.5000000 0.3235294), wk = 0.0024814 k( 357) = ( 0.0000000 0.5000000 0.3382353), wk = 0.0024814 k( 358) = ( 0.0000000 0.5000000 0.3529412), wk = 0.0024814 k( 359) = ( 0.0000000 0.5000000 0.3676471), wk = 0.0024814 k( 360) = ( 0.0000000 0.5000000 0.3823529), wk = 0.0024814 k( 361) = ( 0.0000000 0.5000000 0.3970588), wk = 0.0024814 k( 362) = ( 0.0000000 0.5000000 0.4117647), wk = 0.0024814 k( 363) = ( 0.0000000 0.5000000 0.4264706), wk = 0.0024814 k( 364) = ( 0.0000000 0.5000000 0.4411765), wk = 0.0024814 k( 365) = ( 0.0000000 0.5000000 0.4558823), wk = 0.0024814 k( 366) = ( 0.0000000 0.5000000 0.4705882), wk = 0.0024814 k( 367) = ( 0.0000000 0.5000000 0.4852941), wk = 0.0024814 k( 368) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0024814 k( 369) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0024814 k( 370) = ( 0.5000000 0.5000000 0.0147059), wk = 0.0024814 k( 371) = ( 0.5000000 0.5000000 0.0294118), wk = 0.0024814 k( 372) = ( 0.5000000 0.5000000 0.0441177), wk = 0.0024814 k( 373) = ( 0.5000000 0.5000000 0.0588235), wk = 0.0024814 k( 374) = ( 0.5000000 0.5000000 0.0735294), wk = 0.0024814 k( 375) = ( 0.5000000 0.5000000 0.0882353), wk = 0.0024814 k( 376) = ( 0.5000000 0.5000000 0.1029412), wk = 0.0024814 k( 377) = ( 0.5000000 0.5000000 0.1176471), wk = 0.0024814 k( 378) = ( 0.5000000 0.5000000 0.1323529), wk = 0.0024814 k( 379) = ( 0.5000000 0.5000000 0.1470588), wk = 0.0024814 k( 380) = ( 0.5000000 0.5000000 0.1617647), wk = 0.0024814 k( 381) = ( 0.5000000 0.5000000 0.1764706), wk = 0.0024814 k( 382) = ( 0.5000000 0.5000000 0.1911765), wk = 0.0024814 k( 383) = ( 0.5000000 0.5000000 0.2058824), wk = 0.0024814 k( 384) = ( 0.5000000 0.5000000 0.2205882), wk = 0.0024814 k( 385) = ( 0.5000000 0.5000000 0.2352941), wk = 0.0024814 k( 386) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0024814 k( 387) = ( 0.5000000 0.5000000 0.2647059), wk = 0.0024814 k( 388) = ( 0.5000000 0.5000000 0.2794118), wk = 0.0024814 k( 389) = ( 0.5000000 0.5000000 0.2941177), wk = 0.0024814 k( 390) = ( 0.5000000 0.5000000 0.3088235), wk = 0.0024814 k( 391) = ( 0.5000000 0.5000000 0.3235294), wk = 0.0024814 k( 392) = ( 0.5000000 0.5000000 0.3382353), wk = 0.0024814 k( 393) = ( 0.5000000 0.5000000 0.3529412), wk = 0.0024814 k( 394) = ( 0.5000000 0.5000000 0.3676471), wk = 0.0024814 k( 395) = ( 0.5000000 0.5000000 0.3823529), wk = 0.0024814 k( 396) = ( 0.5000000 0.5000000 0.3970588), wk = 0.0024814 k( 397) = ( 0.5000000 0.5000000 0.4117647), wk = 0.0024814 k( 398) = ( 0.5000000 0.5000000 0.4264706), wk = 0.0024814 k( 399) = ( 0.5000000 0.5000000 0.4411765), wk = 0.0024814 k( 400) = ( 0.5000000 0.5000000 0.4558823), wk = 0.0024814 k( 401) = ( 0.5000000 0.5000000 0.4705882), wk = 0.0024814 k( 402) = ( 0.5000000 0.5000000 0.4852941), wk = 0.0024814 k( 403) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024814 Dense grid: 43699 G-vectors FFT dimensions: ( 45, 45, 54) Smooth grid: 19411 G-vectors FFT dimensions: ( 32, 32, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.07 Mb ( 112, 40) NL pseudopotentials 0.08 Mb ( 56, 92) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 908) G-vector shells 0.00 Mb ( 440) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.27 Mb ( 112, 160) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.11 Mb ( 92, 2, 40) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./CoBiO3.save/charge-density.dat Starting wfc are 50 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 32.5 secs Computing kpt #: 2 total cpu time spent up to now is 33.0 secs Computing kpt #: 3 total cpu time spent up to now is 33.4 secs Computing kpt #: 4 total cpu time spent up to now is 33.8 secs Computing kpt #: 5 total cpu time spent up to now is 34.2 secs Computing kpt #: 6 total cpu time spent up to now is 34.7 secs Computing kpt #: 7 total cpu time spent up to now is 35.1 secs Computing kpt #: 8 total cpu time spent up to now is 35.5 secs Computing kpt #: 9 total cpu time spent up to now is 36.0 secs Computing kpt #: 10 total cpu time spent up to now is 36.4 secs Computing kpt #: 11 total cpu time spent up to now is 36.9 secs Computing kpt #: 12 total cpu time spent up to now is 37.3 secs Computing kpt #: 13 total cpu time spent up to now is 37.8 secs Computing kpt #: 14 total cpu time spent up to now is 38.2 secs Computing kpt #: 15 total cpu time spent up to now is 38.7 secs Computing kpt #: 16 total cpu time spent up to now is 39.1 secs Computing kpt #: 17 total cpu time spent up to now is 39.6 secs Computing kpt #: 18 total cpu time spent up to now is 40.0 secs Computing kpt #: 19 total cpu time spent up to now is 40.5 secs Computing kpt #: 20 total cpu time spent up to now is 41.0 secs Computing kpt #: 21 total cpu time spent up to now is 41.4 secs Computing kpt #: 22 total cpu time spent up to now is 41.9 secs Computing kpt #: 23 total cpu time spent up to now is 42.3 secs Computing kpt #: 24 total cpu time spent up to now is 42.8 secs Computing kpt #: 25 total cpu time spent up to now is 43.2 secs Computing kpt #: 26 total cpu time spent up to now is 43.7 secs Computing kpt #: 27 total cpu time spent up to now is 44.1 secs Computing kpt #: 28 total cpu time spent up to now is 44.5 secs Computing kpt #: 29 total cpu time spent up to now is 45.0 secs Computing kpt #: 30 total cpu time spent up to now is 45.4 secs Computing kpt #: 31 total cpu time spent up to now is 48.8 secs Computing kpt #: 32 total cpu time spent up to now is 49.3 secs Computing kpt #: 33 total cpu time spent up to now is 49.7 secs Computing kpt #: 34 total cpu time spent up to now is 50.1 secs Computing kpt #: 35 total cpu time spent up to now is 50.5 secs Computing kpt #: 36 total cpu time spent up to now is 50.9 secs Computing kpt #: 37 total cpu time spent up to now is 51.3 secs Computing kpt #: 38 total cpu time spent up to now is 51.7 secs Computing kpt #: 39 total cpu time spent up to now is 52.1 secs Computing kpt #: 40 total cpu time spent up to now is 52.5 secs Computing kpt #: 41 total cpu time spent up to now is 52.9 secs Computing kpt #: 42 total cpu time spent up to now is 53.3 secs Computing kpt #: 43 total cpu time spent up to now is 53.7 secs Computing kpt #: 44 total cpu time spent up to now is 54.1 secs Computing kpt #: 45 total cpu time spent up to now is 54.4 secs Computing kpt #: 46 total cpu time spent up to now is 54.8 secs Computing kpt #: 47 total cpu time spent up to now is 55.7 secs Computing kpt #: 48 total cpu time spent up to now is 56.4 secs Computing kpt #: 49 total cpu time spent up to now is 56.8 secs Computing kpt #: 50 total cpu time spent up to now is 57.2 secs Computing kpt #: 51 total cpu time spent up to now is 57.6 secs Computing kpt #: 52 total cpu time spent up to now is 58.0 secs Computing kpt #: 53 total cpu time spent up to now is 58.4 secs Computing kpt #: 54 total cpu time spent up to now is 58.8 secs Computing kpt #: 55 total cpu time spent up to now is 59.2 secs Computing kpt #: 56 total cpu time spent up to now is 59.6 secs Computing kpt #: 57 total cpu time spent up to now is 60.1 secs Computing kpt #: 58 total cpu time spent up to now is 60.4 secs Computing kpt #: 59 total cpu time spent up to now is 60.9 secs Computing kpt #: 60 total cpu time spent up to now is 61.3 secs Computing kpt #: 61 total cpu time spent up to now is 65.4 secs Computing kpt #: 62 total cpu time spent up to now is 65.9 secs Computing kpt #: 63 total cpu time spent up to now is 66.3 secs Computing kpt #: 64 total cpu time spent up to now is 71.0 secs Computing kpt #: 65 total cpu time spent up to now is 71.4 secs Computing kpt #: 66 total cpu time spent up to now is 71.9 secs Computing kpt #: 67 total cpu time spent up to now is 72.3 secs Computing kpt #: 68 total cpu time spent up to now is 72.8 secs Computing kpt #: 69 total cpu time spent up to now is 73.2 secs Computing kpt #: 70 total cpu time spent up to now is 73.7 secs Computing kpt #: 71 total cpu time spent up to now is 74.1 secs Computing kpt #: 72 total cpu time spent up to now is 74.6 secs Computing kpt #: 73 total cpu time spent up to now is 75.0 secs Computing kpt #: 74 total cpu time spent up to now is 75.5 secs Computing kpt #: 75 total cpu time spent up to now is 75.9 secs Computing kpt #: 76 total cpu time spent up to now is 76.4 secs Computing kpt #: 77 total cpu time spent up to now is 76.9 secs Computing kpt #: 78 total cpu time spent up to now is 77.3 secs Computing kpt #: 79 total cpu time spent up to now is 77.8 secs Computing kpt #: 80 total cpu time spent up to now is 78.3 secs Computing kpt #: 81 total cpu time spent up to now is 78.7 secs Computing kpt #: 82 total cpu time spent up to now is 79.2 secs Computing kpt #: 83 total cpu time spent up to now is 87.8 secs Computing kpt #: 84 total cpu time spent up to now is 88.3 secs Computing kpt #: 85 total cpu time spent up to now is 88.7 secs Computing kpt #: 86 total cpu time spent up to now is 91.5 secs Computing kpt #: 87 total cpu time spent up to now is 92.0 secs Computing kpt #: 88 total cpu time spent up to now is 93.2 secs Computing kpt #: 89 total cpu time spent up to now is 93.6 secs Computing kpt #: 90 total cpu time spent up to now is 94.1 secs Computing kpt #: 91 total cpu time spent up to now is 94.5 secs Computing kpt #: 92 total cpu time spent up to now is 96.1 secs Computing kpt #: 93 total cpu time spent up to now is 96.6 secs Computing kpt #: 94 total cpu time spent up to now is 97.1 secs Computing kpt #: 95 total cpu time spent up to now is 97.5 secs Computing kpt #: 96 total cpu time spent up to now is 98.0 secs Computing kpt #: 97 total cpu time spent up to now is 98.5 secs Computing kpt #: 98 total cpu time spent up to now is 99.0 secs Computing kpt #: 99 total cpu time spent up to now is 100.7 secs Computing kpt #: 100 total cpu time spent up to now is 101.2 secs Computing kpt #: 101 total cpu time spent up to now is 104.5 secs Computing kpt #: 102 total cpu time spent up to now is 105.0 secs Computing kpt #: 103 total cpu time spent up to now is 106.2 secs Computing kpt #: 104 total cpu time spent up to now is 111.9 secs Computing kpt #: 105 total cpu time spent up to now is 112.4 secs Computing kpt #: 106 total cpu time spent up to now is 112.8 secs Computing kpt #: 107 total cpu time spent up to now is 113.3 secs Computing kpt #: 108 total cpu time spent up to now is 113.7 secs Computing kpt #: 109 total cpu time spent up to now is 114.2 secs Computing kpt #: 110 total cpu time spent up to now is 114.6 secs Computing kpt #: 111 total cpu time spent up to now is 115.0 secs Computing kpt #: 112 total cpu time spent up to now is 115.5 secs Computing kpt #: 113 total cpu time spent up to now is 115.9 secs Computing kpt #: 114 total cpu time spent up to now is 116.4 secs Computing kpt #: 115 total cpu time spent up to now is 116.8 secs Computing kpt #: 116 total cpu time spent up to now is 117.2 secs Computing kpt #: 117 total cpu time spent up to now is 117.6 secs Computing kpt #: 118 total cpu time spent up to now is 118.0 secs Computing kpt #: 119 total cpu time spent up to now is 118.5 secs Computing kpt #: 120 total cpu time spent up to now is 118.9 secs Computing kpt #: 121 total cpu time spent up to now is 119.4 secs Computing kpt #: 122 total cpu time spent up to now is 119.8 secs Computing kpt #: 123 total cpu time spent up to now is 120.2 secs Computing kpt #: 124 total cpu time spent up to now is 120.7 secs Computing kpt #: 125 total cpu time spent up to now is 121.1 secs Computing kpt #: 126 total cpu time spent up to now is 121.6 secs Computing kpt #: 127 total cpu time spent up to now is 122.0 secs Computing kpt #: 128 total cpu time spent up to now is 122.5 secs Computing kpt #: 129 total cpu time spent up to now is 122.9 secs Computing kpt #: 130 total cpu time spent up to now is 123.4 secs Computing kpt #: 131 total cpu time spent up to now is 123.8 secs Computing kpt #: 132 total cpu time spent up to now is 124.2 secs Computing kpt #: 133 total cpu time spent up to now is 124.7 secs Computing kpt #: 134 total cpu time spent up to now is 125.1 secs Computing kpt #: 135 total cpu time spent up to now is 127.4 secs Computing kpt #: 136 total cpu time spent up to now is 127.8 secs Computing kpt #: 137 total cpu time spent up to now is 128.3 secs Computing kpt #: 138 total cpu time spent up to now is 128.7 secs Computing kpt #: 139 total cpu time spent up to now is 129.1 secs Computing kpt #: 140 total cpu time spent up to now is 129.6 secs Computing kpt #: 141 total cpu time spent up to now is 130.0 secs Computing kpt #: 142 total cpu time spent up to now is 130.4 secs Computing kpt #: 143 total cpu time spent up to now is 130.9 secs Computing kpt #: 144 total cpu time spent up to now is 131.3 secs Computing kpt #: 145 total cpu time spent up to now is 131.7 secs Computing kpt #: 146 total cpu time spent up to now is 132.2 secs Computing kpt #: 147 total cpu time spent up to now is 132.6 secs Computing kpt #: 148 total cpu time spent up to now is 133.0 secs Computing kpt #: 149 total cpu time spent up to now is 133.4 secs Computing kpt #: 150 total cpu time spent up to now is 133.8 secs Computing kpt #: 151 total cpu time spent up to now is 134.2 secs Computing kpt #: 152 total cpu time spent up to now is 134.7 secs Computing kpt #: 153 total cpu time spent up to now is 135.1 secs Computing kpt #: 154 total cpu time spent up to now is 135.5 secs Computing kpt #: 155 total cpu time spent up to now is 135.9 secs Computing kpt #: 156 total cpu time spent up to now is 136.3 secs Computing kpt #: 157 total cpu time spent up to now is 136.8 secs Computing kpt #: 158 total cpu time spent up to now is 137.2 secs Computing kpt #: 159 total cpu time spent up to now is 137.6 secs Computing kpt #: 160 total cpu time spent up to now is 138.0 secs Computing kpt #: 161 total cpu time spent up to now is 138.5 secs Computing kpt #: 162 total cpu time spent up to now is 138.9 secs Computing kpt #: 163 total cpu time spent up to now is 139.3 secs Computing kpt #: 164 total cpu time spent up to now is 139.8 secs Computing kpt #: 165 total cpu time spent up to now is 140.2 secs Computing kpt #: 166 total cpu time spent up to now is 140.6 secs Computing kpt #: 167 total cpu time spent up to now is 141.0 secs Computing kpt #: 168 total cpu time spent up to now is 147.1 secs Computing kpt #: 169 total cpu time spent up to now is 147.5 secs Computing kpt #: 170 total cpu time spent up to now is 147.9 secs Computing kpt #: 171 total cpu time spent up to now is 148.3 secs Computing kpt #: 172 total cpu time spent up to now is 148.6 secs Computing kpt #: 173 total cpu time spent up to now is 149.0 secs Computing kpt #: 174 total cpu time spent up to now is 149.4 secs Computing kpt #: 175 total cpu time spent up to now is 149.8 secs Computing kpt #: 176 total cpu time spent up to now is 150.2 secs Computing kpt #: 177 total cpu time spent up to now is 150.6 secs Computing kpt #: 178 total cpu time spent up to now is 150.9 secs Computing kpt #: 179 total cpu time spent up to now is 151.3 secs Computing kpt #: 180 total cpu time spent up to now is 151.7 secs Computing kpt #: 181 total cpu time spent up to now is 152.1 secs Computing kpt #: 182 total cpu time spent up to now is 152.5 secs Computing kpt #: 183 total cpu time spent up to now is 152.9 secs Computing kpt #: 184 total cpu time spent up to now is 153.2 secs Computing kpt #: 185 total cpu time spent up to now is 153.6 secs Computing kpt #: 186 total cpu time spent up to now is 154.0 secs Computing kpt #: 187 total cpu time spent up to now is 154.4 secs Computing kpt #: 188 total cpu time spent up to now is 154.8 secs Computing kpt #: 189 total cpu time spent up to now is 155.2 secs Computing kpt #: 190 total cpu time spent up to now is 155.5 secs Computing kpt #: 191 total cpu time spent up to now is 155.9 secs Computing kpt #: 192 total cpu time spent up to now is 156.3 secs Computing kpt #: 193 total cpu time spent up to now is 156.7 secs Computing kpt #: 194 total cpu time spent up to now is 157.1 secs Computing kpt #: 195 total cpu time spent up to now is 157.5 secs Computing kpt #: 196 total cpu time spent up to now is 157.9 secs Computing kpt #: 197 total cpu time spent up to now is 158.3 secs Computing kpt #: 198 total cpu time spent up to now is 158.7 secs Computing kpt #: 199 total cpu time spent up to now is 159.1 secs Computing kpt #: 200 total cpu time spent up to now is 159.5 secs Computing kpt #: 201 total cpu time spent up to now is 159.9 secs Computing kpt #: 202 total cpu time spent up to now is 160.3 secs Computing kpt #: 203 total cpu time spent up to now is 160.7 secs Computing kpt #: 204 total cpu time spent up to now is 161.1 secs Computing kpt #: 205 total cpu time spent up to now is 161.5 secs Computing kpt #: 206 total cpu time spent up to now is 161.9 secs Computing kpt #: 207 total cpu time spent up to now is 162.2 secs Computing kpt #: 208 total cpu time spent up to now is 162.6 secs Computing kpt #: 209 total cpu time spent up to now is 163.0 secs Computing kpt #: 210 total cpu time spent up to now is 163.4 secs Computing kpt #: 211 total cpu time spent up to now is 163.8 secs Computing kpt #: 212 total cpu time spent up to now is 164.2 secs Computing kpt #: 213 total cpu time spent up to now is 164.6 secs Computing kpt #: 214 total cpu time spent up to now is 165.0 secs Computing kpt #: 215 total cpu time spent up to now is 165.4 secs Computing kpt #: 216 total cpu time spent up to now is 165.8 secs Computing kpt #: 217 total cpu time spent up to now is 166.1 secs Computing kpt #: 218 total cpu time spent up to now is 166.5 secs Computing kpt #: 219 total cpu time spent up to now is 166.9 secs Computing kpt #: 220 total cpu time spent up to now is 167.3 secs Computing kpt #: 221 total cpu time spent up to now is 167.7 secs Computing kpt #: 222 total cpu time spent up to now is 168.1 secs Computing kpt #: 223 total cpu time spent up to now is 168.5 secs Computing kpt #: 224 total cpu time spent up to now is 168.9 secs Computing kpt #: 225 total cpu time spent up to now is 169.3 secs Computing kpt #: 226 total cpu time spent up to now is 169.6 secs Computing kpt #: 227 total cpu time spent up to now is 170.0 secs Computing kpt #: 228 total cpu time spent up to now is 170.5 secs Computing kpt #: 229 total cpu time spent up to now is 170.9 secs Computing kpt #: 230 total cpu time spent up to now is 171.3 secs Computing kpt #: 231 total cpu time spent up to now is 171.7 secs Computing kpt #: 232 total cpu time spent up to now is 172.1 secs Computing kpt #: 233 total cpu time spent up to now is 172.5 secs Computing kpt #: 234 total cpu time spent up to now is 172.9 secs Computing kpt #: 235 total cpu time spent up to now is 173.3 secs Computing kpt #: 236 total cpu time spent up to now is 173.7 secs Computing kpt #: 237 total cpu time spent up to now is 174.2 secs Computing kpt #: 238 total cpu time spent up to now is 174.6 secs Computing kpt #: 239 total cpu time spent up to now is 175.0 secs Computing kpt #: 240 total cpu time spent up to now is 175.5 secs Computing kpt #: 241 total cpu time spent up to now is 176.0 secs Computing kpt #: 242 total cpu time spent up to now is 180.4 secs Computing kpt #: 243 total cpu time spent up to now is 185.3 secs Computing kpt #: 244 total cpu time spent up to now is 185.8 secs Computing kpt #: 245 total cpu time spent up to now is 186.2 secs Computing kpt #: 246 total cpu time spent up to now is 186.6 secs Computing kpt #: 247 total cpu time spent up to now is 187.1 secs Computing kpt #: 248 total cpu time spent up to now is 187.5 secs Computing kpt #: 249 total cpu time spent up to now is 187.9 secs Computing kpt #: 250 total cpu time spent up to now is 188.4 secs Computing kpt #: 251 total cpu time spent up to now is 188.8 secs Computing kpt #: 252 total cpu time spent up to now is 189.2 secs Computing kpt #: 253 total cpu time spent up to now is 189.8 secs Computing kpt #: 254 total cpu time spent up to now is 190.3 secs Computing kpt #: 255 total cpu time spent up to now is 190.7 secs Computing kpt #: 256 total cpu time spent up to now is 191.1 secs Computing kpt #: 257 total cpu time spent up to now is 191.6 secs Computing kpt #: 258 total cpu time spent up to now is 192.0 secs Computing kpt #: 259 total cpu time spent up to now is 192.4 secs Computing kpt #: 260 total cpu time spent up to now is 192.9 secs Computing kpt #: 261 total cpu time spent up to now is 193.3 secs Computing kpt #: 262 total cpu time spent up to now is 193.8 secs Computing kpt #: 263 total cpu time spent up to now is 194.2 secs Computing kpt #: 264 total cpu time spent up to now is 194.6 secs Computing kpt #: 265 total cpu time spent up to now is 195.1 secs Computing kpt #: 266 total cpu time spent up to now is 195.6 secs Computing kpt #: 267 total cpu time spent up to now is 196.0 secs Computing kpt #: 268 total cpu time spent up to now is 196.5 secs Computing kpt #: 269 total cpu time spent up to now is 196.9 secs Computing kpt #: 270 total cpu time spent up to now is 197.4 secs Computing kpt #: 271 total cpu time spent up to now is 197.8 secs Computing kpt #: 272 total cpu time spent up to now is 198.2 secs Computing kpt #: 273 total cpu time spent up to now is 198.7 secs Computing kpt #: 274 total cpu time spent up to now is 199.1 secs Computing kpt #: 275 total cpu time spent up to now is 199.6 secs Computing kpt #: 276 total cpu time spent up to now is 200.0 secs Computing kpt #: 277 total cpu time spent up to now is 200.5 secs Computing kpt #: 278 total cpu time spent up to now is 201.0 secs Computing kpt #: 279 total cpu time spent up to now is 201.4 secs Computing kpt #: 280 total cpu time spent up to now is 201.9 secs Computing kpt #: 281 total cpu time spent up to now is 202.3 secs Computing kpt #: 282 total cpu time spent up to now is 202.7 secs Computing kpt #: 283 total cpu time spent up to now is 203.2 secs Computing kpt #: 284 total cpu time spent up to now is 203.6 secs Computing kpt #: 285 total cpu time spent up to now is 204.1 secs Computing kpt #: 286 total cpu time spent up to now is 204.5 secs Computing kpt #: 287 total cpu time spent up to now is 204.9 secs Computing kpt #: 288 total cpu time spent up to now is 205.4 secs Computing kpt #: 289 total cpu time spent up to now is 205.8 secs Computing kpt #: 290 total cpu time spent up to now is 206.3 secs Computing kpt #: 291 total cpu time spent up to now is 206.7 secs Computing kpt #: 292 total cpu time spent up to now is 207.2 secs Computing kpt #: 293 total cpu time spent up to now is 207.7 secs Computing kpt #: 294 total cpu time spent up to now is 208.1 secs Computing kpt #: 295 total cpu time spent up to now is 208.6 secs Computing kpt #: 296 total cpu time spent up to now is 209.0 secs Computing kpt #: 297 total cpu time spent up to now is 209.4 secs Computing kpt #: 298 total cpu time spent up to now is 209.9 secs Computing kpt #: 299 total cpu time spent up to now is 210.3 secs Computing kpt #: 300 total cpu time spent up to now is 210.7 secs Computing kpt #: 301 total cpu time spent up to now is 217.1 secs Computing kpt #: 302 total cpu time spent up to now is 217.5 secs Computing kpt #: 303 total cpu time spent up to now is 218.0 secs Computing kpt #: 304 total cpu time spent up to now is 218.4 secs Computing kpt #: 305 total cpu time spent up to now is 218.8 secs Computing kpt #: 306 total cpu time spent up to now is 219.2 secs Computing kpt #: 307 total cpu time spent up to now is 219.6 secs Computing kpt #: 308 total cpu time spent up to now is 220.0 secs Computing kpt #: 309 total cpu time spent up to now is 220.4 secs Computing kpt #: 310 total cpu time spent up to now is 220.8 secs Computing kpt #: 311 total cpu time spent up to now is 221.2 secs Computing kpt #: 312 total cpu time spent up to now is 221.6 secs Computing kpt #: 313 total cpu time spent up to now is 222.0 secs Computing kpt #: 314 total cpu time spent up to now is 222.4 secs Computing kpt #: 315 total cpu time spent up to now is 224.1 secs Computing kpt #: 316 total cpu time spent up to now is 224.5 secs Computing kpt #: 317 total cpu time spent up to now is 224.9 secs Computing kpt #: 318 total cpu time spent up to now is 225.3 secs Computing kpt #: 319 total cpu time spent up to now is 225.7 secs Computing kpt #: 320 total cpu time spent up to now is 226.1 secs Computing kpt #: 321 total cpu time spent up to now is 226.5 secs Computing kpt #: 322 total cpu time spent up to now is 226.9 secs Computing kpt #: 323 total cpu time spent up to now is 227.3 secs Computing kpt #: 324 total cpu time spent up to now is 227.7 secs Computing kpt #: 325 total cpu time spent up to now is 228.1 secs Computing kpt #: 326 total cpu time spent up to now is 228.5 secs Computing kpt #: 327 total cpu time spent up to now is 228.9 secs Computing kpt #: 328 total cpu time spent up to now is 229.3 secs Computing kpt #: 329 total cpu time spent up to now is 229.9 secs Computing kpt #: 330 total cpu time spent up to now is 230.3 secs Computing kpt #: 331 total cpu time spent up to now is 230.7 secs Computing kpt #: 332 total cpu time spent up to now is 231.1 secs Computing kpt #: 333 total cpu time spent up to now is 231.5 secs Computing kpt #: 334 total cpu time spent up to now is 231.9 secs Computing kpt #: 335 total cpu time spent up to now is 232.3 secs Computing kpt #: 336 total cpu time spent up to now is 232.7 secs Computing kpt #: 337 total cpu time spent up to now is 233.1 secs Computing kpt #: 338 total cpu time spent up to now is 233.5 secs Computing kpt #: 339 total cpu time spent up to now is 233.9 secs Computing kpt #: 340 total cpu time spent up to now is 234.3 secs Computing kpt #: 341 total cpu time spent up to now is 234.7 secs Computing kpt #: 342 total cpu time spent up to now is 235.1 secs Computing kpt #: 343 total cpu time spent up to now is 235.5 secs Computing kpt #: 344 total cpu time spent up to now is 235.9 secs Computing kpt #: 345 total cpu time spent up to now is 236.3 secs Computing kpt #: 346 total cpu time spent up to now is 236.7 secs Computing kpt #: 347 total cpu time spent up to now is 237.1 secs Computing kpt #: 348 total cpu time spent up to now is 237.4 secs Computing kpt #: 349 total cpu time spent up to now is 237.8 secs Computing kpt #: 350 total cpu time spent up to now is 238.2 secs Computing kpt #: 351 total cpu time spent up to now is 238.6 secs Computing kpt #: 352 total cpu time spent up to now is 239.0 secs Computing kpt #: 353 total cpu time spent up to now is 239.4 secs Computing kpt #: 354 total cpu time spent up to now is 239.8 secs Computing kpt #: 355 total cpu time spent up to now is 240.2 secs Computing kpt #: 356 total cpu time spent up to now is 240.6 secs Computing kpt #: 357 total cpu time spent up to now is 241.1 secs Computing kpt #: 358 total cpu time spent up to now is 241.5 secs Computing kpt #: 359 total cpu time spent up to now is 241.9 secs Computing kpt #: 360 total cpu time spent up to now is 242.3 secs Computing kpt #: 361 total cpu time spent up to now is 242.7 secs Computing kpt #: 362 total cpu time spent up to now is 243.1 secs Computing kpt #: 363 total cpu time spent up to now is 243.5 secs Computing kpt #: 364 total cpu time spent up to now is 243.9 secs Computing kpt #: 365 total cpu time spent up to now is 244.3 secs Computing kpt #: 366 total cpu time spent up to now is 244.7 secs Computing kpt #: 367 total cpu time spent up to now is 245.1 secs Computing kpt #: 368 total cpu time spent up to now is 245.5 secs Computing kpt #: 369 total cpu time spent up to now is 245.9 secs Computing kpt #: 370 total cpu time spent up to now is 248.1 secs Computing kpt #: 371 total cpu time spent up to now is 248.6 secs Computing kpt #: 372 total cpu time spent up to now is 249.0 secs Computing kpt #: 373 total cpu time spent up to now is 249.4 secs Computing kpt #: 374 total cpu time spent up to now is 249.9 secs Computing kpt #: 375 total cpu time spent up to now is 250.3 secs Computing kpt #: 376 total cpu time spent up to now is 250.7 secs Computing kpt #: 377 total cpu time spent up to now is 251.1 secs Computing kpt #: 378 total cpu time spent up to now is 251.6 secs Computing kpt #: 379 total cpu time spent up to now is 252.0 secs Computing kpt #: 380 total cpu time spent up to now is 252.4 secs Computing kpt #: 381 total cpu time spent up to now is 252.8 secs Computing kpt #: 382 total cpu time spent up to now is 253.3 secs Computing kpt #: 383 total cpu time spent up to now is 253.7 secs Computing kpt #: 384 total cpu time spent up to now is 254.1 secs Computing kpt #: 385 total cpu time spent up to now is 254.5 secs Computing kpt #: 386 total cpu time spent up to now is 255.0 secs Computing kpt #: 387 total cpu time spent up to now is 255.4 secs Computing kpt #: 388 total cpu time spent up to now is 255.9 secs Computing kpt #: 389 total cpu time spent up to now is 257.9 secs Computing kpt #: 390 total cpu time spent up to now is 258.3 secs Computing kpt #: 391 total cpu time spent up to now is 258.7 secs Computing kpt #: 392 total cpu time spent up to now is 259.2 secs Computing kpt #: 393 total cpu time spent up to now is 259.6 secs Computing kpt #: 394 total cpu time spent up to now is 260.0 secs Computing kpt #: 395 total cpu time spent up to now is 260.5 secs Computing kpt #: 396 total cpu time spent up to now is 260.9 secs Computing kpt #: 397 total cpu time spent up to now is 261.3 secs Computing kpt #: 398 total cpu time spent up to now is 261.8 secs Computing kpt #: 399 total cpu time spent up to now is 262.2 secs Computing kpt #: 400 total cpu time spent up to now is 262.7 secs Computing kpt #: 401 total cpu time spent up to now is 263.1 secs Computing kpt #: 402 total cpu time spent up to now is 263.5 secs Computing kpt #: 403 total cpu time spent up to now is 264.0 secs ethr = 3.13E-11, avg # of iterations = 21.4 total cpu time spent up to now is 264.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2411 PWs) bands (ev): -12.5175 -12.5175 -10.2861 -10.2861 -9.9677 -9.9677 -2.0040 -2.0040 1.2747 1.2747 1.5060 1.5060 3.0739 3.0739 3.6977 3.6977 3.7097 3.7097 3.8585 3.8585 4.0248 4.0248 4.9565 4.9565 5.0128 5.0128 6.3458 6.3458 7.9931 7.9931 8.0101 8.0101 8.1257 8.1257 8.4441 8.4441 9.6749 9.6749 12.6175 12.6175 k = 0.0000 0.0116-0.0000 ( 2411 PWs) bands (ev): -12.5173 -12.5162 -10.2869 -10.2865 -9.9678 -9.9674 -2.0052 -2.0046 1.2723 1.2783 1.5064 1.5067 3.0632 3.0788 3.6971 3.6975 3.7096 3.7099 3.8494 3.8719 4.0265 4.0276 4.9511 4.9576 5.0099 5.0113 6.3469 6.3474 7.9590 7.9791 8.0216 8.0360 8.1132 8.1453 8.4429 8.4442 9.6761 9.6787 12.5743 12.6557 k = 0.0000 0.0233-0.0000 ( 2413 PWs) bands (ev): -12.5155 -12.5133 -10.2888 -10.2879 -9.9676 -9.9670 -2.0083 -2.0070 1.2709 1.2829 1.5079 1.5084 3.0473 3.0777 3.6962 3.6966 3.7098 3.7103 3.8454 3.8872 4.0323 4.0364 4.9413 4.9545 5.0026 5.0057 6.3506 6.3515 7.9178 7.9498 8.0322 8.0629 8.1116 8.1694 8.4405 8.4429 9.6822 9.6877 12.5263 12.6887 k = 0.0000 0.0349-0.0000 ( 2413 PWs) bands (ev): -12.5122 -12.5089 -10.2919 -10.2905 -9.9673 -9.9664 -2.0131 -2.0112 1.2706 1.2887 1.5104 1.5111 3.0270 3.0706 3.6952 3.6952 3.7102 3.7108 3.8460 3.9015 4.0423 4.0531 4.9271 4.9473 4.9910 4.9963 6.3568 6.3582 7.8746 7.9154 8.0395 8.0743 8.1271 8.1957 8.4373 8.4404 9.6929 9.7018 12.4738 12.7164 k = 0.0000 0.0465-0.0000 ( 2409 PWs) bands (ev): -12.5073 -12.5029 -10.2960 -10.2942 -9.9668 -9.9656 -2.0197 -2.0171 1.2714 1.2955 1.5141 1.5148 3.0033 3.0580 3.6937 3.6943 3.7108 3.7115 3.8494 3.9120 4.0569 4.0791 4.9084 4.9359 4.9754 4.9836 6.3654 6.3674 7.8301 7.8775 8.0445 8.0758 8.1521 8.2223 8.4335 8.4367 9.7078 9.7210 12.4171 12.7390 k = 0.0000 0.0581-0.0000 ( 2415 PWs) bands (ev): -12.5009 -12.4954 -10.3014 -10.2990 -9.9661 -9.9646 -2.0280 -2.0249 1.2732 1.3034 1.5189 1.5195 2.9768 3.0407 3.6924 3.6936 3.7115 3.7123 3.8540 3.9179 4.0769 4.1143 4.8853 4.9199 4.9565 4.9680 6.3762 6.3788 7.7843 7.8374 8.0484 8.0753 8.1770 8.2477 8.4295 8.4320 9.7266 9.7453 12.3567 12.7566 k = 0.0000 0.0698-0.0000 ( 2413 PWs) bands (ev): -12.4929 -12.4863 -10.3079 -10.3050 -9.9652 -9.9634 -2.0379 -2.0342 1.2760 1.3123 1.5250 1.5253 2.9485 3.0196 3.6915 3.6931 3.7125 3.7133 3.8580 3.9198 4.1025 4.1571 4.8580 4.8988 4.9355 4.9501 6.3890 6.3921 7.7379 7.7958 8.0514 8.0746 8.1988 8.2711 8.4262 8.4265 9.7487 9.7743 12.2930 12.7692 k = 0.0000 0.0814-0.0000 ( 2417 PWs) bands (ev): -12.4834 -12.4758 -10.3155 -10.3121 -9.9640 -9.9620 -2.0494 -2.0453 1.2799 1.3222 1.5321 1.5322 2.9190 2.9957 3.6911 3.6929 3.7136 3.7145 3.8602 3.9186 4.1336 4.2058 4.8268 4.8718 4.9135 4.9302 6.4034 6.4072 7.6909 7.7532 8.0540 8.0742 8.2158 8.2910 8.4211 8.4241 9.7738 9.8077 12.2266 12.7772 k = 0.0000 0.0930-0.0000 ( 2415 PWs) bands (ev): -12.4724 -12.4637 -10.3244 -10.3204 -9.9627 -9.9605 -2.0624 -2.0578 1.2847 1.3331 1.5400 1.5407 2.8888 2.9696 3.6912 3.6928 3.7148 3.7158 3.8602 3.9150 4.1696 4.2590 4.7921 4.8391 4.8913 4.9089 6.4194 6.4240 7.6437 7.7101 8.0563 8.0741 8.2269 8.3063 8.4168 8.4244 9.8013 9.8452 12.1581 12.7806 k = 0.0000 0.1047-0.0000 ( 2423 PWs) bands (ev): -12.4599 -12.4501 -10.3345 -10.3299 -9.9611 -9.9587 -2.0767 -2.0719 1.2905 1.3448 1.5490 1.5505 2.8584 2.9423 3.6914 3.6928 3.7161 3.7171 3.8577 3.9093 4.2095 4.3158 4.7548 4.8013 4.8686 4.8864 6.4365 6.4419 7.5964 7.6667 8.0584 8.0741 8.2311 8.3147 8.4155 8.4275 9.8306 9.8864 12.0879 12.7799 k = 0.0000 0.1163-0.0000 ( 2423 PWs) bands (ev): -12.4459 -12.4351 -10.3458 -10.3405 -9.9593 -9.9568 -2.0924 -2.0872 1.2972 1.3574 1.5591 1.5617 2.8281 2.9143 3.6918 3.6928 3.7176 3.7185 3.8527 3.9018 4.2518 4.3754 4.7158 4.7594 4.8455 4.8632 6.4547 6.4610 7.5495 7.6234 8.0605 8.0744 8.2287 8.3150 8.4184 8.4335 9.8611 9.9308 12.0167 12.7751 k = 0.0000 0.1279-0.0000 ( 2427 PWs) bands (ev): -12.4304 -12.4186 -10.3583 -10.3524 -9.9573 -9.9547 -2.1092 -2.1038 1.3048 1.3708 1.5704 1.5742 2.7983 2.8861 3.6923 3.6928 3.7190 3.7199 3.8452 3.8924 4.2945 4.4373 4.6769 4.7137 4.8221 4.8396 6.4736 6.4808 7.5031 7.5805 8.0625 8.0748 8.2203 8.3077 8.4249 8.4417 9.8922 9.9777 11.9450 12.7666 k = 0.0000 0.1395-0.0000 ( 2419 PWs) bands (ev): -12.4135 -12.4007 -10.3721 -10.3655 -9.9551 -9.9524 -2.1271 -2.1216 1.3132 1.3849 1.5830 1.5881 2.7692 2.8583 3.6926 3.6926 3.7205 3.7213 3.8352 3.8813 4.3339 4.5010 4.6417 4.6650 4.7986 4.8160 6.4931 6.5014 7.4576 7.5383 8.0645 8.0754 8.2067 8.2945 8.4334 8.4511 9.9233 10.0264 11.8736 12.7545 k = 0.0000 0.1512-0.0000 ( 2423 PWs) bands (ev): -12.3951 -12.3813 -10.3872 -10.3798 -9.9527 -9.9500 -2.1459 -2.1404 1.3225 1.3996 1.5969 1.6034 2.7410 2.8310 3.6921 3.6928 3.7218 3.7225 3.8228 3.8682 4.3630 4.5653 4.6145 4.6169 4.7754 4.7927 6.5129 6.5222 7.4131 7.4970 8.0664 8.0759 8.1891 8.2771 8.4420 8.4608 9.9538 10.0763 11.8032 12.7391 k = 0.0000 0.1628-0.0000 ( 2421 PWs) bands (ev): -12.3754 -12.3606 -10.4035 -10.3953 -9.9502 -9.9473 -2.1656 -2.1600 1.3325 1.4148 1.6121 1.6201 2.7140 2.8046 3.6913 3.6927 3.7231 3.7236 3.8078 3.8532 4.3712 4.5581 4.6132 4.6343 4.7527 4.7700 6.5327 6.5433 7.3701 7.4568 8.0683 8.0764 8.1684 8.2565 8.4498 8.4702 9.9832 10.1266 11.7343 12.7206 k = 0.0000 0.1744-0.0000 ( 2421 PWs) bands (ev): -12.3542 -12.3385 -10.4211 -10.4121 -9.9474 -9.9446 -2.1860 -2.1804 1.3434 1.4304 1.6288 1.6382 2.6882 2.7793 3.6899 3.6921 3.7242 3.7245 3.7905 3.8361 4.3535 4.5028 4.6354 4.7013 4.7308 4.7483 6.5525 6.5644 7.3287 7.4180 8.0703 8.0764 8.1453 8.2334 8.4563 8.4785 10.0108 10.1762 11.6679 12.6992 k = 0.0000 0.1860-0.0000 ( 2423 PWs) bands (ev): -12.3317 -12.3151 -10.4399 -10.4301 -9.9445 -9.9416 -2.2069 -2.2015 1.3549 1.4464 1.6469 1.6578 2.6638 2.7552 3.6877 3.6910 3.7250 3.7252 3.7707 3.8172 4.3171 4.4454 4.6761 4.7100 4.7281 4.7695 6.5720 6.5854 7.2893 7.3808 8.0722 8.0750 8.1215 8.2081 8.4610 8.4856 10.0363 10.2241 11.6049 12.6753 k = 0.0000 0.1977-0.0000 ( 2421 PWs) bands (ev): -12.3079 -12.2903 -10.4600 -10.4494 -9.9414 -9.9386 -2.2284 -2.2231 1.3671 1.4626 1.6665 1.6788 2.6409 2.7327 3.6844 3.6890 3.7252 3.7256 3.7490 3.7964 4.2706 4.3867 4.6905 4.7047 4.7317 4.8384 6.5912 6.6062 7.2520 7.3454 8.0678 8.0740 8.1013 8.1810 8.4638 8.4910 10.0592 10.2693 11.5463 12.6491 k = 0.0000 0.2093-0.0000 ( 2421 PWs) bands (ev): -12.2827 -12.2643 -10.4814 -10.4700 -9.9382 -9.9354 -2.2501 -2.2450 1.3799 1.4789 1.6876 1.7012 2.6196 2.7116 3.6794 3.6852 3.7193 3.7256 3.7315 3.7743 4.2190 4.3272 4.6725 4.6886 4.7870 4.9076 6.6097 6.6265 7.2172 7.3120 8.0478 8.0758 8.0924 8.1523 8.4645 8.4948 10.0792 10.3104 11.4932 12.6211 k = 0.0000 0.2209-0.0000 ( 2421 PWs) bands (ev): -12.2563 -12.2370 -10.5040 -10.4918 -9.9350 -9.9322 -2.2720 -2.2672 1.3934 1.4953 1.7103 1.7250 2.6000 2.6923 3.6717 3.6764 3.6996 3.7247 3.7292 3.7524 4.1647 4.2670 4.6560 4.6724 4.8471 4.9769 6.6276 6.6465 7.1851 7.2809 8.0192 8.0771 8.0906 8.1225 8.4631 8.4966 10.0960 10.3459 11.4470 12.5915 k = 0.0000 0.2326-0.0000 ( 2429 PWs) bands (ev): -12.2287 -12.2086 -10.5279 -10.5148 -9.9316 -9.9289 -2.2941 -2.2895 1.4074 1.5117 1.7346 1.7502 2.5820 2.6746 3.6544 3.6596 3.6870 3.7193 3.7292 3.7356 4.1091 4.2066 4.6411 4.6576 4.9094 5.0462 6.6447 6.6658 7.1559 7.2521 7.9872 8.0752 8.0908 8.0946 8.4595 8.4964 10.1094 10.3746 11.4088 12.5606 k = 0.0000 0.2442-0.0000 ( 2433 PWs) bands (ev): -12.1998 -12.1790 -10.5530 -10.5390 -9.9281 -9.9255 -2.3161 -2.3118 1.4219 1.5280 1.7604 1.7768 2.5659 2.6588 3.6232 3.6412 3.6794 3.7045 3.7295 3.7309 4.0530 4.1464 4.6280 4.6443 4.9730 5.1153 6.6609 6.6845 7.1299 7.2258 7.9535 8.0530 8.0857 8.0916 8.4537 8.4941 10.1195 10.3952 11.3798 12.5289 k = 0.0000 0.2558-0.0000 ( 2433 PWs) bands (ev): -12.1698 -12.1482 -10.5793 -10.5645 -9.9246 -9.9221 -2.3379 -2.3339 1.4369 1.5442 1.7877 1.8047 2.5517 2.6448 3.5881 3.6155 3.6718 3.6892 3.7299 3.7302 3.9972 4.0867 4.6165 4.6327 5.0375 5.1839 6.6762 6.7024 7.1072 7.2024 7.9186 8.0202 8.0863 8.0928 8.4456 8.4897 10.1261 10.4067 11.3609 12.4966 k = 0.0000 0.2674-0.0000 ( 2421 PWs) bands (ev): -12.1387 -12.1163 -10.6068 -10.5911 -9.9211 -9.9187 -2.3594 -2.3557 1.4523 1.5602 1.8164 1.8340 2.5394 2.6327 3.5503 3.5840 3.6628 3.6751 3.7303 3.7303 3.9424 4.0280 4.6067 4.6226 5.1023 5.2519 6.6907 6.7198 7.0881 7.1818 7.8827 7.9856 8.0880 8.0942 8.4353 8.4833 10.1295 10.4091 11.3521 12.4639 k = 0.0000 0.2791-0.0000 ( 2425 PWs) bands (ev): -12.1065 -12.0835 -10.6354 -10.6189 -9.9176 -9.9152 -2.3806 -2.3772 1.4680 1.5760 1.8466 1.8645 2.5289 2.6225 3.5102 3.5484 3.6517 3.6610 3.7307 3.7307 3.8893 3.9707 4.5984 4.6139 5.1672 5.3189 6.7041 6.7362 7.0723 7.1640 7.8462 7.9500 8.0898 8.0956 8.4227 8.4745 10.1298 10.4025 11.3530 12.4309 k = 0.0000 0.2907-0.0000 ( 2425 PWs) bands (ev): -12.0732 -12.0496 -10.6652 -10.6479 -9.9141 -9.9118 -2.4013 -2.3982 1.4841 1.5915 1.8781 1.8963 2.5205 2.6142 3.4681 3.5097 3.6377 3.6455 3.7308 3.7312 3.8389 3.9155 4.5915 4.6066 5.2319 5.3848 6.7168 6.7518 7.0601 7.1492 7.8091 7.9137 8.0916 8.0970 8.4079 8.4634 10.1272 10.3883 11.3624 12.3980 k = 0.0000 0.3023-0.0000 ( 2421 PWs) bands (ev): -12.0390 -12.0147 -10.6961 -10.6779 -9.9106 -9.9085 -2.4214 -2.4186 1.5004 1.6066 1.9109 1.9292 2.5140 2.6079 3.4244 3.4687 3.6199 3.6276 3.7304 3.7318 3.7931 3.8631 4.5859 4.6005 5.2963 5.4493 6.7287 6.7666 7.0514 7.1376 7.7718 7.8770 8.0934 8.0984 8.3909 8.4502 10.1223 10.3679 11.3788 12.3651 k = 0.0000 0.3140-0.0000 ( 2418 PWs) bands (ev): -12.0038 -11.9790 -10.7281 -10.7091 -9.9072 -9.9052 -2.4408 -2.4383 1.5168 1.6213 1.9450 1.9634 2.5095 2.6034 3.3793 3.4260 3.5966 3.6065 3.7268 3.7325 3.7560 3.8147 4.5815 4.5955 5.3600 5.5122 6.7400 6.7805 7.0461 7.1290 7.7344 7.8400 8.0952 8.0997 8.3718 8.4347 10.1152 10.3430 11.4007 12.3324 k = 0.0000 0.3256-0.0000 ( 2420 PWs) bands (ev): -11.9678 -11.9425 -10.7611 -10.7413 -9.9039 -9.9019 -2.4595 -2.4572 1.5334 1.6355 1.9801 1.9986 2.5070 2.6007 3.3331 3.3817 3.5667 3.5810 3.7087 3.7332 3.7403 3.7711 4.5781 4.5915 5.4227 5.5730 6.7509 6.7934 7.0439 7.1235 7.6970 7.8028 8.0968 8.1009 8.3508 8.4170 10.1065 10.3149 11.4264 12.3000 k = 0.0000 0.3372-0.0000 ( 2420 PWs) bands (ev): -11.9310 -11.9051 -10.7950 -10.7745 -9.9006 -9.8988 -2.4773 -2.4753 1.5500 1.6491 2.0163 2.0349 2.5065 2.5999 3.2860 3.3362 3.5306 3.5507 3.6841 3.7334 3.7341 3.7380 4.5756 4.5883 5.4842 5.6317 6.7616 6.8055 7.0447 7.1211 7.6599 7.7658 8.0983 8.1020 8.3282 8.3973 10.0965 10.2852 11.4549 12.2679 k = 0.0000 0.3488-0.0000 ( 2414 PWs) bands (ev): -11.8933 -11.8671 -10.8299 -10.8087 -9.8975 -9.8959 -2.4941 -2.4924 1.5664 1.6620 2.0536 2.0723 2.5080 2.6008 3.2384 3.2898 3.4899 3.5155 3.6627 3.7017 3.7348 3.7378 4.5739 4.5859 5.5444 5.6878 6.7723 6.8168 7.0482 7.1217 7.6232 7.7291 8.0996 8.1030 8.3041 8.3757 10.0857 10.2549 11.4849 12.2362 k = 0.0000 0.3605-0.0000 ( 2412 PWs) bands (ev): -11.8550 -11.8284 -10.8657 -10.8437 -9.8946 -9.8930 -2.5100 -2.5086 1.5828 1.6742 2.0917 2.1106 2.5114 2.6032 3.1904 3.2426 3.4467 3.4767 3.6446 3.6752 3.7356 3.7381 4.5728 4.5840 5.6028 5.7409 6.7830 6.8270 7.0542 7.1253 7.5872 7.6929 8.1005 8.1037 8.2790 8.3524 10.0744 10.2249 11.5158 12.2048 k = 0.0000 0.3721-0.0000 ( 2420 PWs) bands (ev): -11.8160 -11.7891 -10.9023 -10.8797 -9.8918 -9.8903 -2.5249 -2.5237 1.5988 1.6855 2.1306 2.1497 2.5167 2.6071 3.1423 3.1950 3.4026 3.4356 3.6287 3.6527 3.7363 3.7385 4.5722 4.5827 5.6591 5.7909 6.7936 6.8362 7.0624 7.1316 7.5520 7.6573 8.1009 8.1040 8.2533 8.3277 10.0630 10.1958 11.5470 12.1740 k = 0.0000 0.3837-0.0000 ( 2418 PWs) bands (ev): -11.7765 -11.7493 -10.9396 -10.9164 -9.8892 -9.8878 -2.5386 -2.5376 1.6145 1.6958 2.1703 2.1897 2.5238 2.6123 3.0943 3.1471 3.3588 3.3936 3.6143 3.6333 3.7370 3.7390 4.5721 4.5817 5.7131 5.8373 6.8045 6.8448 7.0727 7.1406 7.5177 7.6226 8.1007 8.1040 8.2278 8.3018 10.0520 10.1681 11.5780 12.1436 k = 0.0000 0.3953-0.0000 ( 2412 PWs) bands (ev): -11.7365 -11.7091 -10.9776 -10.9538 -9.8867 -9.8855 -2.5512 -2.5503 1.6298 1.7051 2.2106 2.2304 2.5326 2.6185 3.0468 3.0990 3.3161 3.3518 3.6012 3.6163 3.7377 3.7395 4.5724 4.5811 5.7643 5.8799 6.8152 6.8524 7.0850 7.1522 7.4848 7.5889 8.0992 8.1034 8.2034 8.2755 10.0415 10.1422 11.6087 12.1136 k = 0.0000 0.4070-0.0000 ( 2414 PWs) bands (ev): -11.6961 -11.6685 -11.0162 -10.9919 -9.8845 -9.8835 -2.5626 -2.5618 1.6444 1.7132 2.2514 2.2718 2.5428 2.6253 2.9997 3.0510 3.2752 3.3111 3.5892 3.6012 3.7384 3.7399 4.5729 4.5807 5.8125 5.9182 6.8257 6.8592 7.0990 7.1660 7.4531 7.5563 8.0959 8.1021 8.1815 8.2492 10.0319 10.1182 11.6389 12.0842 k = 0.0000 0.4186-0.0000 ( 2418 PWs) bands (ev): -11.6554 -11.6278 -11.0552 -11.0305 -9.8825 -9.8816 -2.5727 -2.5721 1.6583 1.7199 2.2927 2.3136 2.5544 2.6324 2.9535 3.0033 3.2367 3.2722 3.5783 3.5878 3.7390 3.7403 4.5735 4.5805 5.8571 5.9520 6.8356 6.8650 7.1143 7.1817 7.4230 7.5250 8.0897 8.0996 8.1637 8.2239 10.0233 10.0965 11.6685 12.0552 k = 0.0000 0.4302-0.0000 ( 2410 PWs) bands (ev): -11.6145 -11.5870 -11.0945 -11.0695 -9.8807 -9.8799 -2.5815 -2.5811 1.6713 1.7254 2.3341 2.3557 2.5670 2.6391 2.9084 2.9562 3.2015 3.2357 3.5686 3.5760 3.7395 3.7407 4.5743 4.5803 5.8980 5.9811 6.8449 6.8699 7.1311 7.1992 7.3946 7.4951 8.0801 8.0954 8.1513 8.2008 10.0162 10.0770 11.6974 12.0266 k = 0.0000 0.4419-0.0000 ( 2410 PWs) bands (ev): -11.5736 -11.5464 -11.1339 -11.1087 -9.8792 -9.8785 -2.5891 -2.5887 1.6834 1.7293 2.3756 2.3977 2.5801 2.6447 2.8650 2.9098 3.1702 3.2022 3.5602 3.5659 3.7400 3.7410 4.5752 4.5802 5.9345 6.0050 6.8533 6.8739 7.1486 7.2178 7.3683 7.4665 8.0682 8.0889 8.1440 8.1810 10.0104 10.0599 11.7258 11.9985 k = 0.0000 0.4535-0.0000 ( 2418 PWs) bands (ev): -11.5331 -11.5064 -11.1729 -11.1479 -9.8779 -9.8774 -2.5953 -2.5950 1.6944 1.7317 2.4167 2.4392 2.5930 2.6480 2.8239 2.8649 3.1438 3.1723 3.5532 3.5575 3.7404 3.7412 4.5760 4.5800 5.9664 6.0236 6.8605 6.8768 7.1668 7.2366 7.3446 7.4393 8.0562 8.0798 8.1402 8.1656 10.0064 10.0451 11.7538 11.9708 k = 0.0000 0.4651-0.0000 ( 2414 PWs) bands (ev): -11.4933 -11.4677 -11.2109 -11.1865 -9.8769 -9.8765 -2.6001 -2.5999 1.7043 1.7326 2.4570 2.4792 2.6048 2.6475 2.7871 2.8225 3.1233 3.1467 3.5477 3.5507 3.7408 3.7414 4.5768 4.5799 5.9933 6.0367 6.8668 6.8788 7.1854 7.2539 7.3251 7.4134 8.0465 8.0687 8.1386 8.1549 10.0041 10.0327 11.7813 11.9434 k = 0.0000 0.4767-0.0000 ( 2424 PWs) bands (ev): -11.4554 -11.4324 -11.2458 -11.2236 -9.8762 -9.8759 -2.6036 -2.6035 1.7127 1.7318 2.4953 2.5156 2.6139 2.6414 2.7576 2.7844 3.1093 3.1261 3.5438 3.5457 3.7411 3.7414 4.5776 4.5796 6.0148 6.0440 6.8717 6.8796 7.2040 7.2629 7.3158 7.3885 8.0403 8.0573 8.1383 8.1478 10.0037 10.0225 11.8084 11.9162 k = 0.0000 0.4884-0.0000 ( 2424 PWs) bands (ev): -11.4221 -11.4061 -11.2719 -11.2563 -9.8757 -9.8756 -2.6057 -2.6056 1.7198 1.7293 2.5287 2.5429 2.6186 2.6298 2.7402 2.7547 3.1027 3.1115 3.5416 3.5426 3.7413 3.7415 4.5782 4.5793 6.0309 6.0455 6.8755 6.8794 7.2225 7.2561 7.3243 7.3649 8.0384 8.0475 8.1389 8.1434 10.0052 10.0145 11.8354 11.8892 k = 0.0000 0.5000-0.0000 ( 2424 PWs) bands (ev): -11.4013 -11.4013 -11.2767 -11.2767 -9.8755 -9.8755 -2.6063 -2.6063 1.7253 1.7253 2.5490 2.5490 2.6208 2.6208 2.7388 2.7388 3.1035 3.1035 3.5412 3.5412 3.7414 3.7414 4.5788 4.5788 6.0411 6.0411 6.8780 6.8780 7.2404 7.2404 7.3429 7.3429 8.0409 8.0409 8.1406 8.1406 10.0088 10.0088 11.8623 11.8623 k = 0.0000 0.5000-0.0000 ( 2424 PWs) bands (ev): -11.4013 -11.4013 -11.2767 -11.2767 -9.8755 -9.8755 -2.6063 -2.6063 1.7253 1.7253 2.5490 2.5490 2.6208 2.6208 2.7388 2.7388 3.1035 3.1035 3.5412 3.5412 3.7414 3.7414 4.5788 4.5788 6.0411 6.0411 6.8780 6.8780 7.2404 7.2404 7.3429 7.3429 8.0409 8.0409 8.1406 8.1406 10.0088 10.0088 11.8623 11.8623 k = 0.0116 0.5000-0.0000 ( 2428 PWs) bands (ev): -11.4017 -11.4001 -11.2766 -11.2763 -9.8757 -9.8754 -2.6075 -2.6075 1.7219 1.7285 2.5059 2.5541 2.6209 2.6333 2.7326 2.7575 3.0707 3.1480 3.5431 3.5452 3.7413 3.7420 4.5769 4.5772 6.0263 6.0509 6.8623 6.8921 7.2336 7.2479 7.3410 7.3440 8.0038 8.0615 8.1202 8.1783 10.0053 10.0150 11.8534 11.8722 k = 0.0233 0.5000-0.0000 ( 2428 PWs) bands (ev): -11.4011 -11.3980 -11.2758 -11.2752 -9.8759 -9.8754 -2.6111 -2.6109 1.7183 1.7315 2.4531 2.5234 2.5980 2.6672 2.7528 2.7694 3.0586 3.1970 3.5505 3.5560 3.7418 3.7431 4.5716 4.5722 6.0067 6.0555 6.8455 6.9040 7.2276 7.2558 7.3383 7.3445 7.9644 8.0389 8.1436 8.2190 10.0044 10.0238 11.8454 11.8828 k = 0.0349 0.5000-0.0000 ( 2428 PWs) bands (ev): -11.3997 -11.3951 -11.2745 -11.2735 -9.8762 -9.8754 -2.6169 -2.6166 1.7142 1.7341 2.3972 2.4843 2.5618 2.6884 2.7772 2.7869 3.0709 3.2453 3.5636 3.5751 3.7428 3.7448 4.5629 4.5638 5.9825 6.0548 6.8279 6.9136 7.2225 7.2638 7.3347 7.3442 7.9249 8.0023 8.1819 8.2607 10.0063 10.0353 11.8387 11.8941 k = 0.0465 0.5000-0.0000 ( 2416 PWs) bands (ev): -11.3973 -11.3912 -11.2726 -11.2713 -9.8765 -9.8755 -2.6249 -2.6245 1.7096 1.7363 2.3401 2.4433 2.5222 2.6758 2.8011 2.8254 3.1013 3.2889 3.5830 3.6042 3.7444 3.7470 4.5510 4.5521 5.9538 6.0485 6.8104 6.9210 7.2183 7.2718 7.3302 7.3432 7.8859 7.9639 8.2227 8.3026 10.0107 10.0495 11.8332 11.9059 k = 0.0581 0.5000-0.0000 ( 2416 PWs) bands (ev): -11.3941 -11.3865 -11.2700 -11.2684 -9.8769 -9.8756 -2.6354 -2.6347 1.7043 1.7379 2.2829 2.4024 2.4830 2.6404 2.8372 2.8650 3.1404 3.3255 3.6095 3.6444 3.7464 3.7497 4.5360 4.5373 5.9208 6.0365 6.7931 6.9257 7.2148 7.2794 7.3246 7.3414 7.8477 7.9255 8.2640 8.3445 10.0178 10.0662 11.8292 11.9182 k = 0.0698 0.5000-0.0000 ( 2412 PWs) bands (ev): -11.3901 -11.3810 -11.2669 -11.2650 -9.8774 -9.8759 -2.6481 -2.6471 1.6981 1.7384 2.2263 2.3625 2.4457 2.5966 2.8761 2.9043 3.1814 3.3546 3.6438 3.6953 3.7490 3.7531 4.5181 4.5196 5.8835 6.0186 6.7768 6.9283 7.2119 7.2864 7.3178 7.3388 7.8105 7.8876 8.3054 8.3860 10.0275 10.0854 11.8268 11.9309 k = 0.0814 0.5000-0.0000 ( 2408 PWs) bands (ev): -11.3852 -11.3747 -11.2633 -11.2610 -9.8779 -9.8762 -2.6631 -2.6617 1.6907 1.7376 2.1710 2.3245 2.4112 2.5505 2.9148 2.9429 3.2202 3.3772 3.6862 3.7504 3.7565 3.7573 4.4976 4.4992 5.8421 5.9948 6.7616 6.9289 7.2092 7.2925 7.3099 7.3352 7.7746 7.8506 8.3464 8.4271 10.0397 10.1071 11.8261 11.9439 k = 0.0930 0.5000-0.0000 ( 2408 PWs) bands (ev): -11.3795 -11.3676 -11.2591 -11.2565 -9.8786 -9.8765 -2.6803 -2.6785 1.6819 1.7348 2.1172 2.2893 2.3803 2.5045 2.9524 2.9803 3.2550 3.3953 3.7338 3.7549 3.7649 3.8215 4.4747 4.4765 5.7968 5.9652 6.7478 6.9278 7.2065 7.2958 7.3022 7.3306 7.7401 7.8145 8.3869 8.4675 10.0543 10.1312 11.8273 11.9572 k = 0.1047 0.5000-0.0000 ( 2408 PWs) bands (ev): -11.3730 -11.3597 -11.2544 -11.2514 -9.8792 -9.8770 -2.6997 -2.6974 1.6715 1.7295 2.0653 2.2575 2.3533 2.4603 2.9884 3.0163 3.2852 3.4103 3.7585 3.7590 3.8027 3.8922 4.4497 4.4516 5.7476 5.9299 6.7356 6.9254 7.2033 7.2876 7.3035 7.3249 7.7072 7.7794 8.4267 8.5069 10.0714 10.1576 11.8305 11.9706 k = 0.1163 0.5000-0.0000 ( 2406 PWs) bands (ev): -11.3657 -11.3511 -11.2491 -11.2458 -9.8800 -9.8775 -2.7213 -2.7184 1.6594 1.7210 2.0156 2.2300 2.3308 2.4184 3.0226 3.0507 3.3112 3.4235 3.7622 3.7654 3.8660 3.9659 4.4231 4.4250 5.6947 5.8892 6.7251 6.9220 7.1995 7.2749 7.3063 7.3181 7.6760 7.7454 8.4656 8.5454 10.0907 10.1861 11.8357 11.9842 k = 0.1279 0.5000-0.0000 ( 2410 PWs) bands (ev): -11.3578 -11.3418 -11.2434 -11.2397 -9.8808 -9.8781 -2.7449 -2.7413 1.6455 1.7087 1.9682 2.2075 2.3128 2.3796 3.0549 3.0834 3.3338 3.4356 3.7661 3.7701 3.9358 4.0414 4.3950 4.3970 5.6383 5.8434 6.7160 6.9178 7.1949 7.2602 7.3081 7.3101 7.6465 7.7125 8.5035 8.5826 10.1121 10.2166 11.8430 11.9979 k = 0.1395 0.5000-0.0000 ( 2406 PWs) bands (ev): -11.3491 -11.3319 -11.2373 -11.2332 -9.8817 -9.8788 -2.7705 -2.7662 1.6298 1.6923 1.9234 2.1905 2.2996 2.3442 3.0851 3.1141 3.3536 3.4470 3.7698 3.7744 4.0096 4.1179 4.3659 4.3680 5.5787 5.7929 6.7084 6.9131 7.1893 7.2438 7.3009 7.3087 7.6189 7.6808 8.5403 8.6187 10.1356 10.2489 11.8526 12.0118 k = 0.1512 0.5000-0.0000 ( 2408 PWs) bands (ev): -11.3397 -11.3214 -11.2306 -11.2262 -9.8826 -9.8796 -2.7981 -2.7928 1.6122 1.6717 1.8816 2.1790 2.2911 2.3125 3.1133 3.1430 3.3715 3.4582 3.7733 3.7783 4.0858 4.1948 4.3363 4.3385 5.5159 5.7380 6.7021 6.9081 7.1826 7.2256 7.2904 7.3080 7.5931 7.6502 8.5760 8.6533 10.1609 10.2828 11.8645 12.0258 k = 0.1628 0.5000-0.0000 ( 2404 PWs) bands (ev): -11.3298 -11.3103 -11.2236 -11.2188 -9.8836 -9.8804 -2.8274 -2.8212 1.5926 1.6471 1.8432 2.1728 2.2849 2.2872 3.1394 3.1698 3.3878 3.4693 3.7763 3.7816 4.1630 4.2710 4.3069 4.3096 5.4502 5.6792 6.6969 6.9028 7.1749 7.2059 7.2789 7.3059 7.5691 7.6208 8.6104 8.6865 10.1879 10.3181 11.8786 12.0399 k = 0.1744 0.5000-0.0000 ( 2408 PWs) bands (ev): -11.3193 -11.2987 -11.2163 -11.2111 -9.8847 -9.8814 -2.8584 -2.8512 1.5709 1.6189 1.8088 2.1715 2.2616 2.2874 3.1634 3.1947 3.4030 3.4804 3.7785 3.7841 4.2349 4.2758 4.2868 4.3485 5.3817 5.6169 6.6925 6.8971 7.1660 7.1850 7.2662 7.3024 7.5466 7.5924 8.6435 8.7182 10.2164 10.3544 11.8950 12.0543 k = 0.1860 0.5000-0.0000 ( 2408 PWs) bands (ev): -11.3083 -11.2867 -11.2085 -11.2030 -9.8859 -9.8824 -2.8908 -2.8827 1.5469 1.5878 1.7791 2.1739 2.2430 2.2916 3.1854 3.2175 3.4174 3.4915 3.7798 3.7855 4.2416 4.2468 4.3301 4.4237 5.3108 5.5513 6.6891 6.8915 7.1562 7.1631 7.2527 7.2977 7.5255 7.5651 8.6752 8.7483 10.2462 10.3915 11.9135 12.0689 k = 0.1977 0.5000-0.0000 ( 2408 PWs) bands (ev): -11.2968 -11.2742 -11.2005 -11.1946 -9.8871 -9.8835 -2.9247 -2.9155 1.5204 1.5545 1.7547 2.1787 2.2302 2.2993 3.2052 3.2383 3.4311 3.5027 3.7798 3.7857 4.2158 4.2185 4.4065 4.4978 5.2377 5.4831 6.6863 6.8858 7.1404 7.1454 7.2384 7.2917 7.5056 7.5386 8.7055 8.7768 10.2770 10.4291 11.9342 12.0839 k = 0.2093 0.5000-0.0000 ( 2412 PWs) bands (ev): -11.2849 -11.2615 -11.1922 -11.1859 -9.8884 -9.8847 -2.9597 -2.9495 1.4915 1.5196 1.7359 2.1834 2.2250 2.3102 3.2231 3.2571 3.4443 3.5141 3.7782 3.7843 4.1892 4.1916 4.4843 4.5704 5.1627 5.4124 6.6841 6.8799 7.1175 7.1339 7.2234 7.2845 7.4867 7.5129 8.7344 8.8038 10.3086 10.4668 11.9568 12.0993 k = 0.2209 0.5000-0.0000 ( 2412 PWs) bands (ev): -11.2727 -11.2485 -11.1837 -11.1769 -9.8897 -9.8859 -2.9957 -2.9844 1.4605 1.4837 1.7228 2.1858 2.2290 2.3239 3.2391 3.2741 3.4571 3.5255 3.7748 3.7811 4.1638 4.1664 4.5615 4.6409 5.0859 5.3399 6.6824 6.8739 7.0945 7.1219 7.2081 7.2762 7.4686 7.4880 8.7619 8.8293 10.3409 10.5044 11.9813 12.1151 k = 0.2326 0.5000-0.0000 ( 2412 PWs) bands (ev): -11.2601 -11.2353 -11.1749 -11.1678 -9.8911 -9.8873 -3.0324 -3.0202 1.4279 1.4472 1.7152 2.1870 2.2406 2.3401 3.2533 3.2892 3.4694 3.5370 3.7694 3.7761 4.1400 4.1430 4.6372 4.7089 5.0079 5.2662 6.6811 6.8678 7.0717 7.1095 7.1924 7.2668 7.4510 7.4636 8.7882 8.8533 10.3735 10.5414 12.0075 12.1316 k = 0.2442 0.5000-0.0000 ( 2410 PWs) bands (ev): -11.2474 -11.2219 -11.1660 -11.1585 -9.8926 -9.8887 -3.0697 -3.0566 1.3943 1.4106 1.7128 2.1897 2.2566 2.3584 3.2657 3.3025 3.4813 3.5486 3.7621 3.7692 4.1181 4.1216 4.7107 4.7731 4.9293 5.1926 6.6802 6.8617 7.0496 7.0970 7.1767 7.2566 7.4339 7.4398 8.8130 8.8758 10.4064 10.5777 12.0353 12.1487 k = 0.2558 0.5000-0.0000 ( 2410 PWs) bands (ev): -11.2345 -11.2086 -11.1570 -11.1491 -9.8941 -9.8902 -3.1074 -3.0934 1.3601 1.3741 1.7153 2.1952 2.2753 2.3786 3.2764 3.3142 3.4927 3.5601 3.7528 3.7606 4.0980 4.1022 4.7776 4.8308 4.8546 5.1220 6.6795 6.8553 7.0283 7.0845 7.1609 7.2455 7.4164 7.4170 8.8365 8.8969 10.4391 10.6128 12.0642 12.1665 k = 0.2674 0.5000-0.0000 ( 2410 PWs) bands (ev): -11.2216 -11.1952 -11.1479 -11.1396 -9.8957 -9.8918 -3.1452 -3.1305 1.3259 1.3382 1.7223 2.2040 2.2957 2.4004 3.2855 3.3242 3.5037 3.5715 3.7420 3.7504 4.0797 4.0846 4.7587 4.8629 4.8723 5.0640 6.6792 6.8488 7.0079 7.0724 7.1452 7.2338 7.3934 7.4004 8.8587 8.9166 10.4717 10.6466 12.0942 12.1851 k = 0.2791 0.5000-0.0000 ( 2412 PWs) bands (ev): -11.2086 -11.1820 -11.1387 -11.1301 -9.8973 -9.8934 -3.1830 -3.1676 1.2920 1.3030 1.7335 2.2162 2.3174 2.4236 3.2931 3.3328 3.5140 3.5828 3.7299 3.7391 4.0628 4.0684 4.6808 4.8701 4.9277 5.0464 6.6791 6.8420 6.9888 7.0608 7.1298 7.2215 7.3707 7.3837 8.8797 8.9349 10.5038 10.6787 12.1250 12.2045 k = 0.2907 0.5000-0.0000 ( 2414 PWs) bands (ev): -11.1957 -11.1690 -11.1295 -11.1206 -9.8989 -9.8950 -3.2204 -3.2044 1.2588 1.2686 1.7487 2.2317 2.3400 2.4480 3.2994 3.3399 3.5236 3.5938 3.7170 3.7272 4.0469 4.0533 4.6002 4.8176 4.9927 5.0757 6.6793 6.8351 6.9711 7.0499 7.1147 7.2087 7.3483 7.3671 8.8995 8.9520 10.5353 10.7090 12.1563 12.2247 k = 0.3023 0.5000-0.0000 ( 2410 PWs) bands (ev): -11.1830 -11.1563 -11.1203 -11.1112 -9.9005 -9.8967 -3.2572 -3.2409 1.2264 1.2354 1.7676 2.2502 2.3633 2.4733 3.3046 3.3457 3.5323 3.6045 3.7039 3.7151 4.0318 4.0390 4.5195 4.7454 5.0555 5.1216 6.6797 6.8280 6.9550 7.0399 7.1001 7.1958 7.3261 7.3504 8.9181 8.9679 10.5661 10.7372 12.1878 12.2455 k = 0.3140 0.5000-0.0000 ( 2410 PWs) bands (ev): -11.1704 -11.1441 -11.1112 -11.1019 -9.9022 -9.8984 -3.2932 -3.2767 1.1952 1.2034 1.7900 2.2714 2.3871 2.4992 3.3087 3.3503 3.5401 3.6148 3.6910 3.7031 4.0170 4.0249 4.4396 4.6668 5.1156 5.1709 6.6804 6.8208 6.9403 7.0309 7.0861 7.1826 7.3043 7.3337 8.9356 8.9825 10.5960 10.7634 12.2192 12.2670 k = 0.3256 0.5000-0.0000 ( 2408 PWs) bands (ev): -11.1582 -11.1323 -11.1021 -11.0928 -9.9038 -9.9002 -3.3283 -3.3117 1.1653 1.1728 1.8157 2.2949 2.4115 2.5257 3.3119 3.3538 3.5465 3.6243 3.6789 3.6918 4.0023 4.0108 4.3611 4.5859 5.1729 5.2197 6.6815 6.8135 6.9274 7.0230 7.0726 7.1695 7.2828 7.3169 8.9520 8.9960 10.6249 10.7873 12.2502 12.2889 k = 0.3372 0.5000-0.0000 ( 2408 PWs) bands (ev): -11.1463 -11.1211 -11.0930 -11.0839 -9.9054 -9.9019 -3.3621 -3.3456 1.1367 1.1437 1.8444 2.3200 2.4365 2.5525 3.3145 3.3565 3.5515 3.6328 3.6681 3.6813 3.9873 3.9964 4.2845 4.5041 5.2270 5.2667 6.6827 6.8060 6.9161 7.0163 7.0599 7.1565 7.2616 7.3000 8.9673 9.0084 10.6527 10.8090 12.2805 12.3110 k = 0.3488 0.5000-0.0000 ( 2416 PWs) bands (ev): -11.1349 -11.1107 -11.0841 -11.0753 -9.9070 -9.9036 -3.3946 -3.3783 1.1098 1.1162 1.8759 2.3457 2.4625 2.5794 3.3168 3.3585 3.5546 3.6389 3.6601 3.6717 3.9719 3.9816 4.2106 4.4223 5.2779 5.3113 6.6842 6.7984 6.9066 7.0108 7.0480 7.1437 7.2408 7.2830 8.9815 9.0198 10.6793 10.8283 12.3097 12.3332 k = 0.3605 0.5000-0.0000 ( 2416 PWs) bands (ev): -11.1240 -11.1011 -11.0753 -11.0670 -9.9085 -9.9053 -3.4254 -3.4096 1.0845 1.0904 1.9099 2.3710 2.4901 2.6061 3.3190 3.3600 3.5555 3.6393 3.6581 3.6632 3.9559 3.9662 4.1405 4.3411 5.3255 5.3533 6.6862 6.7910 6.8987 7.0065 7.0370 7.1314 7.2204 7.2660 8.9948 9.0301 10.7046 10.8454 12.3377 12.3551 k = 0.3721 0.5000-0.0000 ( 2416 PWs) bands (ev): -11.1137 -11.0922 -11.0667 -11.0591 -9.9100 -9.9070 -3.4543 -3.4391 1.0609 1.0663 1.9461 2.3944 2.5199 2.6327 3.3213 3.3613 3.5537 3.6345 3.6554 3.6614 3.9394 3.9503 4.0751 4.2611 5.3696 5.3924 6.6883 6.7836 6.8926 7.0032 7.0271 7.1196 7.2007 7.2490 9.0070 9.0394 10.7286 10.8602 12.3640 12.3765 k = 0.3837 0.5000-0.0000 ( 2406 PWs) bands (ev): -11.1040 -11.0843 -11.0584 -11.0516 -9.9114 -9.9086 -3.4813 -3.4668 1.0392 1.0441 1.9842 2.4147 2.5525 2.6588 3.3241 3.3626 3.5484 3.6291 3.6485 3.6651 3.9223 3.9338 4.0160 4.1831 5.4101 5.4285 6.6909 6.7765 6.8883 7.0003 7.0188 7.1084 7.1816 7.2320 9.0183 9.0477 10.7512 10.8729 12.3884 12.3971 k = 0.3953 0.5000-0.0000 ( 2410 PWs) bands (ev): -11.0950 -11.0772 -11.0506 -11.0445 -9.9126 -9.9101 -3.5061 -3.4926 1.0193 1.0237 2.0239 2.4310 2.5879 2.6842 3.3273 3.3640 3.5389 3.6243 3.6422 3.6672 3.9044 3.9170 3.9647 4.1079 5.4469 5.4615 6.6935 6.7694 6.8855 6.9963 7.0135 7.0980 7.1633 7.2150 9.0286 9.0551 10.7723 10.8835 12.4106 12.4165 k = 0.4070 0.5000-0.0000 ( 2414 PWs) bands (ev): -11.0867 -11.0709 -11.0432 -11.0381 -9.9138 -9.9115 -3.5286 -3.5163 1.0014 1.0054 2.0647 2.4428 2.6256 2.7090 3.3312 3.3657 3.5247 3.6206 3.6368 3.6662 3.8855 3.8999 3.9228 4.0370 5.4800 5.4913 6.6963 6.7627 6.8843 6.9902 7.0122 7.0884 7.1460 7.1983 9.0379 9.0614 10.7920 10.8920 12.4305 12.4345 k = 0.4186 0.5000-0.0000 ( 2418 PWs) bands (ev): -11.0793 -11.0654 -11.0365 -11.0322 -9.9149 -9.9128 -3.5487 -3.5376 0.9856 0.9890 2.1062 2.4499 2.6647 2.7328 3.3358 3.3676 3.5058 3.6180 3.6324 3.6606 3.8654 3.8829 3.8915 3.9723 5.5092 5.5178 6.6993 6.7563 6.8847 6.9828 7.0140 7.0798 7.1299 7.1817 9.0463 9.0669 10.8101 10.8985 12.4478 12.4507 k = 0.4302 0.5000-0.0000 ( 2410 PWs) bands (ev): -11.0726 -11.0608 -11.0305 -11.0271 -9.9158 -9.9140 -3.5662 -3.5564 0.9717 0.9747 2.1478 2.4523 2.7040 2.7556 3.3410 3.3699 3.4836 3.6165 3.6291 3.6481 3.8456 3.8663 3.8692 3.9168 5.5347 5.5409 6.7025 6.7503 6.8868 6.9748 7.0180 7.0724 7.1153 7.1655 9.0538 9.0715 10.8268 10.9031 12.4626 12.4649 k = 0.4419 0.5000-0.0000 ( 2410 PWs) bands (ev): -11.0668 -11.0571 -11.0253 -11.0226 -9.9166 -9.9151 -3.5811 -3.5727 0.9600 0.9625 2.1891 2.4500 2.7417 2.7771 3.3469 3.3722 3.4607 3.6159 3.6261 3.6268 3.8289 3.8500 3.8521 3.8739 5.5562 5.5606 6.7057 6.7447 6.8901 6.9666 7.0235 7.0660 7.1023 7.1497 9.0604 9.0750 10.8419 10.9059 12.4749 12.4770 k = 0.4535 0.5000-0.0000 ( 2418 PWs) bands (ev): -11.0619 -11.0541 -11.0210 -11.0189 -9.9172 -9.9160 -3.5932 -3.5864 0.9505 0.9524 2.2294 2.4429 2.7760 2.7969 3.3532 3.3744 3.4403 3.5941 3.6161 3.6252 3.8163 3.8333 3.8384 3.8460 5.5738 5.5768 6.7089 6.7395 6.8948 6.9581 7.0301 7.0609 7.0913 7.1344 9.0659 9.0777 10.8554 10.9069 12.4848 12.4867 k = 0.4651 0.5000-0.0000 ( 2424 PWs) bands (ev): -11.0578 -11.0520 -11.0175 -11.0160 -9.9177 -9.9168 -3.6026 -3.5974 0.9430 0.9445 2.2680 2.4310 2.8049 2.8145 3.3602 3.3764 3.4256 3.5552 3.6170 3.6242 3.8073 3.8180 3.8277 3.8305 5.5875 5.5894 6.7121 6.7347 6.9006 6.9494 7.0374 7.0571 7.0828 7.1198 9.0705 9.0793 10.8674 10.9062 12.4923 12.4940 k = 0.4767 0.5000-0.0000 ( 2428 PWs) bands (ev): -11.0546 -11.0508 -11.0149 -11.0140 -9.9180 -9.9174 -3.6090 -3.6055 0.9378 0.9388 2.3043 2.4144 2.8264 2.8290 3.3677 3.3777 3.4197 3.5141 3.6183 3.6233 3.8013 3.8075 3.8200 3.8210 5.5974 5.5985 6.7154 6.7303 6.9074 6.9407 7.0446 7.0547 7.0777 7.1060 9.0743 9.0802 10.8779 10.9038 12.4977 12.4990 k = 0.4884 0.5000-0.0000 ( 2440 PWs) bands (ev): -11.0523 -11.0504 -11.0133 -11.0128 -9.9181 -9.9178 -3.6126 -3.6108 0.9347 0.9352 2.3376 2.3931 2.8390 2.8391 3.3739 3.3780 3.4256 3.4760 3.6197 3.6223 3.7982 3.8011 3.8155 3.8157 5.6033 5.6038 6.7188 6.7262 6.9150 6.9319 7.0499 7.0532 7.0776 7.0936 9.0770 9.0799 10.8867 10.8997 12.5011 12.5018 k = 0.5000 0.5000-0.0000 ( 2444 PWs) bands (ev): -11.0509 -11.0509 -11.0126 -11.0126 -9.9180 -9.9180 -3.6132 -3.6132 0.9339 0.9339 2.3674 2.3674 2.8429 2.8429 3.3771 3.3771 3.4451 3.4451 3.6211 3.6211 3.7981 3.7981 3.8140 3.8140 5.6055 5.6055 6.7224 6.7224 6.9233 6.9233 7.0523 7.0523 7.0835 7.0835 9.0789 9.0789 10.8940 10.8940 12.5025 12.5025 k = 0.5000 0.5000-0.0000 ( 2444 PWs) bands (ev): -11.0509 -11.0509 -11.0126 -11.0126 -9.9180 -9.9180 -3.6132 -3.6132 0.9339 0.9339 2.3674 2.3674 2.8429 2.8429 3.3771 3.3771 3.4451 3.4451 3.6211 3.6211 3.7981 3.7981 3.8140 3.8140 5.6055 5.6055 6.7224 6.7224 6.9233 6.9233 7.0523 7.0523 7.0835 7.0835 9.0789 9.0789 10.8940 10.8940 12.5025 12.5025 k = 0.4917 0.4917-0.0000 ( 2436 PWs) bands (ev): -11.0524 -11.0504 -11.0132 -11.0128 -9.9181 -9.9178 -3.6125 -3.6107 0.9347 0.9352 2.3371 2.3934 2.8383 2.8396 3.3738 3.3781 3.4255 3.4763 3.6197 3.6225 3.7983 3.8010 3.8155 3.8157 5.6033 5.6038 6.7188 6.7262 6.9150 6.9320 7.0506 7.0526 7.0774 7.0939 9.0770 9.0800 10.8866 10.8998 12.5011 12.5018 k = 0.4833 0.4833-0.0000 ( 2424 PWs) bands (ev): -11.0552 -11.0510 -11.0145 -11.0138 -9.9180 -9.9174 -3.6088 -3.6053 0.9379 0.9389 2.3031 2.4151 2.8242 2.8307 3.3676 3.3777 3.4199 3.5126 3.6185 3.6251 3.8025 3.8067 3.8203 3.8211 5.5972 5.5983 6.7154 6.7303 6.9074 6.9406 7.0486 7.0502 7.0775 7.1072 9.0743 9.0802 10.8776 10.9039 12.4976 12.4988 k = 0.4750 0.4750-0.0000 ( 2420 PWs) bands (ev): -11.0600 -11.0534 -11.0154 -11.0148 -9.9177 -9.9168 -3.6022 -3.5970 0.9433 0.9448 2.2657 2.4323 2.8009 2.8186 3.3599 3.3762 3.4254 3.5437 3.6191 3.6343 3.8109 3.8147 3.8282 3.8316 5.5873 5.5889 6.7123 6.7346 6.9009 6.9487 7.0464 7.0466 7.0827 7.1226 9.0705 9.0793 10.8668 10.9063 12.4921 12.4934 k = 0.4667 0.4667-0.0000 ( 2420 PWs) bands (ev): -11.0676 -11.0586 -11.0154 -11.0149 -9.9172 -9.9160 -3.5927 -3.5858 0.9509 0.9528 2.2257 2.4447 2.7704 2.8051 3.3523 3.3739 3.4364 3.5579 3.6235 3.6563 3.8228 3.8248 3.8397 3.8506 5.5737 5.5759 6.7093 6.7390 6.8955 6.9559 7.0431 7.0448 7.0916 7.1398 9.0658 9.0776 10.8541 10.9068 12.4844 12.4852 k = 0.4583 0.4583-0.0000 ( 2410 PWs) bands (ev): -11.0784 -11.0672 -11.0138 -11.0133 -9.9166 -9.9151 -3.5802 -3.5717 0.9608 0.9631 2.1836 2.4520 2.7358 2.7913 3.3447 3.3711 3.4471 3.5564 3.6344 3.6845 3.8363 3.8368 3.8555 3.8834 5.5565 5.5594 6.7067 6.7438 6.8917 6.9618 7.0414 7.0431 7.1036 7.1587 9.0604 9.0750 10.8396 10.9055 12.4740 12.4747 k = 0.4500 0.4500-0.0000 ( 2414 PWs) bands (ev): -11.0923 -11.0792 -11.0108 -11.0100 -9.9159 -9.9141 -3.5650 -3.5550 0.9728 0.9754 2.1404 2.4534 2.7003 2.7777 3.3370 3.3680 3.4529 3.5467 3.6528 3.7085 3.8504 3.8507 3.8772 3.9318 5.5358 5.5396 6.7041 6.7486 6.8893 6.9663 7.0414 7.0415 7.1183 7.1789 9.0541 9.0715 10.8230 10.9021 12.4597 12.4628 k = 0.4417 0.4417-0.0000 ( 2416 PWs) bands (ev): -11.1092 -11.0944 -11.0063 -11.0052 -9.9151 -9.9130 -3.5470 -3.5356 0.9869 0.9898 2.0967 2.4477 2.6675 2.7646 3.3290 3.3648 3.4522 3.5327 3.6759 3.7260 3.8654 3.8662 3.9069 3.9927 5.5118 5.5166 6.7019 6.7537 6.8887 6.9693 7.0398 7.0437 7.1354 7.2006 9.0472 9.0672 10.8042 10.8964 12.4423 12.4492 k = 0.4333 0.4333-0.0000 ( 2413 PWs) bands (ev): -11.1287 -11.1123 -11.0006 -10.9990 -9.9142 -9.9119 -3.5264 -3.5137 1.0031 1.0061 2.0534 2.4339 2.6398 2.7519 3.3208 3.3618 3.4463 3.5161 3.6995 3.7385 3.8814 3.8828 3.9465 4.0620 5.4848 5.4907 6.6998 6.7589 6.8900 6.9711 7.0381 7.0482 7.1548 7.2234 9.0395 9.0622 10.7831 10.8884 12.4222 12.4341 k = 0.4250 0.4250-0.0000 ( 2413 PWs) bands (ev): -11.1507 -11.1328 -10.9938 -10.9918 -9.9133 -9.9107 -3.5034 -3.4895 1.0212 1.0242 2.0110 2.4119 2.6187 2.7396 3.3124 3.3591 3.4369 3.4977 3.7201 3.7478 3.8982 3.9003 3.9965 4.1363 5.4551 5.4622 6.6980 6.7642 6.8932 6.9719 7.0366 7.0548 7.1760 7.2473 9.0313 9.0565 10.7596 10.8777 12.3997 12.4180 k = 0.4167 0.4167-0.0000 ( 2405 PWs) bands (ev): -11.1748 -11.1556 -10.9860 -10.9836 -9.9123 -9.9096 -3.4779 -3.4630 1.0413 1.0439 1.9702 2.3834 2.6035 2.7274 3.3035 3.3571 3.4259 3.4779 3.7365 3.7550 3.9156 3.9185 4.0556 4.2135 5.4230 5.4315 6.6964 6.7696 6.8984 6.9719 7.0352 7.0638 7.1990 7.2723 9.0226 9.0502 10.7335 10.8643 12.3751 12.4014 k = 0.4083 0.4083-0.0000 ( 2399 PWs) bands (ev): -11.2010 -11.1806 -10.9773 -10.9744 -9.9114 -9.9084 -3.4502 -3.4344 1.0630 1.0650 1.9316 2.3509 2.5922 2.7152 3.2941 3.3557 3.4145 3.4573 3.7489 3.7607 3.9332 3.9371 4.1218 4.2921 5.3888 5.3987 6.6949 6.7749 6.9057 6.9714 7.0341 7.0749 7.2233 7.2980 9.0134 9.0433 10.7050 10.8480 12.3488 12.3847 k = 0.4000 0.4000-0.0000 ( 2403 PWs) bands (ev): -11.2291 -11.2075 -10.9676 -10.9643 -9.9105 -9.9073 -3.4205 -3.4040 1.0863 1.0872 1.8959 2.3168 2.5831 2.7027 3.2836 3.3546 3.4039 3.4365 3.7583 3.7653 3.9508 3.9558 4.1927 4.3711 5.3528 5.3644 6.6935 6.7801 6.9151 6.9704 7.0333 7.0883 7.2489 7.3244 9.0037 9.0358 10.6739 10.8289 12.3213 12.3684 k = 0.3917 0.3917-0.0000 ( 2403 PWs) bands (ev): -11.2588 -11.2361 -10.9572 -10.9534 -9.9096 -9.9063 -3.3889 -3.3718 1.1102 1.1110 1.8635 2.2829 2.5747 2.6898 3.2719 3.3535 3.3951 3.4164 3.7654 3.7690 3.9681 3.9744 4.2667 4.4496 5.3155 5.3290 6.6923 6.7852 6.9263 6.9692 7.0332 7.1040 7.2755 7.3515 8.9936 9.0279 10.6404 10.8068 12.2928 12.3529 k = 0.3833 0.3833-0.0000 ( 2403 PWs) bands (ev): -11.2901 -11.2665 -10.9458 -10.9417 -9.9089 -9.9054 -3.3555 -3.3380 1.1335 1.1369 1.8353 2.2505 2.5663 2.6763 3.2587 3.3503 3.3889 3.3994 3.7707 3.7720 3.9849 3.9924 4.3422 4.5269 5.2773 5.2928 6.6910 6.7898 6.9392 6.9678 7.0344 7.1218 7.3031 7.3791 8.9832 9.0195 10.6047 10.7819 12.2635 12.3388 k = 0.3750 0.3750-0.0000 ( 2403 PWs) bands (ev): -11.3228 -11.2983 -10.9338 -10.9293 -9.9082 -9.9046 -3.3205 -3.3028 1.1564 1.1636 1.8117 2.2205 2.5573 2.6620 3.2441 3.3413 3.3855 3.3894 3.7744 3.7747 4.0008 4.0097 4.4181 4.6024 5.2387 5.2563 6.6896 6.7941 6.9528 6.9665 7.0379 7.1418 7.3315 7.4072 8.9726 9.0107 10.5669 10.7544 12.2338 12.3261 k = 0.3667 0.3667-0.0000 ( 2403 PWs) bands (ev): -11.3567 -11.3314 -10.9209 -10.9161 -9.9077 -9.9039 -3.2841 -3.2663 1.1784 1.1908 1.7937 2.1936 2.5472 2.6469 3.2284 3.3254 3.3850 3.3878 3.7763 3.7776 4.0155 4.0259 4.4934 4.6757 5.2002 5.2202 6.6882 6.7980 6.9652 6.9658 7.0450 7.1638 7.3606 7.4355 8.9617 9.0016 10.5274 10.7246 12.2036 12.3152 k = 0.3583 0.3583-0.0000 ( 2403 PWs) bands (ev): -11.3917 -11.3658 -10.9074 -10.9022 -9.9073 -9.9034 -3.2465 -3.2287 1.1987 1.2182 1.7820 2.1703 2.5360 2.6308 3.2122 3.3058 3.3873 3.3918 3.7776 3.7797 4.0287 4.0407 4.5672 4.7461 5.1623 5.1848 6.6865 6.8014 6.9642 6.9763 7.0578 7.1878 7.3906 7.4641 8.9505 8.9922 10.4867 10.6928 12.1731 12.3063 k = 0.3500 0.3500-0.0000 ( 2395 PWs) bands (ev): -11.4277 -11.4011 -10.8932 -10.8877 -9.9071 -9.9030 -3.2078 -3.1902 1.2164 1.2452 1.7773 2.1512 2.5234 2.6136 3.1959 3.2851 3.3921 3.3989 3.7785 3.7810 4.0401 4.0536 4.6386 4.8132 5.1256 5.1510 6.6847 6.8043 6.9635 6.9837 7.0770 7.2136 7.4213 7.4929 8.9392 8.9824 10.4451 10.6594 12.1423 12.2993 k = 0.3417 0.3417-0.0000 ( 2397 PWs) bands (ev): -11.4645 -11.4374 -10.8783 -10.8725 -9.9070 -9.9028 -3.1682 -3.1510 1.2311 1.2715 1.7801 2.1365 2.5094 2.5952 3.1800 3.2644 3.3991 3.4081 3.7789 3.7817 4.0493 4.0644 4.7068 4.8766 5.0906 5.1192 6.6825 6.8066 6.9631 6.9882 7.1021 7.2410 7.4527 7.5218 8.9277 8.9723 10.4032 10.6250 12.1112 12.2942 k = 0.3333 0.3333-0.0000 ( 2407 PWs) bands (ev): -11.5019 -11.4745 -10.8628 -10.8568 -9.9071 -9.9028 -3.1279 -3.1111 1.2422 1.2965 1.7908 2.1267 2.4940 2.5756 3.1651 3.2443 3.4083 3.4190 3.7790 3.7818 4.0561 4.0726 4.7707 4.9356 5.0580 5.0905 6.6799 6.8082 6.9632 6.9911 7.1319 7.2695 7.4849 7.5507 8.9159 8.9619 10.3616 10.5901 12.0796 12.2911 k = 0.3250 0.3250-0.0000 ( 2407 PWs) bands (ev): -11.5399 -11.5121 -10.8468 -10.8405 -9.9073 -9.9029 -3.0869 -3.0708 1.2497 1.3197 1.8092 2.1220 2.4772 2.5549 3.1518 3.2253 3.4192 3.4315 3.7787 3.7815 4.0602 4.0779 4.8292 4.9887 5.0296 5.0662 6.6770 6.8092 6.9639 6.9933 7.1654 7.2991 7.5179 7.5797 8.9040 8.9512 10.3210 10.5552 12.0476 12.2898 k = 0.3167 0.3167-0.0000 ( 2413 PWs) bands (ev): -11.5783 -11.5503 -10.8302 -10.8236 -9.9077 -9.9032 -3.0455 -3.0301 1.2540 1.3407 1.8348 2.1225 2.4591 2.5330 3.1404 3.2078 3.4318 3.4453 3.7781 3.7807 4.0614 4.0802 4.8796 4.9976 5.0438 5.0486 6.6735 6.8093 6.9652 6.9955 7.2018 7.3292 7.5518 7.6088 8.8919 8.9402 10.2820 10.5210 12.0149 12.2902 k = 0.3083 0.3083-0.0000 ( 2415 PWs) bands (ev): -11.6169 -11.5888 -10.8131 -10.8063 -9.9083 -9.9037 -3.0038 -2.9892 1.2556 1.3591 1.8667 2.1280 2.4398 2.5099 3.1315 3.1921 3.4459 3.4603 3.7772 3.7796 4.0596 4.0792 4.9169 4.9755 5.0427 5.0875 6.6696 6.8087 6.9673 6.9979 7.2404 7.3596 7.5867 7.6379 8.8796 8.9289 10.2455 10.4880 11.9816 12.2923 k = 0.3000 0.3000-0.0000 ( 2415 PWs) bands (ev): -11.6558 -11.6276 -10.7956 -10.7886 -9.9091 -9.9044 -2.9618 -2.9482 1.2551 1.3747 1.9038 2.1381 2.4195 2.4858 3.1256 3.1785 3.4612 3.4763 3.7760 3.7781 4.0546 4.0748 4.9348 4.9560 5.0545 5.1271 6.6651 6.8071 6.9702 7.0010 7.2806 7.3899 7.6224 7.6672 8.8671 8.9173 10.2120 10.4567 11.9476 12.2958 k = 0.2917 0.2917-0.0000 ( 2419 PWs) bands (ev): -11.6947 -11.6666 -10.7776 -10.7705 -9.9100 -9.9052 -2.9199 -2.9073 1.2532 1.3874 1.9449 2.1519 2.3987 2.4607 3.1233 3.1674 3.4776 3.4933 3.7746 3.7764 4.0467 4.0672 4.9371 4.9401 5.0803 5.1613 6.6601 6.8044 6.9741 7.0050 7.3216 7.4197 7.6589 7.6967 8.8544 8.9054 10.1823 10.4275 11.9127 12.3007 k = 0.2833 0.2833-0.0000 ( 2425 PWs) bands (ev): -11.7336 -11.7055 -10.7593 -10.7520 -9.9112 -9.9062 -2.8780 -2.8665 1.2505 1.3974 1.9888 2.1680 2.3780 2.4351 3.1251 3.1592 3.4950 3.5111 3.7728 3.7744 4.0361 4.0566 4.9279 4.9332 5.1101 5.1900 6.6545 6.8005 6.9790 7.0100 7.3629 7.4487 7.6962 7.7266 8.8415 8.8932 10.1570 10.4008 11.8770 12.3069 k = 0.2750 0.2750-0.0000 ( 2425 PWs) bands (ev): -11.7723 -11.7444 -10.7407 -10.7333 -9.9124 -9.9074 -2.8362 -2.8258 1.2474 1.4049 2.0340 2.1842 2.3592 2.4096 3.1316 3.1543 3.5133 3.5297 3.7709 3.7722 4.0230 4.0432 4.9192 4.9287 5.1381 5.2130 6.6483 6.7955 6.9851 7.0162 7.4038 7.4768 7.7340 7.7569 8.8283 8.8806 10.1367 10.3768 11.8405 12.3143 k = 0.2667 0.2667-0.0000 ( 2423 PWs) bands (ev): -11.8108 -11.7831 -10.7218 -10.7143 -9.9138 -9.9088 -2.7947 -2.7855 1.2443 1.4101 2.0785 2.1966 2.3450 2.3852 3.1434 3.1532 3.5322 3.5489 3.7688 3.7697 4.0079 4.0276 4.9137 4.9253 5.1621 5.2302 6.6415 6.7891 6.9926 7.0239 7.4437 7.5040 7.7721 7.7879 8.8148 8.8677 10.1217 10.3556 11.8033 12.3229 k = 0.2583 0.2583-0.0000 ( 2423 PWs) bands (ev): -11.8489 -11.8215 -10.7026 -10.6950 -9.9154 -9.9103 -2.7536 -2.7456 1.2413 1.4133 2.1192 2.1998 2.3402 2.3643 3.1564 3.1610 3.5516 3.5687 3.7665 3.7671 3.9911 4.0103 4.9109 4.9235 5.1810 5.2414 6.6342 6.7814 7.0014 7.0332 7.4819 7.5301 7.8103 7.8196 8.8011 8.8543 10.1124 10.3373 11.7657 12.3326 k = 0.2500 0.2500-0.0000 ( 2423 PWs) bands (ev): -11.8865 -11.8596 -10.6833 -10.6757 -9.9171 -9.9119 -2.7128 -2.7061 1.2387 1.4150 2.1504 2.1904 2.3472 2.3515 3.1644 3.1847 3.5714 3.5888 3.7640 3.7644 3.9733 3.9917 4.9104 4.9233 5.1944 5.2467 6.6264 6.7723 7.0119 7.0441 7.5180 7.5553 7.8481 7.8520 8.7870 8.8406 10.1088 10.3215 11.7279 12.3435 k = 0.2417 0.2417-0.0000 ( 2419 PWs) bands (ev): -11.9237 -11.8972 -10.6639 -10.6562 -9.9189 -9.9137 -2.6726 -2.6671 1.2367 1.4154 2.1647 2.1705 2.3539 2.3633 3.1776 3.2149 3.5915 3.6093 3.7613 3.7615 3.9548 3.9723 4.9118 4.9246 5.2022 5.2462 6.6182 6.7620 7.0239 7.0568 7.5518 7.5796 7.8851 7.8855 8.7725 8.8264 10.1107 10.3080 11.6903 12.3558 k = 0.2333 0.2333-0.0000 ( 2419 PWs) bands (ev): -11.9602 -11.9342 -10.6444 -10.6367 -9.9209 -9.9156 -2.6331 -2.6287 1.2351 1.4148 2.1441 2.1589 2.3738 2.3841 3.1967 3.2517 3.6117 3.6300 3.7586 3.7586 3.9361 3.9528 4.9146 4.9271 5.2041 5.2397 6.6096 6.7503 7.0377 7.0712 7.5832 7.6031 7.9187 7.9222 8.7575 8.8117 10.1178 10.2963 11.6534 12.3694 k = 0.2250 0.2250-0.0000 ( 2423 PWs) bands (ev): -11.9961 -11.9706 -10.6249 -10.6171 -9.9229 -9.9177 -2.5942 -2.5910 1.2342 1.4134 2.1137 2.1386 2.4053 2.4069 3.2218 3.2948 3.6319 3.6508 3.7557 3.7558 3.9175 3.9334 4.9185 4.9304 5.2001 5.2274 6.6006 6.7374 7.0534 7.0876 7.6123 7.6260 7.9526 7.9579 8.7421 8.7965 10.1293 10.2858 11.6181 12.3846 k = 0.2167 0.2167-0.0000 ( 2433 PWs) bands (ev): -12.0312 -12.0063 -10.6054 -10.5977 -9.9251 -9.9198 -2.5560 -2.5540 1.2338 1.4114 2.0808 2.1103 2.4301 2.4412 3.2532 3.3440 3.6518 3.6715 3.7528 3.7530 3.8994 3.9146 4.9230 4.9344 5.1902 5.2096 6.5914 6.7235 7.0709 7.1059 7.6392 7.6482 7.9864 7.9925 8.7261 8.7806 10.1442 10.2760 11.5851 12.4015 k = 0.2083 0.2083-0.0000 ( 2429 PWs) bands (ev): -12.0655 -12.0412 -10.5860 -10.5783 -9.9273 -9.9220 -2.5186 -2.5177 1.2341 1.4089 2.0462 2.0777 2.4532 2.4779 3.2908 3.3987 3.6714 3.6920 3.7503 3.7505 3.8823 3.8968 4.9279 4.9388 5.1746 5.1864 6.5822 6.7088 7.0904 7.1262 7.6644 7.6702 8.0199 8.0259 8.7096 8.7643 10.1611 10.2661 11.5556 12.4202 k = 0.2000 0.2000-0.0000 ( 2429 PWs) bands (ev): -12.0989 -12.0753 -10.5667 -10.5592 -9.9296 -9.9244 -2.4822 -2.4821 1.2349 1.4062 2.0106 2.0426 2.4759 2.5136 3.3342 3.4580 3.6900 3.7115 3.7485 3.7489 3.8664 3.8804 4.9330 4.9434 5.1534 5.1582 6.5728 6.6933 7.1118 7.1484 7.6882 7.6918 8.0528 8.0581 8.6925 8.7473 10.1786 10.2554 11.5308 12.4408 k = 0.1917 0.1917-0.0000 ( 2425 PWs) bands (ev): -12.1314 -12.1084 -10.5477 -10.5402 -9.9319 -9.9267 -2.4475 -2.4465 1.2362 1.4032 1.9742 2.0063 2.4983 2.5474 3.3825 3.5208 3.7066 3.7268 3.7487 3.7511 3.8525 3.8661 4.9379 4.9480 5.1254 5.1269 6.5635 6.6773 7.1352 7.1726 7.7109 7.7132 8.0848 8.0890 8.6747 8.7296 10.1947 10.2433 11.5121 12.4633 k = 0.1833 0.1833-0.0000 ( 2425 PWs) bands (ev): -12.1628 -12.1406 -10.5289 -10.5215 -9.9343 -9.9292 -2.4137 -2.4118 1.2380 1.4000 1.9375 1.9692 2.5205 2.5794 3.4347 3.5854 3.7182 3.7320 3.7535 3.7623 3.8415 3.8551 4.9423 4.9524 5.0885 5.0953 6.5541 6.6608 7.1605 7.1987 7.7328 7.7345 8.1157 8.1186 8.6563 8.7113 10.2078 10.2293 11.5008 12.4876 k = 0.1750 0.1750-0.0000 ( 2427 PWs) bands (ev): -12.1931 -12.1718 -10.5104 -10.5032 -9.9367 -9.9316 -2.3810 -2.3782 1.2402 1.3968 1.9008 1.9318 2.5428 2.6096 3.4892 3.6482 3.7228 3.7311 3.7648 3.7763 3.8367 3.8504 4.9456 4.9565 5.0487 5.0591 6.5446 6.6440 7.1877 7.2266 7.7541 7.7557 8.1454 8.1468 8.6371 8.6922 10.2128 10.2159 11.4984 12.5134 k = 0.1667 0.1667-0.0000 ( 2423 PWs) bands (ev): -12.2224 -12.2018 -10.4923 -10.4853 -9.9390 -9.9341 -2.3492 -2.3457 1.2427 1.3934 1.8643 1.8946 2.5652 2.6385 3.5439 3.7017 3.7238 3.7287 3.7773 3.7844 3.8466 3.8573 4.9459 4.9599 5.0084 5.0189 6.5352 6.6271 7.2168 7.2563 7.7751 7.7769 8.1737 8.1738 8.6172 8.6724 10.1936 10.2177 11.5058 12.5404 k = 0.1583 0.1583-0.0000 ( 2423 PWs) bands (ev): -12.2505 -12.2307 -10.4746 -10.4678 -9.9414 -9.9366 -2.3184 -2.3143 1.2456 1.3900 1.8283 1.8578 2.5881 2.6663 3.5962 3.7190 3.7258 3.7396 3.7845 3.7865 3.8781 3.8832 4.9326 4.9592 4.9787 4.9788 6.5257 6.6100 7.2476 7.2877 7.7959 7.7980 8.1993 8.2008 8.5965 8.6518 10.1715 10.2122 11.5235 12.5682 k = 0.1500 0.1500-0.0000 ( 2423 PWs) bands (ev): -12.2773 -12.2585 -10.4575 -10.4508 -9.9438 -9.9391 -2.2888 -2.2842 1.2487 1.3865 1.7931 1.8218 2.6116 2.6936 3.6431 3.7173 3.7229 3.7508 3.7809 3.7986 3.9101 3.9420 4.8950 4.9237 4.9701 4.9712 6.5161 6.5928 7.2801 7.3207 7.8166 7.8190 8.2236 8.2264 8.5749 8.6303 10.1466 10.1991 11.5514 12.5962 k = 0.1417 0.1417-0.0000 ( 2425 PWs) bands (ev): -12.3029 -12.2850 -10.4408 -10.4344 -9.9461 -9.9416 -2.2603 -2.2553 1.2519 1.3828 1.7591 1.7867 2.6357 2.7205 3.6810 3.7147 3.7206 3.7501 3.7778 3.8138 3.9507 4.0109 4.8484 4.8748 4.9716 4.9720 6.5064 6.5757 7.3141 7.3552 7.8372 7.8398 8.2466 8.2504 8.5525 8.6080 10.1188 10.1788 11.5889 12.6238 k = 0.1333 0.1333-0.0000 ( 2425 PWs) bands (ev): -12.3272 -12.3102 -10.4248 -10.4186 -9.9484 -9.9440 -2.2331 -2.2277 1.2551 1.3790 1.7264 1.7530 2.6606 2.7474 3.7046 3.7120 3.7213 3.7457 3.7787 3.8289 3.9978 4.0827 4.8006 4.8240 4.9734 4.9743 6.4964 6.5584 7.3496 7.3910 7.8577 7.8604 8.2682 8.2730 8.5292 8.5848 10.0885 10.1519 11.6349 12.6503 k = 0.1250 0.1250-0.0000 ( 2425 PWs) bands (ev): -12.3502 -12.3342 -10.4094 -10.4035 -9.9506 -9.9464 -2.2071 -2.2015 1.2584 1.3748 1.6954 1.7208 2.6864 2.7744 3.7089 3.7092 3.7278 3.7405 3.7866 3.8432 4.0485 4.1537 4.7544 4.7733 4.9755 4.9764 6.4862 6.5412 7.3864 7.4282 7.8780 7.8807 8.2886 8.2939 8.5051 8.5607 10.0560 10.1196 11.6882 12.6753 k = 0.1167 0.1167-0.0000 ( 2425 PWs) bands (ev): -12.3718 -12.3567 -10.3947 -10.3891 -9.9527 -9.9487 -2.1825 -2.1767 1.2615 1.3702 1.6664 1.6903 2.7130 2.8018 3.7066 3.7071 3.7303 3.7353 3.7997 3.8564 4.0987 4.2204 4.7126 4.7252 4.9775 4.9782 6.4757 6.5240 7.4244 7.4664 7.8981 7.9005 8.3076 8.3132 8.4803 8.5357 10.0218 10.0831 11.7473 12.6983 k = 0.1083 0.1083-0.0000 ( 2421 PWs) bands (ev): -12.3920 -12.3779 -10.3807 -10.3754 -9.9547 -9.9509 -2.1592 -2.1534 1.2643 1.3652 1.6396 1.6619 2.7404 2.8294 3.7041 3.7046 3.7291 3.7307 3.8136 3.8685 4.1435 4.2781 4.6789 4.6841 4.9793 4.9797 6.4650 6.5068 7.4634 7.5056 7.9179 7.9196 8.3253 8.3305 8.4549 8.5098 9.9864 10.0437 11.8109 12.7189 k = 0.1000 0.1000-0.0000 ( 2423 PWs) bands (ev): -12.4108 -12.3977 -10.3676 -10.3626 -9.9566 -9.9531 -2.1374 -2.1316 1.2667 1.3594 1.6153 1.6357 2.7687 2.8574 3.7017 3.7021 3.7265 3.7266 3.8261 3.8795 4.1775 4.3190 4.6574 4.6577 4.9810 4.9810 6.4539 6.4896 7.5033 7.5456 7.9372 7.9380 8.3415 8.3451 8.4296 8.4831 9.9503 10.0025 11.8777 12.7367 k = 0.0917 0.0917-0.0000 ( 2423 PWs) bands (ev): -12.4281 -12.4161 -10.3553 -10.3507 -9.9584 -9.9551 -2.1170 -2.1114 1.2687 1.3530 1.5937 1.6119 2.7977 2.8855 3.6996 3.6996 3.7229 3.7238 3.8366 3.8894 4.1955 4.3336 4.6534 4.6545 4.9821 4.9825 6.4424 6.4724 7.5439 7.5862 7.9555 7.9560 8.3544 8.3560 8.4072 8.4558 9.9142 9.9606 11.9466 12.7514 k = 0.0833 0.0833-0.0000 ( 2423 PWs) bands (ev): -12.4440 -12.4330 -10.3439 -10.3396 -9.9601 -9.9570 -2.0982 -2.0928 1.2702 1.3458 1.5749 1.5906 2.8273 2.9137 3.6975 3.6978 3.7199 3.7212 3.8448 3.8981 4.1960 4.3198 4.6672 4.6774 4.9831 4.9839 6.4307 6.4555 7.5852 7.6274 7.9719 7.9740 8.3489 8.3681 8.3970 8.4287 9.8786 9.9191 12.0165 12.7626 k = 0.0750 0.0750-0.0000 ( 2423 PWs) bands (ev): -12.4583 -12.4484 -10.3334 -10.3295 -9.9616 -9.9588 -2.0810 -2.0759 1.2711 1.3379 1.5588 1.5720 2.8573 2.9416 3.6956 3.6962 3.7173 3.7189 3.8509 3.9055 4.1819 4.2866 4.6959 4.7170 4.9839 4.9852 6.4189 6.4388 7.6270 7.6688 7.9870 7.9911 8.3264 8.3732 8.4013 8.4065 9.8441 9.8789 12.0866 12.7701 k = 0.0667 0.0667-0.0000 ( 2423 PWs) bands (ev): -12.4712 -12.4623 -10.3239 -10.3204 -9.9630 -9.9605 -2.0654 -2.0607 1.2715 1.3295 1.5455 1.5560 2.8875 2.9687 3.6941 3.6950 3.7153 3.7168 3.8546 3.9114 4.1588 4.2440 4.7340 4.7634 4.9847 4.9866 6.4070 6.4225 7.6690 7.7104 8.0006 8.0073 8.2974 8.3568 8.4034 8.4095 9.8115 9.8406 12.1561 12.7734 k = 0.0583 0.0583-0.0000 ( 2417 PWs) bands (ev): -12.4824 -12.4747 -10.3154 -10.3123 -9.9642 -9.9620 -2.0515 -2.0472 1.2714 1.3208 1.5346 1.5426 2.9176 2.9947 3.6932 3.6942 3.7136 3.7151 3.8559 3.9157 4.1318 4.1983 4.7763 4.8103 4.9857 4.9881 6.3954 6.4071 7.7113 7.7519 8.0124 8.0223 8.2660 8.3283 8.4106 8.4179 9.7812 9.8052 12.2243 12.7723 k = 0.0500 0.0500-0.0000 ( 2413 PWs) bands (ev): -12.4922 -12.4855 -10.3079 -10.3052 -9.9653 -9.9633 -2.0393 -2.0355 1.2710 1.3121 1.5259 1.5317 2.9471 3.0187 3.6930 3.6939 3.7123 3.7137 3.8550 3.9177 4.1049 4.1534 4.8186 4.8541 4.9869 4.9898 6.3842 6.3926 7.7535 7.7931 8.0223 8.0360 8.2332 8.2972 8.4184 8.4254 9.7538 9.7731 12.2905 12.7664 k = 0.0417 0.0417-0.0000 ( 2413 PWs) bands (ev): -12.5004 -12.4948 -10.3015 -10.2993 -9.9661 -9.9645 -2.0289 -2.0256 1.2705 1.3037 1.5192 1.5231 2.9755 3.0399 3.6932 3.6939 3.7113 3.7125 3.8523 3.9167 4.0806 4.1122 4.8582 4.8922 4.9889 4.9921 6.3737 6.3795 7.7957 7.8337 8.0298 8.0483 8.1994 8.2651 8.4255 8.4317 9.7298 9.7450 12.3542 12.7554 k = 0.0333 0.0333-0.0000 ( 2411 PWs) bands (ev): -12.5070 -12.5025 -10.2962 -10.2944 -9.9668 -9.9655 -2.0202 -2.0176 1.2701 1.2960 1.5141 1.5166 3.0021 3.0574 3.6941 3.6944 3.7106 3.7116 3.8486 3.9116 4.0605 4.0775 4.8926 4.9225 4.9923 4.9951 6.3644 6.3681 7.8376 7.8732 8.0345 8.0587 8.1656 8.2329 8.4316 8.4367 9.7097 9.7212 12.4149 12.7389 k = 0.0250 0.0250-0.0000 ( 2411 PWs) bands (ev): -12.5120 -12.5087 -10.2920 -10.2906 -9.9673 -9.9663 -2.0134 -2.0114 1.2701 1.2890 1.5104 1.5118 3.0262 3.0703 3.6952 3.6954 3.7101 3.7109 3.8456 3.9017 4.0450 4.0516 4.9200 4.9431 4.9981 4.9994 6.3565 6.3587 7.8790 7.9112 8.0357 8.0654 8.1338 8.2013 8.4365 8.4405 9.6938 9.7021 12.4720 12.7169 k = 0.0167 0.0167-0.0000 ( 2407 PWs) bands (ev): -12.5154 -12.5132 -10.2889 -10.2880 -9.9676 -9.9670 -2.0084 -2.0070 1.2707 1.2831 1.5079 1.5086 3.0468 3.0776 3.6962 3.6967 3.7098 3.7103 3.8453 3.8876 4.0341 4.0352 4.9392 4.9539 5.0049 5.0054 6.3506 6.3517 7.9198 7.9465 8.0324 8.0606 8.1128 8.1717 8.4403 8.4430 9.6826 9.6879 12.5251 12.6893 k = 0.0083 0.0083-0.0000 ( 2411 PWs) bands (ev): -12.5173 -12.5162 -10.2869 -10.2865 -9.9678 -9.9674 -2.0053 -2.0046 1.2722 1.2783 1.5064 1.5067 3.0630 3.0789 3.6971 3.6975 3.7096 3.7099 3.8493 3.8721 4.0269 4.0274 4.9508 4.9576 5.0101 5.0111 6.3469 6.3474 7.9594 7.9775 8.0229 8.0356 8.1130 8.1458 8.4428 8.4442 9.6762 9.6788 12.5737 12.6561 k = 0.0000 0.0000 0.0000 ( 2411 PWs) bands (ev): -12.5175 -12.5175 -10.2861 -10.2861 -9.9677 -9.9677 -2.0040 -2.0040 1.2747 1.2747 1.5060 1.5060 3.0739 3.0739 3.6977 3.6977 3.7097 3.7097 3.8585 3.8585 4.0248 4.0248 4.9565 4.9565 5.0128 5.0128 6.3458 6.3458 7.9931 7.9931 8.0101 8.0101 8.1257 8.1257 8.4441 8.4441 9.6749 9.6749 12.6175 12.6175 k = 0.0000 0.0000 0.0000 ( 2411 PWs) bands (ev): -12.5175 -12.5175 -10.2861 -10.2861 -9.9677 -9.9677 -2.0040 -2.0040 1.2747 1.2747 1.5060 1.5060 3.0739 3.0739 3.6977 3.6977 3.7097 3.7097 3.8585 3.8585 4.0248 4.0248 4.9565 4.9565 5.0128 5.0128 6.3458 6.3458 7.9931 7.9931 8.0101 8.0101 8.1257 8.1257 8.4441 8.4441 9.6749 9.6749 12.6175 12.6175 k = 0.0000 0.0000 0.0116 ( 2411 PWs) bands (ev): -12.5173 -12.5173 -10.2861 -10.2861 -9.9680 -9.9680 -2.0046 -2.0046 1.2747 1.2747 1.5059 1.5059 3.0759 3.0759 3.6968 3.6968 3.7095 3.7095 3.8592 3.8592 4.0254 4.0254 4.9561 4.9561 5.0126 5.0126 6.3458 6.3458 7.9931 7.9931 8.0094 8.0094 8.1252 8.1252 8.4447 8.4447 9.6725 9.6725 12.6159 12.6159 k = 0.0000 0.0000 0.0232 ( 2415 PWs) bands (ev): -12.5166 -12.5166 -10.2861 -10.2861 -9.9688 -9.9688 -2.0064 -2.0064 1.2745 1.2745 1.5057 1.5057 3.0817 3.0817 3.6941 3.6941 3.7091 3.7091 3.8613 3.8613 4.0271 4.0271 4.9551 4.9551 5.0120 5.0120 6.3458 6.3458 7.9930 7.9930 8.0074 8.0074 8.1238 8.1238 8.4463 8.4463 9.6651 9.6651 12.6109 12.6109 k = 0.0000 0.0000 0.0348 ( 2427 PWs) bands (ev): -12.5156 -12.5156 -10.2861 -10.2861 -9.9701 -9.9701 -2.0094 -2.0094 1.2742 1.2742 1.5052 1.5052 3.0913 3.0913 3.6899 3.6899 3.7084 3.7084 3.8647 3.8647 4.0300 4.0300 4.9535 4.9535 5.0110 5.0110 6.3458 6.3458 7.9928 7.9928 8.0040 8.0040 8.1214 8.1214 8.4490 8.4490 9.6530 9.6530 12.6029 12.6029 k = 0.0000 0.0000 0.0465 ( 2427 PWs) bands (ev): -12.5141 -12.5141 -10.2861 -10.2861 -9.9720 -9.9720 -2.0135 -2.0135 1.2739 1.2739 1.5046 1.5046 3.1045 3.1045 3.6841 3.6841 3.7075 3.7075 3.8696 3.8696 4.0341 4.0341 4.9512 4.9512 5.0096 5.0096 6.3458 6.3458 7.9927 7.9927 7.9995 7.9995 8.1182 8.1182 8.4527 8.4527 9.6363 9.6363 12.5922 12.5922 k = 0.0000 0.0000 0.0581 ( 2431 PWs) bands (ev): -12.5122 -12.5122 -10.2861 -10.2861 -9.9744 -9.9744 -2.0187 -2.0187 1.2734 1.2734 1.5038 1.5038 3.1212 3.1212 3.6771 3.6771 3.7063 3.7063 3.8757 3.8757 4.0392 4.0392 4.9482 4.9482 5.0078 5.0078 6.3457 6.3457 7.9925 7.9925 7.9937 7.9937 8.1143 8.1143 8.4570 8.4570 9.6153 9.6153 12.5791 12.5791 k = 0.0000 0.0000 0.0697 ( 2431 PWs) bands (ev): -12.5098 -12.5098 -10.2860 -10.2860 -9.9772 -9.9772 -2.0249 -2.0249 1.2728 1.2728 1.5028 1.5028 3.1411 3.1411 3.6691 3.6691 3.7048 3.7048 3.8831 3.8831 4.0455 4.0455 4.9445 4.9445 5.0056 5.0056 6.3457 6.3457 7.9868 7.9868 7.9921 7.9921 8.1095 8.1095 8.4618 8.4618 9.5904 9.5904 12.5640 12.5640 k = 0.0000 0.0000 0.0813 ( 2427 PWs) bands (ev): -12.5071 -12.5071 -10.2860 -10.2860 -9.9806 -9.9806 -2.0321 -2.0321 1.2722 1.2722 1.5017 1.5017 3.1637 3.1637 3.6604 3.6604 3.7032 3.7032 3.8919 3.8919 4.0529 4.0529 4.9402 4.9402 5.0030 5.0030 6.3457 6.3457 7.9788 7.9788 7.9917 7.9917 8.1042 8.1042 8.4669 8.4669 9.5619 9.5619 12.5475 12.5475 k = 0.0000 0.0000 0.0929 ( 2427 PWs) bands (ev): -12.5041 -12.5041 -10.2860 -10.2860 -9.9843 -9.9843 -2.0401 -2.0401 1.2714 1.2714 1.5004 1.5004 3.1885 3.1885 3.6517 3.6517 3.7012 3.7012 3.9018 3.9018 4.0614 4.0614 4.9351 4.9351 5.0000 5.0000 6.3457 6.3457 7.9697 7.9697 7.9911 7.9911 8.0982 8.0982 8.4718 8.4718 9.5304 9.5304 12.5300 12.5300 k = 0.0000 0.0000 0.1045 ( 2431 PWs) bands (ev): -12.5007 -12.5007 -10.2859 -10.2859 -9.9886 -9.9886 -2.0489 -2.0489 1.2706 1.2706 1.4990 1.4990 3.2147 3.2147 3.6434 3.6434 3.6991 3.6991 3.9130 3.9130 4.0708 4.0708 4.9293 4.9293 4.9965 4.9965 6.3457 6.3457 7.9596 7.9596 7.9902 7.9902 8.0918 8.0918 8.4761 8.4761 9.4964 9.4964 12.5117 12.5117 k = 0.0000 0.0000 0.1161 ( 2431 PWs) bands (ev): -12.4970 -12.4970 -10.2859 -10.2859 -9.9932 -9.9932 -2.0584 -2.0584 1.2697 1.2697 1.4975 1.4975 3.2415 3.2415 3.6368 3.6368 3.6968 3.6968 3.9253 3.9253 4.0813 4.0813 4.9229 4.9229 4.9925 4.9925 6.3457 6.3457 7.9486 7.9486 7.9889 7.9889 8.0851 8.0851 8.4795 8.4795 9.4606 9.4606 12.4931 12.4931 k = 0.0000 0.0000 0.1277 ( 2423 PWs) bands (ev): -12.4930 -12.4930 -10.2858 -10.2858 -9.9981 -9.9981 -2.0684 -2.0684 1.2687 1.2687 1.4959 1.4959 3.2675 3.2675 3.6329 3.6329 3.6944 3.6944 3.9388 3.9388 4.0926 4.0926 4.9157 4.9157 4.9882 4.9882 6.3457 6.3457 7.9367 7.9367 7.9873 7.9873 8.0783 8.0783 8.4814 8.4814 9.4239 9.4239 12.4744 12.4744 k = 0.0000 0.0000 0.1394 ( 2435 PWs) bands (ev): -12.4888 -12.4888 -10.2857 -10.2857 -10.0033 -10.0033 -2.0789 -2.0789 1.2677 1.2677 1.4942 1.4942 3.2909 3.2909 3.6333 3.6333 3.6918 3.6918 3.9533 3.9533 4.1048 4.1048 4.9077 4.9077 4.9833 4.9833 6.3456 6.3456 7.9241 7.9241 7.9850 7.9850 8.0714 8.0714 8.4810 8.4810 9.3869 9.3869 12.4559 12.4559 k = 0.0000 0.0000 0.1510 ( 2435 PWs) bands (ev): -12.4843 -12.4843 -10.2857 -10.2857 -10.0089 -10.0089 -2.0898 -2.0898 1.2666 1.2666 1.4924 1.4924 3.3100 3.3100 3.6399 3.6399 3.6891 3.6891 3.9690 3.9690 4.1179 4.1179 4.8990 4.8990 4.9780 4.9780 6.3456 6.3456 7.9107 7.9107 7.9820 7.9820 8.0649 8.0649 8.4780 8.4780 9.3506 9.3506 12.4377 12.4377 k = 0.0000 0.0000 0.1626 ( 2435 PWs) bands (ev): -12.4797 -12.4797 -10.2856 -10.2856 -10.0146 -10.0146 -2.1009 -2.1009 1.2654 1.2654 1.4906 1.4906 3.3230 3.3230 3.6542 3.6542 3.6863 3.6863 3.9857 3.9857 4.1316 4.1316 4.8896 4.8896 4.9723 4.9723 6.3456 6.3456 7.8968 7.8968 7.9782 7.9782 8.0589 8.0589 8.4716 8.4716 9.3159 9.3159 12.4200 12.4200 k = 0.0000 0.0000 0.1742 ( 2435 PWs) bands (ev): -12.4749 -12.4749 -10.2856 -10.2856 -10.0205 -10.0205 -2.1122 -2.1122 1.2642 1.2642 1.4887 1.4887 3.3293 3.3293 3.6766 3.6766 3.6834 3.6834 4.0033 4.0033 4.1461 4.1461 4.8795 4.8795 4.9661 4.9661 6.3456 6.3456 7.8823 7.8823 7.9735 7.9735 8.0535 8.0535 8.4612 8.4612 9.2837 9.2837 12.4029 12.4029 k = 0.0000 0.0000 0.1858 ( 2435 PWs) bands (ev): -12.4700 -12.4700 -10.2855 -10.2855 -10.0266 -10.0266 -2.1235 -2.1235 1.2630 1.2630 1.4868 1.4868 3.3293 3.3293 3.6805 3.6805 3.7068 3.7068 4.0219 4.0219 4.1611 4.1611 4.8686 4.8686 4.9594 4.9594 6.3455 6.3455 7.8673 7.8673 7.9677 7.9677 8.0489 8.0489 8.4465 8.4465 9.2547 9.2547 12.3865 12.3865 k = 0.0000 0.0000 0.1974 ( 2435 PWs) bands (ev): -12.4650 -12.4650 -10.2854 -10.2854 -10.0328 -10.0328 -2.1347 -2.1347 1.2618 1.2618 1.4849 1.4849 3.3240 3.3240 3.6775 3.6775 3.7433 3.7433 4.0414 4.0414 4.1767 4.1767 4.8570 4.8570 4.9524 4.9524 6.3455 6.3455 7.8520 7.8520 7.9611 7.9611 8.0452 8.0452 8.4271 8.4271 9.2296 9.2296 12.3709 12.3709 k = 0.0000 0.0000 0.2090 ( 2436 PWs) bands (ev): -12.4600 -12.4600 -10.2854 -10.2854 -10.0389 -10.0389 -2.1459 -2.1459 1.2606 1.2606 1.4830 1.4830 3.3148 3.3148 3.6746 3.6746 3.7844 3.7844 4.0618 4.0618 4.1927 4.1927 4.8447 4.8447 4.9449 4.9449 6.3454 6.3454 7.8362 7.8362 7.9537 7.9537 8.0423 8.0423 8.4032 8.4032 9.2086 9.2086 12.3561 12.3561 k = 0.0000 0.0000 0.2206 ( 2436 PWs) bands (ev): -12.4550 -12.4550 -10.2853 -10.2853 -10.0451 -10.0451 -2.1567 -2.1567 1.2594 1.2594 1.4811 1.4811 3.3031 3.3031 3.6716 3.6716 3.8288 3.8288 4.0830 4.0830 4.2090 4.2090 4.8318 4.8318 4.9370 4.9370 6.3454 6.3454 7.8202 7.8202 7.9457 7.9457 8.0400 8.0400 8.3749 8.3749 9.1918 9.1918 12.3421 12.3421 k = 0.0000 0.0000 0.2323 ( 2436 PWs) bands (ev): -12.4501 -12.4501 -10.2852 -10.2852 -10.0512 -10.0512 -2.1673 -2.1673 1.2582 1.2582 1.4792 1.4792 3.2896 3.2896 3.6688 3.6688 3.8752 3.8752 4.1049 4.1049 4.2255 4.2255 4.8182 4.8182 4.9287 4.9287 6.3454 6.3454 7.8040 7.8040 7.9372 7.9372 8.0383 8.0383 8.3431 8.3431 9.1791 9.1791 12.3290 12.3290 k = 0.0000 0.0000 0.2439 ( 2428 PWs) bands (ev): -12.4453 -12.4453 -10.2852 -10.2852 -10.0571 -10.0571 -2.1774 -2.1774 1.2570 1.2570 1.4774 1.4774 3.2753 3.2753 3.6660 3.6660 3.9223 3.9223 4.1276 4.1276 4.2421 4.2421 4.8041 4.8041 4.9202 4.9202 6.3454 6.3454 7.7875 7.7875 7.9287 7.9287 8.0371 8.0371 8.3084 8.3084 9.1701 9.1701 12.3168 12.3168 k = 0.0000 0.0000 0.2555 ( 2416 PWs) bands (ev): -12.4406 -12.4406 -10.2851 -10.2851 -10.0629 -10.0629 -2.1870 -2.1870 1.2559 1.2559 1.4757 1.4757 3.2608 3.2608 3.6633 3.6633 3.9693 3.9693 4.1510 4.1510 4.2586 4.2586 4.7895 4.7895 4.9115 4.9115 6.3454 6.3454 7.7709 7.7709 7.9201 7.9201 8.0363 8.0363 8.2721 8.2721 9.1642 9.1642 12.3055 12.3055 k = 0.0000 0.0000 0.2671 ( 2416 PWs) bands (ev): -12.4361 -12.4361 -10.2850 -10.2850 -10.0684 -10.0684 -2.1962 -2.1962 1.2548 1.2548 1.4740 1.4740 3.2462 3.2462 3.6607 3.6607 4.0151 4.0151 4.1750 4.1750 4.2750 4.2750 4.7745 4.7745 4.9026 4.9026 6.3454 6.3454 7.7541 7.7541 7.9116 7.9116 8.0357 8.0357 8.2348 8.2348 9.1609 9.1609 12.2951 12.2951 k = 0.0000 0.0000 0.2787 ( 2420 PWs) bands (ev): -12.4319 -12.4319 -10.2850 -10.2850 -10.0737 -10.0737 -2.2048 -2.2048 1.2538 1.2538 1.4725 1.4725 3.2320 3.2320 3.6583 3.6583 4.0591 4.0591 4.1996 4.1996 4.2910 4.2910 4.7593 4.7593 4.8936 4.8936 6.3454 6.3454 7.7372 7.7372 7.9035 7.9035 8.0353 8.0353 8.1979 8.1979 9.1596 9.1596 12.2857 12.2857 k = 0.0000 0.0000 0.2903 ( 2412 PWs) bands (ev): -12.4279 -12.4279 -10.2849 -10.2849 -10.0786 -10.0786 -2.2126 -2.2126 1.2528 1.2528 1.4711 1.4711 3.2186 3.2186 3.6560 3.6560 4.1004 4.1004 4.2246 4.2246 4.3065 4.3065 4.7439 4.7439 4.8847 4.8847 6.3454 6.3454 7.7205 7.7205 7.8958 7.8958 8.0351 8.0351 8.1622 8.1622 9.1599 9.1599 12.2771 12.2771 k = 0.0000 0.0000 0.3019 ( 2404 PWs) bands (ev): -12.4242 -12.4242 -10.2849 -10.2849 -10.0831 -10.0831 -2.2198 -2.2198 1.2520 1.2520 1.4697 1.4697 3.2061 3.2061 3.6540 3.6540 4.1383 4.1383 4.2498 4.2498 4.3212 4.3212 4.7287 4.7287 4.8759 4.8759 6.3455 6.3455 7.7038 7.7038 7.8886 7.8886 8.0350 8.0350 8.1287 8.1287 9.1612 9.1612 12.2694 12.2694 k = 0.0000 0.0000 0.3135 ( 2404 PWs) bands (ev): -12.4208 -12.4208 -10.2848 -10.2848 -10.0872 -10.0872 -2.2262 -2.2262 1.2512 1.2512 1.4685 1.4685 3.1946 3.1946 3.6521 3.6521 4.1725 4.1725 4.2748 4.2748 4.3350 4.3350 4.7139 4.7139 4.8676 4.8676 6.3456 6.3456 7.6876 7.6876 7.8820 7.8820 8.0350 8.0350 8.0981 8.0981 9.1631 9.1631 12.2627 12.2627 k = 0.0000 0.0000 0.3252 ( 2384 PWs) bands (ev): -12.4178 -12.4178 -10.2848 -10.2848 -10.0909 -10.0909 -2.2318 -2.2318 1.2505 1.2505 1.4675 1.4675 3.1845 3.1845 3.6505 3.6505 4.2028 4.2028 4.2987 4.2987 4.3477 4.3477 4.6997 4.6997 4.8597 4.8597 6.3457 6.3457 7.6723 7.6723 7.8763 7.8763 8.0350 8.0350 8.0710 8.0710 9.1655 9.1655 12.2568 12.2568 k = 0.0000 0.0000 0.3368 ( 2388 PWs) bands (ev): -12.4153 -12.4153 -10.2847 -10.2847 -10.0940 -10.0940 -2.2367 -2.2367 1.2499 1.2499 1.4666 1.4666 3.1756 3.1756 3.6491 3.6491 4.2290 4.2290 4.3205 4.3205 4.3590 4.3590 4.6866 4.6866 4.8526 4.8526 6.3457 6.3457 7.6580 7.6580 7.8712 7.8712 8.0350 8.0350 8.0476 8.0476 9.1678 9.1678 12.2519 12.2519 k = 0.0000 0.0000 0.3484 ( 2388 PWs) bands (ev): -12.4132 -12.4132 -10.2847 -10.2847 -10.0966 -10.0966 -2.2407 -2.2407 1.2494 1.2494 1.4659 1.4659 3.1683 3.1683 3.6479 3.6479 4.2511 4.2511 4.3395 4.3395 4.3687 4.3687 4.6750 4.6750 4.8463 4.8463 6.3457 6.3457 7.6453 7.6453 7.8670 7.8670 8.0284 8.0284 8.0351 8.0351 9.1700 9.1700 12.2478 12.2478 k = 0.0000 0.0000 0.3600 ( 2396 PWs) bands (ev): -12.4115 -12.4115 -10.2847 -10.2847 -10.0987 -10.0987 -2.2438 -2.2438 1.2490 1.2490 1.4653 1.4653 3.1625 3.1625 3.6469 3.6469 4.2690 4.2690 4.3547 4.3547 4.3765 4.3765 4.6653 4.6653 4.8412 4.8412 6.3456 6.3456 7.6348 7.6348 7.8635 7.8635 8.0134 8.0134 8.0351 8.0351 9.1718 9.1718 12.2447 12.2447 k = 0.0000 0.0000 0.3716 ( 2396 PWs) bands (ev): -12.4103 -12.4103 -10.2847 -10.2847 -10.1002 -10.1002 -2.2461 -2.2461 1.2487 1.2487 1.4648 1.4648 3.1583 3.1583 3.6463 3.6463 4.2824 4.2824 4.3657 4.3657 4.3822 4.3822 4.6581 4.6581 4.8374 4.8374 6.3456 6.3456 7.6269 7.6269 7.8611 7.8611 8.0027 8.0027 8.0351 8.0351 9.1733 9.1733 12.2424 12.2424 k = 0.0000 0.0000 0.3832 ( 2396 PWs) bands (ev): -12.4095 -12.4095 -10.2847 -10.2847 -10.1011 -10.1011 -2.2474 -2.2474 1.2485 1.2485 1.4646 1.4646 3.1558 3.1558 3.6459 3.6459 4.2907 4.2907 4.3722 4.3722 4.3857 4.3857 4.6536 4.6536 4.8351 4.8351 6.3456 6.3456 7.6220 7.6220 7.8597 7.8597 7.9963 7.9963 8.0351 8.0351 9.1742 9.1742 12.2411 12.2411 k = 0.0000 0.0000 0.3948 ( 2396 PWs) bands (ev): -12.4093 -12.4093 -10.2847 -10.2847 -10.1014 -10.1014 -2.2479 -2.2479 1.2484 1.2484 1.4645 1.4645 3.1550 3.1550 3.6457 3.6457 4.2935 4.2935 4.3744 4.3744 4.3869 4.3869 4.6520 4.6520 4.8343 4.8343 6.3456 6.3456 7.6203 7.6203 7.8592 7.8592 7.9942 7.9942 8.0351 8.0351 9.1745 9.1745 12.2406 12.2406 k = 0.0000 0.0000 0.3948 ( 2396 PWs) bands (ev): -12.4093 -12.4093 -10.2847 -10.2847 -10.1014 -10.1014 -2.2479 -2.2479 1.2484 1.2484 1.4645 1.4645 3.1550 3.1550 3.6457 3.6457 4.2935 4.2935 4.3744 4.3744 4.3869 4.3869 4.6520 4.6520 4.8343 4.8343 6.3456 6.3456 7.6203 7.6203 7.8592 7.8592 7.9942 7.9942 8.0351 8.0351 9.1745 9.1745 12.2406 12.2406 k = 0.0000 0.0116 0.3948 ( 2396 PWs) bands (ev): -12.4091 -12.4080 -10.2854 -10.2850 -10.1013 -10.1011 -2.2488 -2.2483 1.2445 1.2527 1.4644 1.4649 3.1552 3.1558 3.6452 3.6454 4.2744 4.2981 4.3639 4.3701 4.3912 4.3934 4.6381 4.6718 4.8365 4.8372 6.3458 6.3474 7.5995 7.6408 7.8529 7.8627 7.9853 8.0009 8.0332 8.0454 9.1749 9.1767 12.2354 12.2428 k = 0.0000 0.0233 0.3948 ( 2400 PWs) bands (ev): -12.4074 -12.4052 -10.2873 -10.2864 -10.1009 -10.1004 -2.2511 -2.2501 1.2409 1.2574 1.4648 1.4655 3.1564 3.1578 3.6438 3.6441 4.2448 4.2845 4.3495 4.3627 4.3933 4.4025 4.6323 4.6924 4.8426 4.8474 6.3478 6.3510 7.5786 7.6602 7.8458 7.8607 7.9807 8.0037 8.0362 8.0635 9.1781 9.1818 12.2271 12.2419 k = 0.0000 0.0349 0.3948 ( 2396 PWs) bands (ev): -12.4042 -12.4009 -10.2903 -10.2889 -10.1001 -10.0994 -2.2547 -2.2532 1.2375 1.2624 1.4656 1.4665 3.1588 3.1608 3.6413 3.6419 4.2082 4.2525 4.3379 4.3547 4.3909 4.4087 4.6341 4.7087 4.8524 4.8669 6.3517 6.3567 7.5581 7.6778 7.8388 7.8519 7.9849 8.0051 8.0418 8.0858 9.1841 9.1898 12.2157 12.2380 k = 0.0000 0.0465 0.3948 ( 2404 PWs) bands (ev): -12.3996 -12.3951 -10.2944 -10.2925 -10.0989 -10.0980 -2.2596 -2.2576 1.2343 1.2678 1.4672 1.4677 3.1621 3.1648 3.6375 3.6387 4.1668 4.2080 4.3275 4.3450 4.3850 4.4112 4.6407 4.7184 4.8660 4.8957 6.3573 6.3639 7.5379 7.6924 7.8323 7.8375 7.9977 8.0067 8.0490 8.1099 9.1930 9.2008 12.2014 12.2312 k = 0.0000 0.0581 0.3948 ( 2408 PWs) bands (ev): -12.3934 -12.3878 -10.2995 -10.2972 -10.0974 -10.0963 -2.2657 -2.2634 1.2311 1.2734 1.4694 1.4696 3.1663 3.1697 3.6322 3.6342 4.1222 4.1562 4.3159 4.3328 4.3770 4.4104 4.6491 4.7226 4.8833 4.9313 6.3646 6.3730 7.5182 7.7026 7.8214 7.8269 8.0089 8.0161 8.0583 8.1349 9.2047 9.2150 12.1840 12.2217 k = 0.0000 0.0698 0.3948 ( 2412 PWs) bands (ev): -12.3858 -12.3791 -10.3058 -10.3030 -10.0955 -10.0942 -2.2732 -2.2704 1.2279 1.2792 1.4718 1.4732 3.1714 3.1753 3.6250 3.6282 4.0754 4.1000 4.3023 4.3178 4.3681 4.4073 4.6573 4.7232 4.9044 4.9706 6.3735 6.3836 7.4989 7.7064 7.8073 7.8225 8.0118 8.0357 8.0716 8.1603 9.2196 9.2326 12.1639 12.2095 k = 0.0000 0.0814 0.3948 ( 2404 PWs) bands (ev): -12.3766 -12.3689 -10.3132 -10.3100 -10.0933 -10.0917 -2.2817 -2.2786 1.2245 1.2849 1.4750 1.4779 3.1770 3.1816 3.6157 3.6206 4.0269 4.0408 4.2864 4.2999 4.3589 4.4029 4.6644 4.7219 4.9286 5.0115 6.3840 6.3958 7.4800 7.7016 7.7987 7.8195 8.0154 8.0510 8.0928 8.1857 9.2378 9.2538 12.1410 12.1948 k = 0.0000 0.0930 0.3948 ( 2410 PWs) bands (ev): -12.3661 -12.3572 -10.3218 -10.3180 -10.0907 -10.0890 -2.2915 -2.2880 1.2210 1.2905 1.4793 1.4841 3.1832 3.1881 3.6039 3.6111 3.9771 3.9799 4.2681 4.2793 4.3502 4.3981 4.6700 4.7197 4.9552 5.0524 6.3955 6.4091 7.4615 7.6884 7.7964 7.8175 8.0193 8.0608 8.1211 8.2108 9.2594 9.2788 12.1156 12.1778 k = 0.0000 0.1047 0.3948 ( 2406 PWs) bands (ev): -12.3540 -12.3442 -10.3314 -10.3271 -10.0879 -10.0859 -2.3023 -2.2986 1.2174 1.2958 1.4849 1.4918 3.1897 3.1948 3.5895 3.5994 3.9178 3.9264 4.2474 4.2562 4.3424 4.3936 4.6744 4.7173 4.9832 5.0924 6.4083 6.4236 7.4435 7.6695 7.7985 7.8167 8.0234 8.0677 8.1529 8.2355 9.2846 9.3078 12.0879 12.1587 k = 0.0000 0.1163 0.3948 ( 2410 PWs) bands (ev): -12.3406 -12.3297 -10.3422 -10.3374 -10.0847 -10.0826 -2.3141 -2.3102 1.2135 1.3004 1.4922 1.5011 3.1962 3.2012 3.5724 3.5854 3.8553 3.8750 4.2240 4.2308 4.3360 4.3901 4.6780 4.7151 5.0121 5.1309 6.4220 6.4389 7.4262 7.6478 7.8026 7.8169 8.0274 8.0727 8.1857 8.2595 9.3136 9.3409 12.0581 12.1377 k = 0.0000 0.1279 0.3948 ( 2414 PWs) bands (ev): -12.3257 -12.3138 -10.3542 -10.3487 -10.0812 -10.0790 -2.3269 -2.3229 1.2095 1.3044 1.5014 1.5121 3.2025 3.2069 3.5529 3.5690 3.7928 3.8230 4.1981 4.2031 4.3317 4.3881 4.6812 4.7135 5.0409 5.1674 6.4365 6.4550 7.4096 7.6250 7.8076 7.8180 8.0310 8.0763 8.2182 8.2824 9.3465 9.3782 12.0265 12.1151 k = 0.0000 0.1395 0.3948 ( 2410 PWs) bands (ev): -12.3094 -12.2965 -10.3672 -10.3612 -10.0775 -10.0751 -2.3406 -2.3364 1.2055 1.3076 1.5126 1.5249 3.2083 3.2112 3.5316 3.5500 3.7310 3.7705 4.1696 4.1732 4.3299 4.3880 4.6843 4.7125 5.0693 5.2016 6.4516 6.4718 7.3941 7.6022 7.8129 7.8199 8.0342 8.0786 8.2494 8.3042 9.3835 9.4197 11.9933 12.0912 k = 0.0000 0.1512 0.3948 ( 2410 PWs) bands (ev): -12.2918 -12.2779 -10.3814 -10.3748 -10.0735 -10.0710 -2.3550 -2.3508 1.2016 1.3100 1.5260 1.5395 3.2130 3.2134 3.5091 3.5282 3.6709 3.7178 4.1385 4.1412 4.3309 4.3902 4.6874 4.7123 5.0968 5.2332 6.4673 6.4889 7.3799 7.5800 7.8183 7.8223 8.0365 8.0796 8.2786 8.3244 9.4244 9.4652 11.9590 12.0663 k = 0.0000 0.1628 0.3948 ( 2406 PWs) bands (ev): -12.2728 -12.2579 -10.3968 -10.3896 -10.0693 -10.0666 -2.3702 -2.3660 1.1977 1.3118 1.5414 1.5558 3.2123 3.2161 3.4866 3.5026 3.6143 3.6651 4.1051 4.1069 4.3347 4.3947 4.6909 4.7129 5.1229 5.2620 6.4834 6.5064 7.3672 7.5588 7.8237 7.8253 8.0380 8.0795 8.3054 8.3430 9.4692 9.5145 11.9238 12.0407 k = 0.0000 0.1744 0.3948 ( 2406 PWs) bands (ev): -12.2525 -12.2367 -10.4133 -10.4055 -10.0648 -10.0621 -2.3860 -2.3818 1.1941 1.3129 1.5590 1.5738 3.2066 3.2169 3.4653 3.4709 3.5647 3.6132 4.0693 4.0707 4.3414 4.4015 4.6947 4.7143 5.1476 5.2879 6.4996 6.5238 7.3562 7.5390 7.8286 7.8290 8.0386 8.0781 8.3295 8.3595 9.5176 9.5671 11.8882 12.0148 k = 0.0000 0.1860 0.3948 ( 2402 PWs) bands (ev): -12.2309 -12.2141 -10.4310 -10.4225 -10.0602 -10.0574 -2.4023 -2.3982 1.1908 1.3136 1.5785 1.5935 3.1952 3.2144 3.4299 3.4455 3.5263 3.5633 4.0315 4.0324 4.3509 4.4106 4.6989 4.7164 5.1704 5.3106 6.5160 6.5413 7.3472 7.5208 7.8321 7.8342 8.0381 8.0755 8.3506 8.3741 9.5695 9.6225 11.8525 11.9890 k = 0.0000 0.1977 0.3948 ( 2410 PWs) bands (ev): -12.2080 -12.1904 -10.4498 -10.4406 -10.0554 -10.0525 -2.4191 -2.4152 1.1880 1.3139 1.6000 1.6149 3.1772 3.2076 3.3804 3.4252 3.4998 3.5186 3.9917 3.9923 4.3628 4.4218 4.7035 4.7192 5.1913 5.3302 6.5323 6.5586 7.3402 7.5043 7.8358 7.8394 8.0365 8.0717 8.3688 8.3865 9.6242 9.6801 11.8171 11.9637 k = 0.0000 0.2093 0.3948 ( 2418 PWs) bands (ev): -12.1839 -12.1654 -10.4697 -10.4599 -10.0505 -10.0475 -2.4363 -2.4325 1.1857 1.3141 1.6233 1.6378 3.1528 3.1959 3.3263 3.3981 3.4824 3.4860 3.9501 3.9505 4.3770 4.4349 4.7084 4.7227 5.2102 5.3467 6.5485 6.5755 7.3354 7.4898 7.8394 7.8443 8.0339 8.0669 8.3841 8.3968 9.6812 9.7391 11.7825 11.9392 k = 0.0000 0.2209 0.3948 ( 2418 PWs) bands (ev): -12.1585 -12.1393 -10.4908 -10.4803 -10.0455 -10.0424 -2.4536 -2.4501 1.1840 1.3142 1.6483 1.6622 3.1230 3.1788 3.2709 3.3593 3.4700 3.4718 3.9070 3.9072 4.3930 4.4495 4.7138 4.7268 5.2269 5.3600 6.5646 6.5923 7.3331 7.4775 7.8431 7.8492 8.0304 8.0611 8.3967 8.4050 9.7401 9.7990 11.7493 11.9161 k = 0.0000 0.2326 0.3948 ( 2418 PWs) bands (ev): -12.1321 -12.1120 -10.5130 -10.5018 -10.0404 -10.0373 -2.4712 -2.4678 1.1830 1.3144 1.6749 1.6882 3.0890 3.1564 3.2156 3.3129 3.4658 3.4667 3.8625 3.8627 4.4106 4.4656 4.7195 4.7313 5.2415 5.3702 6.5805 6.6086 7.3332 7.4675 7.8466 7.8540 8.0259 8.0544 8.4066 8.4111 9.8001 9.8588 11.7177 11.8948 k = 0.0000 0.2442 0.3948 ( 2420 PWs) bands (ev): -12.1044 -12.0836 -10.5363 -10.5244 -10.0352 -10.0321 -2.4888 -2.4857 1.1827 1.3147 1.7030 1.7155 3.0519 3.1286 3.1623 3.2636 3.4658 3.4677 3.8169 3.8170 4.4294 4.4827 4.7254 4.7363 5.2539 5.3775 6.5961 6.6243 7.3356 7.4596 7.8499 7.8586 8.0206 8.0469 8.4140 8.4153 9.8605 9.9178 11.6884 11.8756 k = 0.0000 0.2558 0.3948 ( 2420 PWs) bands (ev): -12.0757 -12.0542 -10.5607 -10.5481 -10.0300 -10.0269 -2.5063 -2.5035 1.1832 1.3152 1.7326 1.7443 3.0127 3.0925 3.1150 3.2137 3.4681 3.4731 3.7703 3.7704 4.4493 4.5007 4.7316 4.7416 5.2642 5.3820 6.6113 6.6396 7.3404 7.4541 7.8529 7.8630 8.0146 8.0387 8.4177 8.4192 9.9205 9.9752 11.6617 11.8590 k = 0.0000 0.2674 0.3948 ( 2416 PWs) bands (ev): -12.0459 -12.0238 -10.5862 -10.5728 -10.0248 -10.0217 -2.5237 -2.5212 1.1845 1.3160 1.7635 1.7743 2.9724 3.0456 3.0775 3.1643 3.4727 3.4802 3.7231 3.7233 4.4698 4.5193 4.7379 4.7472 5.2723 5.3839 6.6261 6.6541 7.3476 7.4509 7.8555 7.8673 8.0081 8.0298 8.4183 8.4222 9.9794 10.0304 11.6382 11.8453 k = 0.0000 0.2791 0.3948 ( 2414 PWs) bands (ev): -12.0152 -11.9924 -10.6128 -10.5987 -10.0196 -10.0165 -2.5409 -2.5386 1.1866 1.3169 1.7957 1.8056 2.9313 2.9958 3.0431 3.1160 3.4786 3.4880 3.6756 3.6760 4.4908 4.5384 4.7444 4.7531 5.2785 5.3834 6.6404 6.6680 7.3570 7.4499 7.8575 7.8712 8.0013 8.0206 8.4173 8.4232 10.0363 10.0826 11.6184 11.8348 k = 0.0000 0.2907 0.3948 ( 2414 PWs) bands (ev): -11.9835 -11.9601 -10.6404 -10.6255 -10.0144 -10.0114 -2.5578 -2.5558 1.1895 1.3182 1.8291 1.8381 2.8901 2.9465 3.0089 3.0690 3.4847 3.4950 3.6285 3.6296 4.5120 4.5575 4.7509 4.7591 5.2828 5.3807 6.6542 6.6812 7.3683 7.4511 7.8589 7.8747 7.9943 8.0111 8.4149 8.4225 10.0907 10.1313 11.6026 11.8277 k = 0.0000 0.3023 0.3948 ( 2416 PWs) bands (ev): -11.9509 -11.9270 -10.6690 -10.6534 -10.0094 -10.0064 -2.5743 -2.5725 1.1931 1.3197 1.8636 1.8717 2.8491 2.8986 2.9748 3.0238 3.4885 3.4978 3.5841 3.5874 4.5332 4.5766 4.7575 4.7651 5.2853 5.3761 6.6674 6.6936 7.3815 7.4543 7.8596 7.8779 7.9873 8.0014 8.4110 8.4200 10.1416 10.1761 11.5913 11.8240 k = 0.0000 0.3140 0.3948 ( 2416 PWs) bands (ev): -11.9174 -11.8931 -10.6986 -10.6823 -10.0044 -10.0015 -2.5903 -2.5888 1.1976 1.3214 1.8991 1.9064 2.8088 2.8524 2.9411 2.9805 3.4816 3.4861 3.5505 3.5596 4.5543 4.5955 4.7640 4.7712 5.2862 5.3698 6.6800 6.7053 7.3963 7.4594 7.8593 7.8805 7.9807 7.9918 8.4060 8.4161 10.1886 10.2165 11.5847 11.8236 k = 0.0000 0.3256 0.3948 ( 2418 PWs) bands (ev): -11.8832 -11.8584 -10.7291 -10.7121 -9.9996 -9.9968 -2.6057 -2.6045 1.2028 1.3232 1.9357 1.9421 2.7693 2.8082 2.9081 2.9393 3.4516 3.4517 3.5401 3.5541 4.5749 4.6140 4.7704 4.7773 5.2858 5.3623 6.6920 6.7163 7.4125 7.4663 7.8581 7.8824 7.9745 7.9825 8.3998 8.4108 10.2312 10.2525 11.5831 11.8264 k = 0.0000 0.3372 0.3948 ( 2418 PWs) bands (ev): -11.8482 -11.8230 -10.7605 -10.7428 -9.9949 -9.9923 -2.6205 -2.6195 1.2087 1.3252 1.9731 1.9787 2.7310 2.7660 2.8760 2.9003 3.4064 3.4074 3.5438 3.5592 4.5951 4.6319 4.7767 4.7832 5.2841 5.3536 6.7033 6.7264 7.4300 7.4747 7.8558 7.8836 7.9690 7.9738 8.3928 8.4043 10.2689 10.2840 11.5863 11.8320 k = 0.0000 0.3488 0.3948 ( 2418 PWs) bands (ev): -11.8126 -11.7871 -10.7927 -10.7743 -9.9905 -9.9879 -2.6346 -2.6338 1.2153 1.3273 2.0113 2.0161 2.6942 2.7260 2.8452 2.8638 3.3578 3.3591 3.5516 3.5673 4.6146 4.6491 4.7828 4.7890 5.2815 5.3441 6.7140 6.7358 7.4483 7.4845 7.8525 7.8837 7.9643 7.9660 8.3850 8.3968 10.3017 10.3110 11.5942 11.8397 k = 0.0000 0.3605 0.3948 ( 2424 PWs) bands (ev): -11.7763 -11.7507 -10.8257 -10.8066 -9.9862 -9.9838 -2.6479 -2.6473 1.2224 1.3293 2.0501 2.0541 2.6591 2.6883 2.8158 2.8296 3.3081 3.3094 3.5607 3.5762 4.6332 4.6654 4.7887 4.7946 5.2780 5.3341 6.7240 6.7443 7.4673 7.4954 7.8481 7.8825 7.9593 7.9605 8.3765 8.3885 10.3295 10.3339 11.6065 11.8489 k = 0.0000 0.3721 0.3948 ( 2416 PWs) bands (ev): -11.7396 -11.7138 -10.8593 -10.8397 -9.9822 -9.9799 -2.6603 -2.6599 1.2300 1.3311 2.0894 2.0927 2.6261 2.6532 2.7880 2.7980 3.2580 3.2594 3.5701 3.5852 4.6509 4.6808 4.7943 4.8000 5.2740 5.3239 6.7333 6.7522 7.4867 7.5073 7.8429 7.8800 7.9540 7.9575 8.3676 8.3794 10.3526 10.3530 11.6227 11.8590 k = 0.0000 0.3837 0.3948 ( 2420 PWs) bands (ev): -11.7025 -11.6765 -10.8936 -10.8734 -9.9784 -9.9763 -2.6720 -2.6716 1.2381 1.3328 2.1291 2.1316 2.5955 2.6207 2.7620 2.7690 3.2081 3.2094 3.5794 3.5939 4.6676 4.6951 4.7996 4.8050 5.2696 5.3135 6.7419 6.7592 7.5061 7.5197 7.8371 7.8760 7.9501 7.9552 8.3583 8.3699 10.3686 10.3713 11.6420 11.8691 k = 0.0000 0.3953 0.3948 ( 2416 PWs) bands (ev): -11.6651 -11.6391 -10.9284 -10.9076 -9.9749 -9.9730 -2.6826 -2.6823 1.2464 1.3341 2.1688 2.1706 2.5675 2.5910 2.7380 2.7427 3.1585 3.1597 3.5885 3.6021 4.6831 4.7081 4.8045 4.8096 5.2651 5.3033 6.7499 6.7656 7.5252 7.5326 7.8310 7.8708 7.9475 7.9535 8.3491 8.3600 10.3812 10.3862 11.6638 11.8785 k = 0.0000 0.4070 0.3948 ( 2426 PWs) bands (ev): -11.6275 -11.6016 -10.9635 -10.9423 -9.9717 -9.9700 -2.6923 -2.6921 1.2550 1.3350 2.2082 2.2092 2.5426 2.5644 2.7161 2.7190 3.1096 3.1108 3.5970 3.6096 4.6974 4.7199 4.8091 4.8139 5.2606 5.2935 6.7570 6.7711 7.5437 7.5455 7.8247 7.8645 7.9460 7.9522 8.3399 8.3501 10.3912 10.3975 11.6872 11.8865 k = 0.0000 0.4186 0.3948 ( 2422 PWs) bands (ev): -11.5899 -11.5643 -10.9987 -10.9773 -9.9688 -9.9673 -2.7009 -2.7008 1.2637 1.3354 2.2466 2.2470 2.5212 2.5413 2.6965 2.6981 3.0619 3.0628 3.6049 3.6163 4.7103 4.7303 4.8132 4.8176 5.2563 5.2843 6.7635 6.7759 7.5584 7.5612 7.8189 7.8577 7.9454 7.9513 8.3312 8.3405 10.3991 10.4061 11.7116 11.8925 k = 0.0000 0.4302 0.3948 ( 2422 PWs) bands (ev): -11.5525 -11.5274 -11.0339 -11.0124 -9.9663 -9.9650 -2.7084 -2.7084 1.2723 1.3351 2.2831 2.2833 2.5040 2.5223 2.6792 2.6799 3.0156 3.0164 3.6122 3.6222 4.7219 4.7393 4.8169 4.8209 5.2524 5.2758 6.7692 6.7799 7.5710 7.5772 7.8136 7.8504 7.9453 7.9507 8.3230 8.3313 10.4053 10.4123 11.7362 11.8961 k = 0.0000 0.4419 0.3948 ( 2424 PWs) bands (ev): -11.5157 -11.4913 -11.0685 -11.0472 -9.9641 -9.9630 -2.7148 -2.7148 1.2808 1.3341 2.3161 2.3168 2.4919 2.5081 2.6643 2.6644 2.9715 2.9722 3.6186 3.6272 4.7321 4.7467 4.8201 4.8237 5.2491 5.2681 6.7741 6.7830 7.5828 7.5913 7.8093 7.8430 7.9455 7.9502 8.3156 8.3227 10.4100 10.4166 11.7603 11.8971 k = 0.0000 0.4535 0.3948 ( 2424 PWs) bands (ev): -11.4799 -11.4568 -11.1018 -11.0812 -9.9623 -9.9613 -2.7202 -2.7201 1.2890 1.3323 2.3441 2.3448 2.4865 2.4999 2.6518 2.6520 2.9306 2.9311 3.6241 3.6312 4.7407 4.7526 4.8229 4.8259 5.2465 5.2614 6.7784 6.7855 7.5936 7.6031 7.8063 7.8357 7.9460 7.9498 8.3094 8.3152 10.4137 10.4194 11.7835 11.8952 k = 0.0000 0.4651 0.3948 ( 2424 PWs) bands (ev): -11.4460 -11.4252 -11.1327 -11.1137 -9.9608 -9.9601 -2.7243 -2.7243 1.2968 1.3297 2.3646 2.3649 2.4886 2.4987 2.6419 2.6422 2.8944 2.8947 3.6287 3.6341 4.7479 4.7569 4.8252 4.8275 5.2447 5.2557 6.7819 6.7873 7.6032 7.6121 7.8047 7.8285 7.9465 7.9494 8.3044 8.3088 10.4165 10.4210 11.8053 11.8904 k = 0.0000 0.4767 0.3948 ( 2432 PWs) bands (ev): -11.4156 -11.3988 -11.1586 -11.1429 -9.9597 -9.9592 -2.7273 -2.7273 1.3041 1.3262 2.3766 2.3769 2.4969 2.5034 2.6348 2.6351 2.8649 2.8650 3.6323 3.6359 4.7534 4.7594 4.8269 4.8285 5.2438 5.2510 6.7846 6.7882 7.6110 7.6180 7.8050 7.8217 7.9471 7.9490 8.3009 8.3039 10.4186 10.4217 11.8253 11.8827 k = 0.0000 0.4884 0.3948 ( 2432 PWs) bands (ev): -11.3918 -11.3818 -11.1754 -11.1660 -9.9590 -9.9588 -2.7291 -2.7291 1.3108 1.3219 2.3820 2.3823 2.5063 2.5094 2.6306 2.6307 2.8452 2.8452 3.6348 3.6366 4.7574 4.7604 4.8282 4.8290 5.2439 5.2475 6.7866 6.7884 7.6168 7.6207 7.8070 7.8157 7.9476 7.9486 8.2991 8.3005 10.4202 10.4218 11.8433 11.8722 k = 0.0000 0.5000 0.3948 ( 2440 PWs) bands (ev): -11.3791 -11.3791 -11.1782 -11.1782 -9.9587 -9.9587 -2.7297 -2.7297 1.3167 1.3167 2.3836 2.3836 2.5112 2.5112 2.6292 2.6292 2.8381 2.8381 3.6363 3.6363 4.7597 4.7597 4.8288 4.8288 5.2451 5.2451 6.7878 6.7878 7.6202 7.6202 7.8106 7.8106 7.9481 7.9481 8.2989 8.2989 10.4212 10.4212 11.8590 11.8590 k = 0.0000 0.5000 0.3948 ( 2440 PWs) bands (ev): -11.3791 -11.3791 -11.1782 -11.1782 -9.9587 -9.9587 -2.7297 -2.7297 1.3167 1.3167 2.3836 2.3836 2.5112 2.5112 2.6292 2.6292 2.8381 2.8381 3.6363 3.6363 4.7597 4.7597 4.8288 4.8288 5.2451 5.2451 6.7878 6.7878 7.6202 7.6202 7.8106 7.8106 7.9481 7.9481 8.2989 8.2989 10.4212 10.4212 11.8590 11.8590 k = 0.0116 0.5000 0.3948 ( 2432 PWs) bands (ev): -11.3794 -11.3779 -11.1781 -11.1780 -9.9586 -9.9586 -2.7303 -2.7303 1.3141 1.3186 2.3113 2.4274 2.4981 2.4999 2.6300 2.6464 2.8104 2.9034 3.6367 3.6369 4.7579 4.7616 4.8263 4.8289 5.2355 5.2499 6.7853 6.7903 7.6191 7.6200 7.7984 7.8227 7.9341 7.9622 8.2978 8.3009 10.4026 10.4419 11.8508 11.8688 k = 0.0233 0.5000 0.3948 ( 2428 PWs) bands (ev): -11.3788 -11.3759 -11.1775 -11.1773 -9.9583 -9.9582 -2.7321 -2.7321 1.3106 1.3197 2.2302 2.4140 2.4608 2.4808 2.6455 2.6829 2.8356 2.9850 3.6381 3.6385 4.7562 4.7637 4.8212 4.8264 5.2210 5.2496 6.7825 6.7925 7.6169 7.6186 7.7859 7.8340 7.9207 7.9762 8.2974 8.3036 10.3862 10.4646 11.8445 11.8796 k = 0.0349 0.5000 0.3948 ( 2428 PWs) bands (ev): -11.3773 -11.3730 -11.1765 -11.1763 -9.9578 -9.9576 -2.7351 -2.7350 1.3062 1.3201 2.1463 2.3723 2.4145 2.4303 2.6878 2.7267 2.8960 3.0737 3.6405 3.6412 4.7544 4.7659 4.8137 4.8216 5.2018 5.2442 6.7796 6.7944 7.6136 7.6160 7.7727 7.8423 7.9102 7.9905 8.2980 8.3069 10.3720 10.4892 11.8405 11.8911 k = 0.0465 0.5000 0.3948 ( 2428 PWs) bands (ev): -11.3750 -11.3692 -11.1750 -11.1748 -9.9570 -9.9568 -2.7393 -2.7392 1.3007 1.3197 2.0623 2.3235 2.3621 2.3655 2.7395 2.7723 2.9743 3.1661 3.6439 3.6448 4.7523 4.7681 4.8042 4.8146 5.1782 5.2338 6.7768 6.7961 7.6090 7.6121 7.7587 7.8424 7.9079 8.0055 8.2993 8.3107 10.3601 10.5156 11.8391 11.9027 k = 0.0581 0.5000 0.3948 ( 2424 PWs) bands (ev): -11.3718 -11.3646 -11.1732 -11.1729 -9.9561 -9.9558 -2.7448 -2.7446 1.2940 1.3183 1.9797 2.2697 2.2915 2.3160 2.7910 2.8178 3.0626 3.2606 3.6484 3.6495 4.7498 4.7702 4.7930 4.8057 5.1503 5.2184 6.7740 6.7976 7.6035 7.6070 7.7434 7.8315 7.9167 8.0213 8.3015 8.3149 10.3506 10.5436 11.8405 11.9140 k = 0.0698 0.5000 0.3948 ( 2428 PWs) bands (ev): -11.3678 -11.3592 -11.1710 -11.1706 -9.9549 -9.9546 -2.7516 -2.7513 1.2858 1.3160 1.8993 2.2040 2.2318 2.2672 2.8400 2.8622 3.1567 3.3561 3.6538 3.6550 4.7464 4.7702 4.7825 4.7954 5.1185 5.1980 6.7711 6.7988 7.5969 7.6005 7.7265 7.8133 7.9329 8.0383 8.3043 8.3194 10.3434 10.5731 11.8448 11.9245 k = 0.0814 0.5000 0.3948 ( 2428 PWs) bands (ev): -11.3630 -11.3530 -11.1684 -11.1679 -9.9535 -9.9532 -2.7597 -2.7592 1.2760 1.3126 1.8219 2.1317 2.1805 2.2197 2.8862 2.9050 3.2541 3.4519 3.6604 3.6617 4.7418 4.7609 4.7801 4.7839 5.0834 5.1728 6.7685 6.7999 7.5892 7.5928 7.7081 7.7912 7.9532 8.0565 8.3079 8.3242 10.3386 10.6040 11.8521 11.9340 k = 0.0930 0.5000 0.3948 ( 2428 PWs) bands (ev): -11.3574 -11.3461 -11.1655 -11.1649 -9.9520 -9.9516 -2.7691 -2.7685 1.2643 1.3079 1.7479 2.0601 2.1319 2.1738 2.9295 2.9459 3.3529 3.5469 3.6684 3.6699 4.7351 4.7461 4.7718 4.7824 5.0459 5.1428 6.7663 6.8009 7.5805 7.5838 7.6880 7.7665 7.9760 8.0760 8.3124 8.3293 10.3362 10.6360 11.8626 11.9422 k = 0.1047 0.5000 0.3948 ( 2424 PWs) bands (ev): -11.3509 -11.3384 -11.1621 -11.1615 -9.9502 -9.9498 -2.7800 -2.7791 1.2505 1.3016 1.6778 1.9909 2.0854 2.1302 2.9699 2.9845 3.4508 3.6348 3.6788 3.6851 4.7257 4.7302 4.7588 4.7855 5.0072 5.1084 6.7644 6.8020 7.5708 7.5736 7.6662 7.7401 8.0006 8.0963 8.3178 8.3347 10.3362 10.6690 11.8761 11.9493 k = 0.1163 0.5000 0.3948 ( 2428 PWs) bands (ev): -11.3438 -11.3299 -11.1585 -11.1577 -9.9483 -9.9479 -2.7923 -2.7910 1.2343 1.2937 1.6119 1.9248 2.0411 2.0890 3.0076 3.0207 3.5434 3.6732 3.6953 3.7493 4.7129 4.7141 4.7444 4.7888 4.9693 5.0698 6.7630 6.8030 7.5602 7.5622 7.6430 7.7122 8.0264 8.1171 8.3245 8.3406 10.3385 10.7027 11.8927 11.9555 k = 0.1279 0.5000 0.3948 ( 2424 PWs) bands (ev): -11.3359 -11.3208 -11.1545 -11.1536 -9.9462 -9.9457 -2.8060 -2.8043 1.2157 1.2837 1.5503 1.8623 1.9995 2.0508 3.0424 3.0544 3.6162 3.6837 3.7312 3.8399 4.6951 4.6986 4.7282 4.7918 4.9352 5.0276 6.7620 6.8041 7.5487 7.5497 7.6184 7.6833 8.0528 8.1379 8.3328 8.3473 10.3432 10.7370 11.9122 11.9611 k = 0.1395 0.5000 0.3948 ( 2420 PWs) bands (ev): -11.3273 -11.3111 -11.1503 -11.1492 -9.9439 -9.9435 -2.8212 -2.8191 1.1948 1.2715 1.4932 1.8037 1.9609 2.0157 3.0745 3.0855 3.6522 3.6910 3.8029 3.9315 4.6682 4.6841 4.7120 4.7942 4.9075 4.9827 6.7616 6.8054 7.5361 7.5363 7.5926 7.6534 8.0791 8.1577 8.3433 8.3550 10.3501 10.7716 11.9345 11.9667 k = 0.1512 0.5000 0.3948 ( 2424 PWs) bands (ev): -11.3181 -11.3008 -11.1457 -11.1445 -9.9415 -9.9410 -2.8379 -2.8352 1.1717 1.2568 1.4402 1.7492 1.9255 1.9840 3.1038 3.1140 3.6669 3.6967 3.8941 4.0213 4.6289 4.6712 4.6985 4.7946 4.8877 4.9368 6.7617 6.8068 7.5215 7.5231 7.5659 7.6227 8.1047 8.1757 8.3568 8.3644 10.3593 10.8063 11.9594 11.9728 k = 0.1628 0.5000 0.3948 ( 2420 PWs) bands (ev): -11.3083 -11.2900 -11.1409 -11.1396 -9.9390 -9.9385 -2.8560 -2.8528 1.1470 1.2396 1.3912 1.6990 1.8937 1.9559 3.1306 3.1401 3.6738 3.7008 3.9904 4.1080 4.5780 4.6605 4.6882 4.7899 4.8752 4.8941 6.7624 6.8085 7.5061 7.5089 7.5388 7.5917 8.1289 8.1912 8.3738 8.3760 10.3707 10.8408 11.9799 11.9867 k = 0.1744 0.5000 0.3948 ( 2416 PWs) bands (ev): -11.2979 -11.2786 -11.1359 -11.1344 -9.9364 -9.9358 -2.8756 -2.8717 1.1215 1.2197 1.3454 1.6534 1.8655 1.9313 3.1549 3.1636 3.6766 3.7028 4.0874 4.1898 4.5185 4.6524 4.6807 4.7729 4.8635 4.8683 6.7638 6.8105 7.4899 7.4934 7.5117 7.5602 8.1507 8.2036 8.3903 8.3944 10.3842 10.8749 11.9885 12.0163 k = 0.1860 0.5000 0.3948 ( 2412 PWs) bands (ev): -11.2870 -11.2668 -11.1306 -11.1290 -9.9336 -9.9331 -2.8967 -2.8920 1.0959 1.1971 1.3024 1.6124 1.8411 1.9103 3.1768 3.1849 3.6762 3.7026 4.1832 4.2638 4.4528 4.6472 4.6761 4.7407 4.8507 4.8652 6.7658 6.8129 7.4730 7.4741 7.4872 7.5284 8.1694 8.2130 8.4081 8.4186 10.3996 10.9083 11.9991 12.0478 k = 0.1977 0.5000 0.3948 ( 2424 PWs) bands (ev): -11.2757 -11.2547 -11.1252 -11.1234 -9.9308 -9.9302 -2.9191 -2.9136 1.0710 1.1721 1.2616 1.5762 1.8202 1.8927 3.1966 3.2041 3.6729 3.6998 4.2746 4.3234 4.3849 4.6449 4.6745 4.7071 4.8485 4.8648 6.7685 6.8157 7.4485 7.4555 7.4683 7.4966 8.1846 8.2195 8.4293 8.4459 10.4169 10.9408 12.0119 12.0811 k = 0.2093 0.5000 0.3948 ( 2424 PWs) bands (ev): -11.2639 -11.2422 -11.1196 -11.1176 -9.9279 -9.9273 -2.9428 -2.9365 1.0475 1.1448 1.2229 1.5449 1.8028 1.8782 3.2144 3.2213 3.6666 3.6944 4.2947 4.3569 4.3824 4.6454 4.6759 4.6907 4.8507 4.8663 6.7719 6.8188 7.4203 7.4375 7.4516 7.4649 8.1964 8.2238 8.4542 8.4756 10.4360 10.9721 12.0274 12.1158 k = 0.2209 0.5000 0.3948 ( 2424 PWs) bands (ev): -11.2518 -11.2294 -11.1139 -11.1117 -9.9250 -9.9244 -2.9676 -2.9605 1.0258 1.1157 1.1861 1.5185 1.7886 1.8667 3.2305 3.2368 3.6574 3.6862 4.2216 4.3527 4.4676 4.6489 4.6803 4.7051 4.8548 4.8694 6.7760 6.8225 7.3916 7.4189 7.4337 7.4351 8.2050 8.2263 8.4822 8.5072 10.4567 11.0019 12.0456 12.1516 k = 0.2326 0.5000 0.3948 ( 2416 PWs) bands (ev): -11.2395 -11.2165 -11.1081 -11.1056 -9.9220 -9.9213 -2.9935 -2.9855 1.0059 1.0851 1.1516 1.4971 1.7772 1.8579 3.2449 3.2506 3.6454 3.6754 4.1416 4.3147 4.5543 4.6562 4.6875 4.7466 4.8598 4.8739 6.7809 6.8266 7.3629 7.3984 7.4047 7.4187 8.2110 8.2274 8.5127 8.5402 10.4790 11.0301 12.0667 12.1885 k = 0.2442 0.5000 0.3948 ( 2412 PWs) bands (ev): -11.2269 -11.2034 -11.1022 -11.0995 -9.9189 -9.9183 -3.0203 -3.0114 0.9874 1.0533 1.1203 1.4807 1.7683 1.8514 3.2579 3.2631 3.6306 3.6622 4.0594 4.2562 4.6376 4.6665 4.6975 4.8028 4.8655 4.8801 6.7863 6.8312 7.3344 7.3702 7.3836 7.4022 8.2146 8.2273 8.5451 8.5740 10.5026 11.0565 12.0908 12.2259 k = 0.2558 0.5000 0.3948 ( 2412 PWs) bands (ev): -11.2142 -11.1903 -11.0963 -11.0933 -9.9159 -9.9153 -3.0479 -3.0382 0.9690 1.0209 1.0933 1.4692 1.7614 1.8469 3.2696 3.2743 3.6130 3.6469 3.9759 4.1865 4.6792 4.7049 4.7206 4.8624 4.8740 4.8889 6.7924 6.8362 7.3063 7.3404 7.3647 7.3856 8.2166 8.2264 8.5787 8.6082 10.5275 11.0808 12.1179 12.2638 k = 0.2674 0.5000 0.3948 ( 2408 PWs) bands (ev): -11.2014 -11.1772 -11.0903 -11.0871 -9.9129 -9.9123 -3.0760 -3.0656 0.9495 0.9882 1.0726 1.4625 1.7563 1.8442 3.2801 3.2843 3.5925 3.6299 3.8923 4.1104 4.6938 4.7214 4.7877 4.8763 4.9039 4.9300 6.7992 6.8418 7.2787 7.3109 7.3461 7.3691 8.2172 8.2249 8.6132 8.6427 10.5535 11.1031 12.1479 12.3018 k = 0.2791 0.5000 0.3948 ( 2412 PWs) bands (ev): -11.1886 -11.1642 -11.0844 -11.0808 -9.9099 -9.9093 -3.1046 -3.0934 0.9274 0.9554 1.0596 1.4606 1.7526 1.8431 3.2894 3.2933 3.5684 3.6115 3.8098 4.0300 4.7100 4.7366 4.8387 4.8826 4.9345 4.9930 6.8066 6.8479 7.2518 7.2822 7.3279 7.3527 8.2168 8.2228 8.6481 8.6771 10.5804 11.1230 12.1806 12.3397 k = 0.2907 0.5000 0.3948 ( 2408 PWs) bands (ev): -11.1758 -11.1514 -11.0785 -11.0746 -9.9069 -9.9063 -3.1333 -3.1215 0.9026 0.9230 1.0545 1.4634 1.7501 1.8434 3.2979 3.3013 3.5391 3.5921 3.7310 3.9469 4.7274 4.7528 4.8653 4.8887 4.9864 5.0545 6.8145 6.8545 7.2258 7.2543 7.3099 7.3365 8.2156 8.2203 8.6830 8.7111 10.6082 11.1407 12.2159 12.3773 k = 0.3023 0.5000 0.3948 ( 2408 PWs) bands (ev): -11.1633 -11.1389 -11.0726 -11.0684 -9.9040 -9.9034 -3.1621 -3.1498 0.8759 0.8912 1.0568 1.4706 1.7485 1.8447 3.3054 3.3085 3.5009 3.5721 3.6603 3.8620 4.7455 4.7696 4.8790 4.8947 5.0477 5.1135 6.8230 6.8616 7.2006 7.2274 7.2923 7.3205 8.2139 8.2176 8.7177 8.7446 10.6366 11.1559 12.2536 12.4144 k = 0.3140 0.5000 0.3948 ( 2408 PWs) bands (ev): -11.1509 -11.1267 -11.0668 -11.0623 -9.9012 -9.9006 -3.1906 -3.1779 0.8482 0.8603 1.0653 1.4822 1.7477 1.8471 3.3119 3.3149 3.4490 3.5518 3.6033 3.7757 4.7640 4.7868 4.8882 4.9007 5.1097 5.1698 6.8320 6.8691 7.1764 7.2015 7.2752 7.3047 8.2117 8.2147 8.7518 8.7774 10.6655 11.1688 12.2935 12.4508 k = 0.3256 0.5000 0.3948 ( 2412 PWs) bands (ev): -11.1389 -11.1149 -11.0611 -11.0564 -9.8984 -9.8979 -3.2186 -3.2057 0.8206 0.8304 1.0793 1.4977 1.7474 1.8503 3.3168 3.3206 3.3835 3.5314 3.5612 3.6887 4.7826 4.8040 4.8956 4.9064 5.1695 5.2229 6.8414 6.8771 7.1533 7.1767 7.2585 7.2893 8.2093 8.2117 8.7852 8.8093 10.6947 11.1793 12.3351 12.4862 k = 0.3372 0.5000 0.3948 ( 2416 PWs) bands (ev): -11.1272 -11.1037 -11.0554 -11.0505 -9.8958 -9.8952 -3.2460 -3.2329 0.7935 0.8017 1.0980 1.5169 1.7477 1.8542 3.2989 3.3256 3.3308 3.5110 3.5294 3.6017 4.8011 4.8211 4.9022 4.9120 5.2261 5.2728 6.8513 6.8854 7.1315 7.1533 7.2425 7.2742 8.2066 8.2086 8.8175 8.8400 10.7242 11.1874 12.3781 12.5206 k = 0.3488 0.5000 0.3948 ( 2416 PWs) bands (ev): -11.1161 -11.0931 -11.0498 -11.0447 -9.8932 -9.8927 -3.2725 -3.2595 0.7674 0.7745 1.1210 1.5394 1.7484 1.8588 3.2233 3.3299 3.3310 3.4882 3.5035 3.5178 4.8191 4.8376 4.9082 4.9174 5.2789 5.3192 6.8614 6.8942 7.1108 7.1310 7.2270 7.2596 8.2039 8.2055 8.8487 8.8696 10.7537 11.1931 12.4222 12.5538 k = 0.3605 0.5000 0.3948 ( 2416 PWs) bands (ev): -11.1054 -11.0833 -11.0443 -11.0392 -9.8908 -9.8904 -3.2979 -3.2851 0.7425 0.7487 1.1478 1.5645 1.7499 1.8641 3.1426 3.3333 3.3346 3.4233 3.4775 3.4811 4.8365 4.8536 4.9139 4.9225 5.3279 5.3621 6.8719 6.9032 7.0915 7.1101 7.2123 7.2453 8.2012 8.2025 8.8786 8.8978 10.7831 11.1966 12.4670 12.5857 k = 0.3721 0.5000 0.3948 ( 2412 PWs) bands (ev): -11.0954 -11.0744 -11.0389 -11.0338 -9.8886 -9.8881 -3.3220 -3.3095 0.7192 0.7247 1.1780 1.5912 1.7525 1.8699 3.0622 3.3287 3.3380 3.3456 3.4591 3.4613 4.8530 4.8687 4.9192 4.9273 5.3728 5.4015 6.8825 6.9125 7.0735 7.0905 7.1983 7.2316 8.1985 8.1996 8.9069 8.9244 10.8123 11.1979 12.5118 12.6162 k = 0.3837 0.5000 0.3948 ( 2412 PWs) bands (ev): -11.0861 -11.0664 -11.0335 -11.0286 -9.8865 -9.8860 -3.3446 -3.3326 0.6975 0.7023 1.2112 1.6180 1.7572 1.8763 2.9833 3.2510 3.3404 3.3408 3.4430 3.4437 4.8685 4.8828 4.9241 4.9317 5.4136 5.4374 6.8932 6.9219 7.0570 7.0725 7.1851 7.2183 8.1960 8.1968 8.9335 8.9493 10.8411 11.1970 12.5561 12.6451 k = 0.3953 0.5000 0.3948 ( 2424 PWs) bands (ev): -11.0775 -11.0594 -11.0282 -11.0237 -9.8845 -9.8841 -3.3656 -3.3543 0.6776 0.6819 1.2469 1.6421 1.7659 1.8833 2.9071 3.1672 3.3417 3.3429 3.4281 3.4286 4.8830 4.8959 4.9287 4.9358 5.4503 5.4696 6.9038 6.9311 7.0419 7.0559 7.1726 7.2053 8.1935 8.1942 8.9582 8.9723 10.8694 11.1939 12.5993 12.6723 k = 0.4070 0.5000 0.3948 ( 2428 PWs) bands (ev): -11.0697 -11.0534 -11.0231 -11.0191 -9.8827 -9.8824 -3.3847 -3.3743 0.6596 0.6633 1.2846 1.6603 1.7812 1.8909 2.8347 3.0849 3.3425 3.3443 3.4147 3.4162 4.8962 4.9077 4.9330 4.9395 5.4828 5.4984 6.9143 6.9402 7.0284 7.0408 7.1611 7.1930 8.1912 8.1918 8.9809 8.9933 10.8971 11.1889 12.6407 12.6978 k = 0.4186 0.5000 0.3948 ( 2428 PWs) bands (ev): -11.0627 -11.0484 -11.0181 -11.0148 -9.8811 -9.8808 -3.4018 -3.3923 0.6436 0.6468 1.3239 1.6702 1.8042 1.8992 2.7672 3.0049 3.3424 3.3446 3.4036 3.4058 4.9081 4.9182 4.9368 4.9428 5.5114 5.5236 6.9246 6.9490 7.0165 7.0274 7.1507 7.1812 8.1892 8.1897 9.0013 9.0121 10.9241 11.1820 12.6793 12.7213 k = 0.4302 0.5000 0.3948 ( 2428 PWs) bands (ev): -11.0566 -11.0444 -11.0136 -11.0109 -9.8797 -9.8795 -3.4168 -3.4084 0.6296 0.6323 1.3641 1.6723 1.8331 1.9081 2.7061 2.9277 3.3414 3.3439 3.3949 3.3976 4.9186 4.9274 4.9403 4.9456 5.5359 5.5454 6.9346 6.9572 7.0061 7.0156 7.1415 7.1701 8.1874 8.1878 9.0195 9.0286 10.9503 11.1732 12.7144 12.7428 k = 0.4419 0.5000 0.3948 ( 2432 PWs) bands (ev): -11.0513 -11.0412 -11.0095 -11.0075 -9.8785 -9.8783 -3.4296 -3.4224 0.6177 0.6200 1.4046 1.6685 1.8643 1.9176 2.6531 2.8542 3.3397 3.3421 3.3887 3.3914 4.9277 4.9352 4.9433 4.9480 5.5565 5.5636 6.9441 6.9645 6.9974 7.0054 7.1337 7.1596 8.1858 8.1861 9.0351 9.0427 10.9756 11.1626 12.7450 12.7620 k = 0.4535 0.5000 0.3948 ( 2424 PWs) bands (ev): -11.0469 -11.0389 -11.0060 -11.0046 -9.8776 -9.8774 -3.4400 -3.4342 0.6079 0.6098 1.4445 1.6598 1.8944 1.9275 2.6106 2.7852 3.3375 3.3396 3.3847 3.3871 4.9353 4.9415 4.9458 4.9499 5.5733 5.5785 6.9530 6.9705 6.9905 6.9970 7.1275 7.1500 8.1845 8.1848 9.0483 9.0543 10.9999 11.1503 12.7703 12.7788 k = 0.4651 0.5000 0.3948 ( 2432 PWs) bands (ev): -11.0432 -11.0373 -11.0032 -11.0022 -9.8768 -9.8766 -3.4481 -3.4436 0.6004 0.6017 1.4830 1.6467 1.9206 1.9374 2.5808 2.7221 3.3352 3.3369 3.3823 3.3842 4.9413 4.9463 4.9480 4.9514 5.5864 5.5900 6.9609 6.9749 6.9851 6.9902 7.1231 7.1413 8.1835 8.1837 9.0587 9.0632 11.0231 11.1364 12.7898 12.7926 k = 0.4767 0.5000 0.3948 ( 2436 PWs) bands (ev): -11.0404 -11.0365 -11.0011 -11.0005 -9.8762 -9.8761 -3.4536 -3.4506 0.5950 0.5959 1.5193 1.6295 1.9401 1.9463 2.5663 2.6666 3.3332 3.3344 3.3811 3.3824 4.9457 4.9490 4.9501 4.9523 5.5958 5.5980 6.9679 6.9775 6.9813 6.9850 7.1209 7.1337 8.1828 8.1829 9.0664 9.0694 11.0452 11.1210 12.8032 12.8033 k = 0.4884 0.5000 0.3948 ( 2432 PWs) bands (ev): -11.0383 -11.0363 -10.9998 -10.9995 -9.8759 -9.8758 -3.4567 -3.4551 0.5919 0.5923 1.5527 1.6080 1.9518 1.9531 2.5685 2.6208 3.3321 3.3327 3.3806 3.3813 4.9486 4.9500 4.9520 4.9529 5.6016 5.6026 6.9736 6.9783 6.9792 6.9813 7.1210 7.1277 8.1823 8.1824 9.0714 9.0729 11.0661 11.1041 12.8102 12.8108 k = 0.5000 0.5000 0.3948 ( 2432 PWs) bands (ev): -11.0369 -11.0369 -10.9993 -10.9993 -9.8757 -9.8757 -3.4572 -3.4572 0.5910 0.5910 1.5824 1.5824 1.9556 1.9556 2.5872 2.5872 3.3319 3.3319 3.3807 3.3807 4.9499 4.9499 4.9529 4.9529 5.6038 5.6038 6.9779 6.9779 6.9785 6.9785 7.1233 7.1233 8.1822 8.1822 9.0735 9.0735 11.0858 11.0858 12.8130 12.8130 k = 0.5000 0.5000 0.3948 ( 2432 PWs) bands (ev): -11.0369 -11.0369 -10.9993 -10.9993 -9.8757 -9.8757 -3.4572 -3.4572 0.5910 0.5910 1.5824 1.5824 1.9556 1.9556 2.5872 2.5872 3.3319 3.3319 3.3807 3.3807 4.9499 4.9499 4.9529 4.9529 5.6038 5.6038 6.9779 6.9779 6.9785 6.9785 7.1233 7.1233 8.1822 8.1822 9.0735 9.0735 11.0858 11.0858 12.8130 12.8130 k = 0.4917 0.4917 0.3948 ( 2432 PWs) bands (ev): -11.0383 -11.0363 -10.9998 -10.9995 -9.8759 -9.8758 -3.4566 -3.4551 0.5919 0.5924 1.5522 1.6084 1.9522 1.9524 2.5684 2.6212 3.3321 3.3327 3.3806 3.3813 4.9486 4.9500 4.9521 4.9528 5.6015 5.6026 6.9739 6.9780 6.9790 6.9815 7.1210 7.1278 8.1824 8.1824 9.0713 9.0728 11.0658 11.1043 12.8098 12.8111 k = 0.4833 0.4833 0.3948 ( 2434 PWs) bands (ev): -11.0408 -11.0367 -11.0007 -11.0004 -9.8762 -9.8761 -3.4535 -3.4505 0.5951 0.5960 1.5182 1.6302 1.9405 1.9455 2.5667 2.6674 3.3334 3.3347 3.3810 3.3823 4.9456 4.9490 4.9508 4.9516 5.5956 5.5978 6.9694 6.9773 6.9800 6.9849 7.1209 7.1341 8.1828 8.1829 9.0663 9.0693 11.0444 11.1215 12.8001 12.8058 k = 0.4750 0.4750 0.3948 ( 2426 PWs) bands (ev): -11.0450 -11.0385 -11.0015 -11.0013 -9.8768 -9.8767 -3.4478 -3.4432 0.6006 0.6020 1.4808 1.6479 1.9204 1.9371 2.5821 2.7225 3.3357 3.3382 3.3819 3.3838 4.9412 4.9469 4.9490 4.9494 5.5863 5.5895 6.9647 6.9761 6.9815 6.9886 7.1232 7.1421 8.1836 8.1837 9.0584 9.0629 11.0215 11.1374 12.7827 12.7985 k = 0.4667 0.4667 0.3948 ( 2424 PWs) bands (ev): -11.0515 -11.0427 -11.0014 -11.0013 -9.8776 -9.8774 -3.4395 -3.4336 0.6084 0.6102 1.4408 1.6613 1.8939 1.9290 2.6125 2.7836 3.3394 3.3436 3.3834 3.3859 4.9353 4.9434 4.9465 4.9465 5.5734 5.5778 6.9596 6.9739 6.9837 6.9925 7.1278 7.1515 8.1847 8.1847 9.0479 9.0540 10.9969 11.1517 12.7572 12.7902 k = 0.4583 0.4583 0.3948 ( 2424 PWs) bands (ev): -11.0609 -11.0499 -10.9998 -10.9998 -9.8787 -9.8784 -3.4288 -3.4215 0.6185 0.6205 1.3992 1.6697 1.8646 1.9220 2.6547 2.8481 3.3445 3.3515 3.3854 3.3883 4.9279 4.9382 4.9431 4.9434 5.5572 5.5627 6.9542 6.9708 6.9866 6.9971 7.1345 7.1623 8.1859 8.1860 9.0349 9.0424 10.9704 11.1644 12.7238 12.7820 k = 0.4500 0.4500 0.3948 ( 2420 PWs) bands (ev): -11.0730 -11.0603 -10.9969 -10.9966 -9.8799 -9.8796 -3.4157 -3.4071 0.6307 0.6330 1.3569 1.6715 1.8367 1.9167 2.7053 2.9134 3.3516 3.3634 3.3881 3.3912 4.9193 4.9315 4.9391 4.9396 5.5377 5.5444 6.9488 6.9669 6.9902 7.0023 7.1432 7.1743 8.1873 8.1877 9.0195 9.0286 10.9420 11.1754 12.6838 12.7744 k = 0.4417 0.4417 0.3948 ( 2416 PWs) bands (ev): -11.0879 -11.0736 -10.9926 -10.9918 -9.8814 -9.8811 -3.4003 -3.3905 0.6451 0.6474 1.3148 1.6642 1.8153 1.9130 2.7613 2.9767 3.3610 3.3807 3.3918 3.3946 4.9095 4.9235 4.9344 4.9350 5.5151 5.5230 6.9435 6.9624 6.9946 7.0082 7.1537 7.1874 8.1888 8.1897 9.0019 9.0126 10.9115 11.1843 12.6384 12.7682 k = 0.4333 0.4333 0.3948 ( 2420 PWs) bands (ev): -11.1051 -11.0894 -10.9870 -10.9858 -9.8832 -9.8828 -3.3827 -3.3719 0.6615 0.6637 1.2739 1.6465 1.8033 1.9109 2.8197 3.0346 3.3726 3.3974 3.3982 3.4062 4.8985 4.9142 4.9290 4.9298 5.4896 5.4987 6.9380 6.9574 6.9997 7.0148 7.1658 7.2014 8.1904 8.1918 8.9824 8.9947 10.8789 11.1909 12.5889 12.7635 k = 0.4250 0.4250 0.3948 ( 2422 PWs) bands (ev): -11.1247 -11.1076 -10.9804 -10.9787 -9.8852 -9.8847 -3.3631 -3.3513 0.6798 0.6816 1.2351 1.6209 1.7998 1.9103 2.8779 3.0842 3.3844 3.4025 3.4083 3.4418 4.8865 4.9037 4.9228 4.9237 5.4614 5.4717 6.9326 6.9519 7.0055 7.0221 7.1794 7.2165 8.1919 8.1942 8.9613 8.9752 10.8441 11.1949 12.5366 12.7608 k = 0.4167 0.4167 0.3948 ( 2422 PWs) bands (ev): -11.1463 -11.1279 -10.9728 -10.9706 -9.8874 -9.8868 -3.3416 -3.3289 0.7000 0.7006 1.1991 1.5914 1.8019 1.9110 2.9331 3.1232 3.3931 3.4071 3.4293 3.4895 4.8735 4.8921 4.9158 4.9168 5.4306 5.4422 6.9272 6.9462 7.0121 7.0302 7.1943 7.2326 8.1934 8.1968 8.9387 8.9542 10.8072 11.1961 12.4822 12.7602 k = 0.4083 0.4083 0.3948 ( 2422 PWs) bands (ev): -11.1698 -11.1502 -10.9642 -10.9615 -9.8898 -9.8892 -3.3182 -3.3050 0.7205 0.7218 1.1669 1.5614 1.8070 1.9128 2.9829 3.1518 3.3994 3.4122 3.4610 3.5485 4.8597 4.8795 4.9078 4.9091 5.3976 5.4105 6.9218 6.9403 7.0194 7.0389 7.2107 7.2496 8.1948 8.1995 8.9150 8.9321 10.7683 11.1944 12.4265 12.7616 k = 0.4000 0.4000 0.3948 ( 2422 PWs) bands (ev): -11.1952 -11.1744 -10.9547 -10.9516 -9.8925 -9.8918 -3.2933 -3.2795 0.7403 0.7450 1.1397 1.5330 1.8138 1.9155 3.0255 3.1717 3.4050 3.4176 3.5029 3.6165 4.8452 4.8660 4.8990 4.9005 5.3626 5.3768 6.9164 6.9341 7.0274 7.0482 7.2283 7.2676 8.1960 8.2024 8.8903 8.9089 10.7275 11.1895 12.3699 12.7651 k = 0.3917 0.3917 0.3948 ( 2422 PWs) bands (ev): -11.2221 -11.2003 -10.9444 -10.9408 -9.8954 -9.8946 -3.2670 -3.2528 0.7591 0.7693 1.1186 1.5075 1.8214 1.9191 3.0602 3.1855 3.4107 3.4234 3.5541 3.6908 4.8303 4.8518 4.8891 4.8910 5.3261 5.3416 6.9110 6.9279 7.0361 7.0583 7.2471 7.2865 8.1968 8.2053 8.8649 8.8851 10.6851 11.1813 12.3126 12.7707 k = 0.3833 0.3833 0.3948 ( 2426 PWs) bands (ev): -11.2506 -11.2278 -10.9333 -10.9293 -9.8985 -9.8976 -3.2394 -3.2250 0.7756 0.7943 1.1052 1.4861 1.8294 1.9232 3.0873 3.1949 3.4165 3.4296 3.6134 3.7689 4.8150 4.8370 4.8781 4.8805 5.2882 5.3050 6.9055 6.9215 7.0455 7.0689 7.2672 7.3062 8.1973 8.2082 8.8390 8.8606 10.6412 11.1700 12.2549 12.7780 k = 0.3750 0.3750 0.3948 ( 2430 PWs) bands (ev): -11.2804 -11.2568 -10.9214 -10.9170 -9.9019 -9.9009 -3.2107 -3.1962 0.7885 0.8196 1.1010 1.4695 1.8376 1.9277 3.1080 3.2014 3.4226 3.4360 3.6790 3.8489 4.7996 4.8219 4.8659 4.8689 5.2495 5.2676 6.8998 6.9150 7.0557 7.0802 7.2883 7.3267 8.1973 8.2113 8.8127 8.8357 10.5962 11.1555 12.1967 12.7871 k = 0.3667 0.3667 0.3948 ( 2420 PWs) bands (ev): -11.3115 -11.2870 -10.9088 -10.9040 -9.9055 -9.9044 -3.1811 -3.1666 0.7968 0.8447 1.1071 1.4587 1.8457 1.9326 3.1236 3.2059 3.4289 3.4428 3.7488 3.9296 4.7846 4.8066 4.8525 4.8563 5.2103 5.2298 6.8941 6.9084 7.0665 7.0921 7.3107 7.3480 8.1969 8.2144 8.7864 8.8107 10.5504 11.1382 12.1381 12.7976 k = 0.3583 0.3583 0.3948 ( 2420 PWs) bands (ev): -11.3436 -11.3184 -10.8955 -10.8904 -9.9093 -9.9081 -3.1507 -3.1364 0.8004 0.8690 1.1234 1.4542 1.8536 1.9376 3.1355 3.2091 3.4356 3.4499 3.8207 4.0095 4.7701 4.7916 4.8376 4.8425 5.1712 5.1918 6.8880 6.9017 7.0779 7.1046 7.3340 7.3700 8.1958 8.2176 8.7601 8.7856 10.5042 11.1182 12.0789 12.8094 k = 0.3500 0.3500 0.3948 ( 2416 PWs) bands (ev): -11.3767 -11.3509 -10.8815 -10.8760 -9.9134 -9.9120 -3.1197 -3.1057 0.8004 0.8919 1.1492 1.4568 1.8610 1.9426 3.1446 3.2113 3.4424 3.4571 3.8929 4.0876 4.7566 4.7772 4.8212 4.8276 5.1325 5.1542 6.8818 6.8949 7.0900 7.1176 7.3583 7.3924 8.1941 8.2208 8.7339 8.7604 10.4578 11.0960 12.0191 12.8220 k = 0.3417 0.3417 0.3948 ( 2414 PWs) bands (ev): -11.4107 -11.3844 -10.8668 -10.8611 -9.9176 -9.9161 -3.0883 -3.0747 0.7982 0.9130 1.1829 1.4670 1.8679 1.9474 3.1517 3.2130 3.4495 3.4645 3.9635 4.1628 4.7448 4.7642 4.8031 4.8116 5.0949 5.1175 6.8752 6.8879 7.1027 7.1311 7.3833 7.4151 8.1917 8.2243 8.7080 8.7355 10.4116 11.0720 11.9586 12.8339 k = 0.3333 0.3333 0.3948 ( 2414 PWs) bands (ev): -11.4454 -11.4186 -10.8516 -10.8456 -9.9221 -9.9205 -3.0566 -3.0436 0.7952 0.9320 1.2231 1.4851 1.8741 1.9521 3.1574 3.2142 3.4566 3.4719 4.0308 4.2335 4.7352 4.7535 4.7833 4.7949 5.0586 5.0820 6.8682 6.8808 7.1159 7.1451 7.4089 7.4379 8.1887 8.2279 8.6825 8.7107 10.3660 11.0465 11.8975 12.8014 k = 0.3250 0.3250 0.3948 ( 2410 PWs) bands (ev): -11.4807 -11.4535 -10.8358 -10.8295 -9.9267 -9.9250 -3.0247 -3.0123 0.7924 0.9487 1.2688 1.5110 1.8795 1.9563 3.1622 3.2152 3.4639 3.4794 4.0929 4.2981 4.7281 4.7464 4.7620 4.7785 5.0242 5.0481 6.8608 6.8735 7.1297 7.1595 7.4347 7.4604 8.1853 8.2320 8.6575 8.6863 10.3212 11.0199 11.8360 12.7291 k = 0.3167 0.3167 0.3948 ( 2418 PWs) bands (ev): -11.5164 -11.4890 -10.8195 -10.8129 -9.9316 -9.9297 -2.9928 -2.9812 0.7905 0.9634 1.3189 1.5445 1.8839 1.9601 3.1662 3.2160 3.4712 3.4868 4.1478 4.3540 4.7218 4.7370 4.7473 4.7653 4.9919 5.0161 6.8529 6.8660 7.1440 7.1743 7.4605 7.4825 8.1812 8.2363 8.6331 8.6622 10.2777 10.9925 11.7745 12.6539 k = 0.3083 0.3083 0.3948 ( 2418 PWs) bands (ev): -11.5526 -11.5250 -10.8027 -10.7959 -9.9366 -9.9347 -2.9610 -2.9502 0.7900 0.9765 1.3728 1.5852 1.8872 1.9634 3.1699 3.2167 3.4785 3.4941 4.1934 4.3984 4.7116 4.7135 4.7541 4.7620 4.9617 4.9863 6.8445 6.8583 7.1588 7.1895 7.4858 7.5037 8.1769 8.2413 8.6093 8.6385 10.2357 10.9645 11.7133 12.5778 k = 0.3000 0.3000 0.3948 ( 2410 PWs) bands (ev): -11.5889 -11.5612 -10.7854 -10.7784 -9.9419 -9.9397 -2.9294 -2.9194 0.7913 0.9883 1.4299 1.6324 1.8894 1.9661 3.1733 3.2175 3.4857 3.5013 4.2285 4.4290 4.6884 4.6950 4.7721 4.7722 4.9339 4.9590 6.8356 6.8505 7.1742 7.2051 7.5103 7.5238 8.1727 8.2470 8.5863 8.6153 10.1954 10.9357 11.6535 12.5014 k = 0.2917 0.2917 0.3948 ( 2414 PWs) bands (ev): -11.6254 -11.5977 -10.7678 -10.7606 -9.9472 -9.9450 -2.8980 -2.8889 0.7944 0.9993 1.4897 1.6855 1.8901 1.9685 3.1766 3.2184 3.4927 3.5081 4.2524 4.4457 4.6631 4.6752 4.7924 4.8003 4.9083 4.9349 6.8259 6.8424 7.1899 7.2210 7.5331 7.5424 8.1687 8.2535 8.5641 8.5925 10.1571 10.9059 11.5958 12.4253 k = 0.2833 0.2833 0.3948 ( 2414 PWs) bands (ev): -11.6619 -11.6342 -10.7497 -10.7424 -9.9528 -9.9504 -2.8670 -2.8589 0.7994 1.0100 1.5515 1.7440 1.8894 1.9708 3.1799 3.2194 3.4994 3.5145 4.2660 4.4507 4.6381 4.6544 4.8176 4.8347 4.8866 4.9161 6.8156 6.8340 7.2061 7.2371 7.5539 7.5591 8.1654 8.2610 8.5427 8.5703 10.1208 10.8743 11.5417 12.3503 k = 0.2750 0.2750 0.3948 ( 2406 PWs) bands (ev): -11.6984 -11.6708 -10.7314 -10.7239 -9.9584 -9.9559 -2.8364 -2.8292 0.8064 1.0206 1.6143 1.8071 1.8871 1.9737 3.1834 3.2205 3.5058 3.5205 4.2708 4.4474 4.6141 4.6340 4.8361 4.8501 4.8899 4.9117 6.8046 6.8255 7.2228 7.2534 7.5719 7.5738 8.1632 8.2694 8.5223 8.5487 10.0866 10.8402 11.4927 12.2769 k = 0.2667 0.2667 0.3948 ( 2402 PWs) bands (ev): -11.7347 -11.7073 -10.7128 -10.7052 -9.9642 -9.9616 -2.8062 -2.8000 0.8151 1.0314 1.6764 1.8744 1.8833 1.9786 3.1869 3.2217 3.5119 3.5260 4.2689 4.4387 4.5918 4.6146 4.8329 4.8338 4.9287 4.9329 6.7927 6.8165 7.2398 7.2698 7.5862 7.5867 8.1625 8.2787 8.5027 8.5276 10.0543 10.8024 11.4505 12.2060 k = 0.2583 0.2583 0.3948 ( 2402 PWs) bands (ev): -11.7707 -11.7435 -10.6940 -10.6863 -9.9701 -9.9674 -2.7766 -2.7713 0.8256 1.0425 1.7347 1.8772 1.9459 1.9883 3.1907 3.2232 3.5175 3.5309 4.2622 4.4265 4.5716 4.5967 4.8124 4.8189 4.9695 4.9713 6.7800 6.8072 7.2571 7.2862 7.5963 7.5975 8.1636 8.2888 8.4840 8.5071 10.0240 10.7596 11.4169 12.1381 k = 0.2500 0.2500 0.3948 ( 2404 PWs) bands (ev): -11.8063 -11.7795 -10.6750 -10.6672 -9.9760 -9.9732 -2.7475 -2.7432 0.8377 1.0541 1.7838 1.8696 2.0082 2.0206 3.1947 3.2247 3.5227 3.5353 4.2522 4.4124 4.5539 4.5808 4.7920 4.8004 5.0103 5.0128 6.7663 6.7973 7.2748 7.3026 7.6041 7.6044 8.1665 8.2994 8.4664 8.4873 9.9952 10.7109 11.3932 12.0741 k = 0.2417 0.2417 0.3948 ( 2400 PWs) bands (ev): -11.8415 -11.8151 -10.6559 -10.6481 -9.9821 -9.9792 -2.7190 -2.7156 0.8513 1.0662 1.8172 1.8601 2.0444 2.0984 3.1988 3.2264 3.5274 3.5392 4.2403 4.3973 4.5388 4.5671 4.7718 4.7811 5.0514 5.0518 6.7517 6.7870 7.2928 7.3187 7.6075 7.6101 8.1712 8.3102 8.4499 8.4683 9.9676 10.6561 11.3801 12.0146 k = 0.2333 0.2333 0.3948 ( 2404 PWs) bands (ev): -11.8762 -11.8502 -10.6367 -10.6289 -9.9882 -9.9852 -2.6911 -2.6886 0.8662 1.0788 1.8331 1.8488 2.0986 2.1790 3.2032 3.2281 3.5317 3.5425 4.2272 4.3818 4.5267 4.5558 4.7518 4.7614 5.0877 5.0910 6.7362 6.7760 7.3110 7.3343 7.6072 7.6142 8.1771 8.3205 8.4345 8.4503 9.9408 10.5951 11.3777 11.9605 k = 0.2250 0.2250 0.3948 ( 2408 PWs) bands (ev): -11.9103 -11.8848 -10.6175 -10.6097 -9.9943 -9.9913 -2.6638 -2.6622 0.8823 1.0919 1.8357 1.8359 2.1663 2.2621 3.2076 3.2299 3.5356 3.5454 4.2139 4.3665 4.5176 4.5471 4.7321 4.7418 5.1200 5.1281 6.7197 6.7643 7.3294 7.3494 7.6042 7.6170 8.1836 8.3296 8.4205 8.4337 9.9141 10.5288 11.3854 11.9125 k = 0.2167 0.2167 0.3948 ( 2408 PWs) bands (ev): -11.9437 -11.9187 -10.5983 -10.5905 -10.0005 -9.9974 -2.6371 -2.6364 0.8994 1.1053 1.8208 1.8305 2.2426 2.3474 3.2120 3.2316 3.5392 3.5480 4.2008 4.3517 4.5114 4.5409 4.7125 4.7222 5.1482 5.1621 6.7022 6.7517 7.3481 7.3635 7.5995 7.6189 8.1900 8.3362 8.4081 8.4194 9.8870 10.4578 11.4025 11.8713 k = 0.2083 0.2083 0.3948 ( 2408 PWs) bands (ev): -11.9764 -11.9520 -10.5793 -10.5715 -10.0066 -10.0035 -2.6111 -2.6111 0.9174 1.1191 1.8042 1.8198 2.3244 2.4346 3.2164 3.2332 3.5425 3.5503 4.1883 4.3377 4.5082 4.5374 4.6931 4.7027 5.1723 5.1923 6.6840 6.7383 7.3671 7.3763 7.5944 7.6203 8.1953 8.3385 8.3972 8.4087 9.8589 10.3832 11.4278 11.8375 k = 0.2000 0.2000 0.3948 ( 2410 PWs) bands (ev): -12.0082 -11.9845 -10.5603 -10.5527 -10.0127 -10.0096 -2.5865 -2.5857 0.9360 1.1332 1.7860 1.8056 2.4099 2.5235 3.2206 3.2345 3.5457 3.5526 4.1770 4.3248 4.5076 4.5363 4.6738 4.6833 5.1919 5.2185 6.6650 6.7238 7.3861 7.3874 7.5901 7.6216 8.1988 8.3348 8.3881 8.4030 9.8293 10.3060 11.4603 11.8115 k = 0.1917 0.1917 0.3948 ( 2410 PWs) bands (ev): -12.0391 -12.0161 -10.5416 -10.5340 -10.0188 -10.0156 -2.5624 -2.5610 0.9553 1.1473 1.7665 1.7887 2.4983 2.6137 3.2245 3.2357 3.5489 3.5548 4.1670 4.3131 4.5097 4.5376 4.6547 4.6640 5.2070 5.2405 6.6454 6.7083 7.3964 7.4053 7.5877 7.6232 8.2000 8.3255 8.3806 8.4015 9.7978 10.2271 11.4989 11.7935 k = 0.1833 0.1833 0.3948 ( 2410 PWs) bands (ev): -12.0692 -12.0469 -10.5231 -10.5157 -10.0248 -10.0216 -2.5390 -2.5370 0.9749 1.1615 1.7458 1.7698 2.5888 2.7050 3.2281 3.2364 3.5521 3.5572 4.1587 4.3029 4.5140 4.5410 4.6357 4.6450 5.2175 5.2579 6.6254 6.6917 7.4031 7.4246 7.5882 7.6255 8.1986 8.3125 8.3745 8.4018 9.7642 10.1472 11.5424 11.7837 k = 0.1750 0.1750 0.3948 ( 2408 PWs) bands (ev): -12.0982 -12.0767 -10.5050 -10.4977 -10.0307 -10.0275 -2.5163 -2.5137 0.9948 1.1757 1.7241 1.7494 2.6810 2.7971 3.2310 3.2367 3.5555 3.5598 4.1524 4.2944 4.5203 4.5462 4.6170 4.6264 5.2235 5.2708 6.6051 6.6740 7.4075 7.4440 7.5921 7.6287 8.1946 8.2976 8.3692 8.4020 9.7283 10.0670 11.5898 11.7816 k = 0.1667 0.1667 0.3948 ( 2408 PWs) bands (ev): -12.1262 -12.1054 -10.4872 -10.4800 -10.0365 -10.0334 -2.4942 -2.4911 1.0147 1.1896 1.7016 1.7279 2.7745 2.8896 3.2334 3.2364 3.5591 3.5627 4.1482 4.2876 4.5283 4.5526 4.5986 4.6085 5.2247 5.2789 6.5848 6.6552 7.4102 7.4635 7.5993 7.6330 8.1883 8.2816 8.3641 8.4008 9.6904 9.9874 11.6399 11.7870 k = 0.1583 0.1583 0.3948 ( 2408 PWs) bands (ev): -12.1530 -12.1332 -10.4698 -10.4629 -10.0422 -10.0391 -2.4728 -2.4693 1.0346 1.2033 1.6786 1.7056 2.8690 2.9821 3.2349 3.2355 3.5631 3.5660 4.1464 4.2827 4.5373 4.5585 4.5810 4.5929 5.2215 5.2823 6.5646 6.6355 7.4119 7.4829 7.6095 7.6386 8.1801 8.2650 8.3585 8.3974 9.6507 9.9090 11.6919 11.7991 k = 0.1500 0.1500 0.3948 ( 2404 PWs) bands (ev): -12.1788 -12.1598 -10.4529 -10.4462 -10.0477 -10.0446 -2.4521 -2.4483 1.0543 1.2165 1.6554 1.6828 2.9642 3.0742 3.2339 3.2359 3.5673 3.5697 4.1471 4.2797 4.5447 4.5572 4.5663 4.5861 5.2138 5.2809 6.5448 6.6151 7.4133 7.5023 7.6221 7.6455 8.1705 8.2479 8.3519 8.3914 9.6097 9.8325 11.7447 11.8171 k = 0.1417 0.1417 0.3948 ( 2400 PWs) bands (ev): -12.2033 -12.1852 -10.4366 -10.4301 -10.0531 -10.0501 -2.4321 -2.4280 1.0737 1.2291 1.6323 1.6600 3.0596 3.1643 3.2316 3.2372 3.5719 3.5739 4.1505 4.2787 4.5389 4.5446 4.5661 4.5919 5.2019 5.2749 6.5256 6.5942 7.4151 7.5216 7.6365 7.6537 8.1596 8.2305 8.3436 8.3825 9.5681 9.7585 11.7974 11.8400 k = 0.1333 0.1333 0.3948 ( 2396 PWs) bands (ev): -12.2266 -12.2094 -10.4208 -10.4146 -10.0582 -10.0553 -2.4129 -2.4087 1.0925 1.2409 1.6096 1.6373 3.1548 3.2248 3.2290 3.2663 3.5769 3.5785 4.1566 4.2798 4.5235 4.5284 4.5764 4.6025 5.1860 5.2644 6.5070 6.5728 7.4177 7.5408 7.6523 7.6633 8.1480 8.2127 8.3334 8.3706 9.5264 9.6876 11.8492 11.8668 k = 0.1250 0.1250 0.3948 ( 2404 PWs) bands (ev): -12.2487 -12.2324 -10.4057 -10.3997 -10.0632 -10.0603 -2.3946 -2.3902 1.1107 1.2518 1.5875 1.6150 3.2219 3.2271 3.2533 3.3511 3.5822 3.5836 4.1655 4.2827 4.5072 4.5116 4.5884 4.6145 5.1664 5.2495 6.4892 6.5514 7.4213 7.5597 7.6691 7.6740 8.1356 8.1943 8.3209 8.3553 9.4853 9.6205 11.8966 11.8993 k = 0.1167 0.1167 0.3948 ( 2404 PWs) bands (ev): -12.2694 -12.2542 -10.3912 -10.3856 -10.0679 -10.0652 -2.3771 -2.3727 1.1281 1.2616 1.5665 1.5936 3.2191 3.2242 3.3463 3.4384 3.5880 3.5892 4.1771 4.2876 4.4912 4.4950 4.6006 4.6272 5.1435 5.2304 6.4723 6.5300 7.4262 7.5784 7.6859 7.6865 8.1228 8.1755 8.3062 8.3370 9.4455 9.5576 11.9283 11.9471 k = 0.1083 0.1083 0.3948 ( 2408 PWs) bands (ev): -12.2888 -12.2746 -10.3776 -10.3722 -10.0724 -10.0698 -2.3606 -2.3561 1.1446 1.2700 1.5469 1.5733 3.2141 3.2198 3.4394 3.5235 3.5946 3.5956 4.1913 4.2941 4.4757 4.4787 4.6125 4.6401 5.1177 5.2075 6.4562 6.5090 7.4323 7.5966 7.6986 7.7044 8.1097 8.1560 8.2892 8.3157 9.4075 9.4995 11.9611 11.9919 k = 0.1000 0.1000 0.3948 ( 2408 PWs) bands (ev): -12.3069 -12.2936 -10.3646 -10.3596 -10.0766 -10.0741 -2.3450 -2.3406 1.1599 1.2769 1.5291 1.5543 3.2084 3.2145 3.5294 3.5917 3.6044 3.6161 4.2080 4.3021 4.4610 4.4630 4.6237 4.6529 5.0896 5.1809 6.4412 6.4886 7.4397 7.6142 7.7123 7.7226 8.0965 8.1357 8.2701 8.2919 9.3718 9.4464 11.9940 12.0335 k = 0.0917 0.0917 0.3948 ( 2412 PWs) bands (ev): -12.3235 -12.3113 -10.3526 -10.3479 -10.0805 -10.0782 -2.3304 -2.3261 1.1740 1.2819 1.5134 1.5369 3.2024 3.2085 3.5928 3.6031 3.6384 3.6916 4.2267 4.3111 4.4473 4.4481 4.6338 4.6653 5.0597 5.1510 6.4271 6.4688 7.4483 7.6311 7.7264 7.7408 8.0833 8.1145 8.2491 8.2663 9.3388 9.3985 12.0265 12.0715 k = 0.0833 0.0833 0.3948 ( 2408 PWs) bands (ev): -12.3387 -12.3276 -10.3414 -10.3370 -10.0841 -10.0820 -2.3168 -2.3127 1.1867 1.2849 1.5000 1.5213 3.1960 3.2020 3.6066 3.6096 3.7200 3.7690 4.2472 4.3208 4.4339 4.4349 4.6424 4.6771 5.0286 5.1183 6.4140 6.4501 7.4580 7.6470 7.7410 7.7590 8.0702 8.0923 8.2267 8.2395 9.3087 9.3560 12.0578 12.1056 k = 0.0750 0.0750 0.3948 ( 2406 PWs) bands (ev): -12.3525 -12.3425 -10.3311 -10.3271 -10.0874 -10.0855 -2.3043 -2.3005 1.1979 1.2859 1.4891 1.5077 3.1896 3.1953 3.6139 3.6156 3.8059 3.8432 4.2690 4.3305 4.4207 4.4241 4.6490 4.6881 4.9973 5.0831 6.4018 6.4323 7.4688 7.6615 7.7558 7.7769 8.0573 8.0693 8.2032 8.2124 9.2816 9.3187 12.0875 12.1359 k = 0.0667 0.0667 0.3948 ( 2402 PWs) bands (ev): -12.3649 -12.3559 -10.3217 -10.3182 -10.0904 -10.0886 -2.2930 -2.2894 1.2076 1.2849 1.4807 1.4962 3.1833 3.1885 3.6200 3.6212 3.8898 3.9138 4.2914 4.3392 4.4085 4.4156 4.6532 4.6978 4.9664 5.0459 6.3907 6.4158 7.4808 7.6740 7.7705 7.7943 8.0449 8.0461 8.1790 8.1859 9.2578 9.2865 12.1153 12.1622 k = 0.0583 0.0583 0.3948 ( 2398 PWs) bands (ev): -12.3757 -12.3678 -10.3134 -10.3103 -10.0930 -10.0915 -2.2828 -2.2796 1.2158 1.2822 1.4746 1.4868 3.1772 3.1819 3.6255 3.6265 3.9707 3.9804 4.3137 4.3459 4.3976 4.4099 4.6545 4.7060 4.9371 5.0075 6.3805 6.4007 7.4939 7.6837 7.7848 7.8109 8.0236 8.0333 8.1546 8.1605 9.2370 9.2590 12.1407 12.1846 k = 0.0500 0.0500 0.3948 ( 2404 PWs) bands (ev): -12.3851 -12.3783 -10.3060 -10.3034 -10.0953 -10.0940 -2.2739 -2.2711 1.2226 1.2782 1.4704 1.4794 3.1716 3.1756 3.6305 3.6312 4.0428 4.0476 4.3351 4.3494 4.3880 4.4076 4.6526 4.7122 4.9103 4.9685 6.3713 6.3871 7.5082 7.6897 7.7985 7.8264 8.0035 8.0226 8.1304 8.1366 9.2194 9.2360 12.1636 12.2033 k = 0.0417 0.0417 0.3948 ( 2404 PWs) bands (ev): -12.3929 -12.3873 -10.2998 -10.2975 -10.0973 -10.0961 -2.2663 -2.2638 1.2282 1.2733 1.4676 1.4739 3.1665 3.1700 3.6349 3.6355 4.1008 4.1194 4.3499 4.3546 4.3800 4.4078 4.6478 4.7155 4.8872 4.9306 6.3634 6.3752 7.5238 7.6907 7.8114 7.8401 7.9877 8.0137 8.1069 8.1144 9.2048 9.2171 12.1837 12.2182 k = 0.0333 0.0333 0.3948 ( 2404 PWs) bands (ev): -12.3993 -12.3947 -10.2945 -10.2927 -10.0988 -10.0979 -2.2599 -2.2579 1.2329 1.2680 1.4660 1.4700 3.1623 3.1650 3.6386 3.6391 4.1539 4.1845 4.3487 4.3710 4.3739 4.4085 4.6410 4.7144 4.8683 4.8957 6.3567 6.3652 7.5407 7.6860 7.8233 7.8513 7.9778 8.0070 8.0845 8.0938 9.1931 9.2020 12.2011 12.2295 k = 0.0250 0.0250 0.3948 ( 2400 PWs) bands (ev): -12.4041 -12.4007 -10.2904 -10.2890 -10.1000 -10.0994 -2.2548 -2.2533 1.2369 1.2627 1.4651 1.4674 3.1589 3.1610 3.6416 3.6420 4.2014 4.2402 4.3480 4.3697 4.3836 4.4072 4.6348 4.7071 4.8537 4.8670 6.3514 6.3572 7.5591 7.6754 7.8343 7.8593 7.9747 8.0031 8.0638 8.0751 9.1843 9.1904 12.2155 12.2373 k = 0.0167 0.0167 0.3948 ( 2400 PWs) bands (ev): -12.4074 -12.4051 -10.2874 -10.2865 -10.1009 -10.1004 -2.2512 -2.2501 1.2407 1.2575 1.4646 1.4658 3.1565 3.1579 3.6439 3.6441 4.2422 4.2808 4.3515 4.3686 4.3906 4.4021 4.6326 4.6922 4.8433 4.8473 6.3477 6.3513 7.5786 7.6598 7.8441 7.8632 7.9775 8.0019 8.0462 8.0583 9.1782 9.1820 12.2269 12.2417 k = 0.0083 0.0083 0.3948 ( 2396 PWs) bands (ev): -12.4091 -12.4079 -10.2855 -10.2850 -10.1013 -10.1011 -2.2488 -2.2483 1.2445 1.2528 1.4644 1.4649 3.1552 3.1559 3.6452 3.6453 4.2739 4.2980 4.3634 4.3712 4.3909 4.3934 4.6380 4.6720 4.8368 4.8371 6.3458 6.3474 7.5993 7.6410 7.8526 7.8630 7.9849 8.0006 8.0350 8.0444 9.1749 9.1768 12.2353 12.2428 k = 0.0000 0.0000 0.3948 ( 2396 PWs) bands (ev): -12.4093 -12.4093 -10.2847 -10.2847 -10.1014 -10.1014 -2.2479 -2.2479 1.2484 1.2484 1.4645 1.4645 3.1550 3.1550 3.6457 3.6457 4.2935 4.2935 4.3744 4.3744 4.3869 4.3869 4.6520 4.6520 4.8343 4.8343 6.3456 6.3456 7.6203 7.6203 7.8592 7.8592 7.9942 7.9942 8.0351 8.0351 9.1745 9.1745 12.2406 12.2406 k = 0.0000 0.5000-0.0000 ( 2424 PWs) bands (ev): -11.4013 -11.4013 -11.2767 -11.2767 -9.8755 -9.8755 -2.6063 -2.6063 1.7253 1.7253 2.5490 2.5490 2.6208 2.6208 2.7388 2.7388 3.1035 3.1035 3.5412 3.5412 3.7414 3.7414 4.5788 4.5788 6.0411 6.0411 6.8780 6.8780 7.2404 7.2404 7.3429 7.3429 8.0409 8.0409 8.1406 8.1406 10.0088 10.0088 11.8623 11.8623 k = 0.0000 0.5000 0.0116 ( 2428 PWs) bands (ev): -11.4013 -11.4013 -11.2765 -11.2765 -9.8757 -9.8757 -2.6066 -2.6066 1.7243 1.7243 2.5488 2.5488 2.6205 2.6205 2.7387 2.7387 3.0999 3.0999 3.5459 3.5459 3.7413 3.7413 4.5793 4.5793 6.0395 6.0395 6.8778 6.8778 7.2416 7.2416 7.3438 7.3438 8.0413 8.0413 8.1404 8.1404 10.0099 10.0099 11.8619 11.8619 k = 0.0000 0.5000 0.0232 ( 2428 PWs) bands (ev): -11.4012 -11.4012 -11.2759 -11.2759 -9.8761 -9.8761 -2.6074 -2.6074 1.7212 1.7212 2.5484 2.5484 2.6198 2.6198 2.7386 2.7386 3.0898 3.0898 3.5596 3.5596 3.7411 3.7411 4.5809 4.5809 6.0348 6.0348 6.8772 6.8772 7.2449 7.2449 7.3465 7.3465 8.0426 8.0426 8.1399 8.1399 10.0130 10.0130 11.8607 11.8607 k = 0.0000 0.5000 0.0348 ( 2424 PWs) bands (ev): -11.4009 -11.4009 -11.2750 -11.2750 -9.8769 -9.8769 -2.6087 -2.6087 1.7162 1.7162 2.5477 2.5477 2.6185 2.6185 2.7384 2.7384 3.0744 3.0744 3.5810 3.5810 3.7406 3.7406 4.5836 4.5836 6.0271 6.0271 6.8762 6.8762 7.2505 7.2505 7.3509 7.3509 8.0446 8.0446 8.1392 8.1392 10.0182 10.0182 11.8588 11.8588 k = 0.0000 0.5000 0.0465 ( 2424 PWs) bands (ev): -11.4006 -11.4006 -11.2736 -11.2736 -9.8781 -9.8781 -2.6105 -2.6105 1.7092 1.7092 2.5466 2.5466 2.6168 2.6168 2.7381 2.7381 3.0550 3.0550 3.6087 3.6087 3.7400 3.7400 4.5873 4.5873 6.0165 6.0165 6.8748 6.8748 7.2582 7.2582 7.3572 7.3572 8.0472 8.0472 8.1382 8.1382 10.0254 10.0254 11.8561 11.8561 k = 0.0000 0.5000 0.0581 ( 2424 PWs) bands (ev): -11.4002 -11.4002 -11.2719 -11.2719 -9.8795 -9.8795 -2.6128 -2.6128 1.7003 1.7003 2.5452 2.5452 2.6146 2.6146 2.7376 2.7376 3.0332 3.0332 3.6411 3.6411 3.7393 3.7393 4.5919 4.5919 6.0030 6.0030 6.8730 6.8730 7.2678 7.2678 7.3651 7.3651 8.0502 8.0502 8.1374 8.1374 10.0346 10.0346 11.8529 11.8529 k = 0.0000 0.5000 0.0697 ( 2424 PWs) bands (ev): -11.3997 -11.3997 -11.2698 -11.2698 -9.8812 -9.8812 -2.6156 -2.6156 1.6897 1.6897 2.5433 2.5433 2.6119 2.6119 2.7369 2.7369 3.0100 3.0100 3.6770 3.6770 3.7387 3.7387 4.5975 4.5975 5.9870 5.9870 6.8709 6.8709 7.2792 7.2792 7.3747 7.3747 8.0533 8.0533 8.1368 8.1368 10.0455 10.0455 11.8491 11.8491 k = 0.0000 0.5000 0.0813 ( 2422 PWs) bands (ev): -11.3991 -11.3991 -11.2674 -11.2674 -9.8833 -9.8833 -2.6188 -2.6188 1.6776 1.6776 2.5411 2.5411 2.6089 2.6089 2.7359 2.7359 2.9865 2.9865 3.7135 3.7135 3.7401 3.7401 4.6041 4.6041 5.9685 5.9685 6.8684 6.8684 7.2921 7.2921 7.3859 7.3859 8.0560 8.0560 8.1368 8.1368 10.0582 10.0582 11.8449 11.8449 k = 0.0000 0.5000 0.0929 ( 2422 PWs) bands (ev): -11.3984 -11.3984 -11.2647 -11.2647 -9.8856 -9.8856 -2.6225 -2.6225 1.6640 1.6640 2.5384 2.5384 2.6055 2.6055 2.7346 2.7346 2.9634 2.9634 3.7299 3.7299 3.7634 3.7634 4.6114 4.6114 5.9478 5.9478 6.8657 6.8657 7.3065 7.3065 7.3986 7.3986 8.0579 8.0579 8.1378 8.1378 10.0725 10.0725 11.8405 11.8405 k = 0.0000 0.5000 0.1045 ( 2418 PWs) bands (ev): -11.3977 -11.3977 -11.2616 -11.2616 -9.8881 -9.8881 -2.6265 -2.6265 1.6491 1.6491 2.5351 2.5351 2.6017 2.6017 2.7329 2.7329 2.9412 2.9412 3.7298 3.7298 3.8047 3.8047 4.6196 4.6196 5.9252 5.9252 6.8627 6.8627 7.3221 7.3221 7.4128 7.4128 8.0586 8.0586 8.1400 8.1400 10.0882 10.0882 11.8359 11.8359 k = 0.0000 0.5000 0.1161 ( 2422 PWs) bands (ev): -11.3969 -11.3969 -11.2583 -11.2583 -9.8909 -9.8909 -2.6309 -2.6309 1.6331 1.6331 2.5313 2.5313 2.5976 2.5976 2.7306 2.7306 2.9204 2.9204 3.7276 3.7276 3.8489 3.8489 4.6285 4.6285 5.9007 5.9007 6.8595 6.8595 7.3387 7.3387 7.4284 7.4284 8.0579 8.0579 8.1437 8.1437 10.1051 10.1051 11.8314 11.8314 k = 0.0000 0.5000 0.1277 ( 2418 PWs) bands (ev): -11.3960 -11.3960 -11.2547 -11.2547 -9.8939 -9.8939 -2.6356 -2.6356 1.6162 1.6162 2.5269 2.5269 2.5932 2.5932 2.7277 2.7277 2.9016 2.9016 3.7248 3.7248 3.8944 3.8944 4.6380 4.6380 5.8747 5.8747 6.8560 6.8560 7.3560 7.3560 7.4453 7.4453 8.0557 8.0557 8.1488 8.1488 10.1231 10.1231 11.8270 11.8270 k = 0.0000 0.5000 0.1394 ( 2412 PWs) bands (ev): -11.3951 -11.3951 -11.2509 -11.2509 -9.8971 -9.8971 -2.6406 -2.6406 1.5985 1.5985 2.5218 2.5218 2.5886 2.5886 2.7239 2.7239 2.8849 2.8849 3.7215 3.7215 3.9407 3.9407 4.6480 4.6480 5.8473 5.8473 6.8524 6.8524 7.3739 7.3739 7.4634 7.4634 8.0521 8.0521 8.1553 8.1553 10.1420 10.1420 11.8230 11.8230 k = 0.0000 0.5000 0.1510 ( 2410 PWs) bands (ev): -11.3942 -11.3942 -11.2468 -11.2468 -9.9005 -9.9005 -2.6458 -2.6458 1.5803 1.5803 2.5161 2.5161 2.5838 2.5838 2.7193 2.7193 2.8707 2.8707 3.7177 3.7177 3.9876 3.9876 4.6586 4.6586 5.8187 5.8187 6.8487 6.8487 7.3921 7.3921 7.4826 7.4826 8.0475 8.0475 8.1627 8.1627 10.1614 10.1614 11.8194 11.8194 k = 0.0000 0.5000 0.1626 ( 2418 PWs) bands (ev): -11.3932 -11.3932 -11.2426 -11.2426 -9.9040 -9.9040 -2.6513 -2.6513 1.5616 1.5616 2.5097 2.5097 2.5789 2.5789 2.7138 2.7138 2.8589 2.8589 3.7136 3.7136 4.0348 4.0348 4.6695 4.6695 5.7889 5.7889 6.8448 6.8448 7.4103 7.4103 7.5028 7.5028 8.0418 8.0418 8.1708 8.1708 10.1813 10.1813 11.8163 11.8163 k = 0.0000 0.5000 0.1742 ( 2410 PWs) bands (ev): -11.3922 -11.3922 -11.2383 -11.2383 -9.9077 -9.9077 -2.6568 -2.6568 1.5428 1.5428 2.5027 2.5027 2.5739 2.5739 2.7076 2.7076 2.8496 2.8496 3.7091 3.7091 4.0822 4.0822 4.6807 4.6807 5.7584 5.7584 6.8408 6.8408 7.4286 7.4286 7.5239 7.5239 8.0355 8.0355 8.1796 8.1796 10.2014 10.2014 11.8140 11.8140 k = 0.0000 0.5000 0.1858 ( 2410 PWs) bands (ev): -11.3912 -11.3912 -11.2338 -11.2338 -9.9114 -9.9114 -2.6624 -2.6624 1.5239 1.5239 2.4950 2.4950 2.5689 2.5689 2.7008 2.7008 2.8425 2.8425 3.7043 3.7043 4.1296 4.1296 4.6920 4.6920 5.7271 5.7271 6.8368 6.8368 7.4464 7.4464 7.5456 7.5456 8.0286 8.0286 8.1886 8.1886 10.2215 10.2215 11.8124 11.8124 k = 0.0000 0.5000 0.1974 ( 2414 PWs) bands (ev): -11.3902 -11.3902 -11.2293 -11.2293 -9.9152 -9.9152 -2.6681 -2.6681 1.5051 1.5051 2.4869 2.4869 2.5638 2.5638 2.6937 2.6937 2.8374 2.8374 3.6993 3.6993 4.1769 4.1769 4.7035 4.7035 5.6952 5.6952 6.8327 6.8327 7.4638 7.4638 7.5678 7.5678 8.0215 8.0215 8.1977 8.1977 10.2413 10.2413 11.8116 11.8116 k = 0.0000 0.5000 0.2090 ( 2414 PWs) bands (ev): -11.3891 -11.3891 -11.2248 -11.2248 -9.9191 -9.9191 -2.6738 -2.6738 1.4865 1.4865 2.4783 2.4783 2.5588 2.5588 2.6866 2.6866 2.8338 2.8338 3.6941 3.6941 4.2239 4.2239 4.7150 4.7150 5.6628 5.6628 6.8287 6.8287 7.4806 7.4806 7.5904 7.5904 8.0141 8.0141 8.2069 8.2069 10.2606 10.2606 11.8117 11.8117 k = 0.0000 0.5000 0.2206 ( 2420 PWs) bands (ev): -11.3881 -11.3881 -11.2202 -11.2202 -9.9229 -9.9229 -2.6795 -2.6795 1.4684 1.4684 2.4695 2.4695 2.5538 2.5538 2.6796 2.6796 2.8316 2.8316 3.6888 3.6888 4.2704 4.2704 4.7264 4.7264 5.6301 5.6301 6.8245 6.8245 7.4967 7.4967 7.6130 7.6130 8.0067 8.0067 8.2159 8.2159 10.2793 10.2793 11.8126 11.8126 k = 0.0000 0.5000 0.2323 ( 2420 PWs) bands (ev): -11.3871 -11.3871 -11.2157 -11.2157 -9.9267 -9.9267 -2.6850 -2.6850 1.4509 1.4509 2.4605 2.4605 2.5490 2.5490 2.6730 2.6730 2.8303 2.8303 3.6834 3.6834 4.3164 4.3164 4.7376 4.7376 5.5972 5.5972 6.8205 6.8205 7.5120 7.5120 7.6354 7.6354 7.9994 7.9994 8.2249 8.2249 10.2972 10.2972 11.8144 11.8144 k = 0.0000 0.5000 0.2439 ( 2424 PWs) bands (ev): -11.3862 -11.3862 -11.2113 -11.2113 -9.9305 -9.9305 -2.6904 -2.6904 1.4340 1.4340 2.4516 2.4516 2.5443 2.5443 2.6668 2.6668 2.8298 2.8298 3.6781 3.6781 4.3617 4.3617 4.7485 4.7485 5.5641 5.5641 6.8166 6.8166 7.5264 7.5264 7.6574 7.6574 7.9922 7.9922 8.2336 8.2336 10.3141 10.3141 11.8169 11.8169 k = 0.0000 0.5000 0.2555 ( 2420 PWs) bands (ev): -11.3852 -11.3852 -11.2071 -11.2071 -9.9341 -9.9341 -2.6956 -2.6956 1.4179 1.4179 2.4428 2.4428 2.5398 2.5398 2.6611 2.6611 2.8298 2.8298 3.6728 3.6728 4.4061 4.4061 4.7590 4.7590 5.5311 5.5311 6.8129 6.8129 7.5400 7.5400 7.6787 7.6787 7.9854 7.9854 8.2420 8.2420 10.3300 10.3300 11.8201 11.8201 k = 0.0000 0.5000 0.2671 ( 2422 PWs) bands (ev): -11.3843 -11.3843 -11.2029 -11.2029 -9.9376 -9.9376 -2.7006 -2.7006 1.4027 1.4027 2.4343 2.4343 2.5356 2.5356 2.6558 2.6558 2.8303 2.8303 3.6677 3.6677 4.4496 4.4496 4.7691 4.7691 5.4983 5.4983 6.8093 6.8093 7.5525 7.5525 7.6990 7.6990 7.9789 7.9789 8.2501 8.2501 10.3447 10.3447 11.8238 11.8238 k = 0.0000 0.5000 0.2787 ( 2426 PWs) bands (ev): -11.3835 -11.3835 -11.1990 -11.1990 -9.9409 -9.9409 -2.7053 -2.7053 1.3885 1.3885 2.4262 2.4262 2.5316 2.5316 2.6511 2.6511 2.8310 2.8310 3.6628 3.6628 4.4918 4.4918 4.7786 4.7786 5.4658 5.4658 6.8059 6.8059 7.5640 7.5640 7.7180 7.7180 7.9729 7.9729 8.2577 8.2577 10.3581 10.3581 11.8280 11.8280 k = 0.0000 0.5000 0.2903 ( 2430 PWs) bands (ev): -11.3827 -11.3827 -11.1954 -11.1954 -9.9441 -9.9441 -2.7097 -2.7097 1.3754 1.3754 2.4186 2.4186 2.5279 2.5279 2.6468 2.6468 2.8319 2.8319 3.6581 3.6581 4.5327 4.5327 4.7875 4.7875 5.4339 5.4339 6.8027 6.8027 7.5746 7.5746 7.7356 7.7356 7.9675 7.9675 8.2648 8.2648 10.3703 10.3703 11.8324 11.8324 k = 0.0000 0.5000 0.3019 ( 2426 PWs) bands (ev): -11.3820 -11.3820 -11.1920 -11.1920 -9.9470 -9.9470 -2.7137 -2.7137 1.3634 1.3634 2.4116 2.4116 2.5246 2.5246 2.6431 2.6431 2.8329 2.8329 3.6538 3.6538 4.5719 4.5719 4.7957 4.7957 5.4027 5.4027 6.7998 6.7998 7.5841 7.5841 7.7516 7.7516 7.9629 7.9629 8.2715 8.2715 10.3811 10.3811 11.8369 11.8369 k = 0.0000 0.5000 0.3135 ( 2418 PWs) bands (ev): -11.3813 -11.3813 -11.1889 -11.1889 -9.9496 -9.9496 -2.7172 -2.7172 1.3528 1.3528 2.4052 2.4052 2.5215 2.5215 2.6398 2.6398 2.8339 2.8339 3.6499 3.6499 4.6091 4.6091 4.8032 4.8032 5.3727 5.3727 6.7971 6.7971 7.5925 7.5925 7.7658 7.7658 7.9589 7.9589 8.2776 8.2776 10.3907 10.3907 11.8413 11.8413 k = 0.0000 0.5000 0.3252 ( 2418 PWs) bands (ev): -11.3807 -11.3807 -11.1862 -11.1862 -9.9519 -9.9519 -2.7205 -2.7205 1.3434 1.3434 2.3996 2.3996 2.5189 2.5189 2.6370 2.6370 2.8349 2.8349 3.6465 3.6465 4.6438 4.6438 4.8097 4.8097 5.3442 5.3442 6.7948 6.7948 7.5998 7.5998 7.7780 7.7780 7.9555 7.9555 8.2830 8.2830 10.3989 10.3989 11.8455 11.8455 k = 0.0000 0.5000 0.3368 ( 2422 PWs) bands (ev): -11.3802 -11.3802 -11.1838 -11.1838 -9.9539 -9.9539 -2.7232 -2.7232 1.3353 1.3353 2.3948 2.3948 2.5166 2.5166 2.6346 2.6346 2.8358 2.8358 3.6434 3.6434 4.6755 4.6755 4.8154 4.8154 5.3176 5.3176 6.7927 6.7927 7.6060 7.6060 7.7883 7.7883 7.9529 7.9529 8.2877 8.2877 10.4058 10.4058 11.8493 11.8493 k = 0.0000 0.5000 0.3484 ( 2430 PWs) bands (ev): -11.3798 -11.3798 -11.1818 -11.1818 -9.9556 -9.9556 -2.7256 -2.7256 1.3287 1.3287 2.3908 2.3908 2.5147 2.5147 2.6326 2.6326 2.8366 2.8366 3.6409 3.6409 4.7035 4.7035 4.8201 4.8201 5.2939 5.2939 6.7910 6.7910 7.6110 7.6110 7.7965 7.7965 7.9510 7.9510 8.2916 8.2916 10.4114 10.4114 11.8527 11.8527 k = 0.0000 0.5000 0.3600 ( 2440 PWs) bands (ev): -11.3795 -11.3795 -11.1803 -11.1803 -9.9570 -9.9570 -2.7274 -2.7274 1.3235 1.3235 2.3877 2.3877 2.5132 2.5132 2.6311 2.6311 2.8373 2.8373 3.6388 3.6388 4.7269 4.7269 4.8239 4.8239 5.2737 5.2737 6.7896 6.7896 7.6150 7.6150 7.8027 7.8027 7.9496 7.9496 8.2947 8.2947 10.4157 10.4157 11.8553 11.8553 k = 0.0000 0.5000 0.3716 ( 2440 PWs) bands (ev): -11.3793 -11.3793 -11.1791 -11.1791 -9.9579 -9.9579 -2.7287 -2.7287 1.3197 1.3197 2.3854 2.3854 2.5121 2.5121 2.6300 2.6300 2.8377 2.8377 3.6374 3.6374 4.7447 4.7447 4.8266 4.8266 5.2583 5.2583 6.7886 6.7886 7.6178 7.6178 7.8072 7.8072 7.9487 7.9487 8.2970 8.2970 10.4188 10.4188 11.8573 11.8573 k = 0.0000 0.5000 0.3832 ( 2432 PWs) bands (ev): -11.3791 -11.3791 -11.1785 -11.1785 -9.9585 -9.9585 -2.7295 -2.7295 1.3175 1.3175 2.3841 2.3841 2.5115 2.5115 2.6294 2.6294 2.8380 2.8380 3.6366 3.6366 4.7559 4.7559 4.8283 4.8283 5.2485 5.2485 6.7881 6.7881 7.6196 7.6196 7.8098 7.8098 7.9483 7.9483 8.2985 8.2985 10.4206 10.4206 11.8586 11.8586 k = 0.0000 0.5000 0.3948 ( 2440 PWs) bands (ev): -11.3791 -11.3791 -11.1782 -11.1782 -9.9587 -9.9587 -2.7297 -2.7297 1.3167 1.3167 2.3836 2.3836 2.5112 2.5112 2.6292 2.6292 2.8381 2.8381 3.6363 3.6363 4.7597 4.7597 4.8288 4.8288 5.2451 5.2451 6.7878 6.7878 7.6202 7.6202 7.8106 7.8106 7.9481 7.9481 8.2989 8.2989 10.4212 10.4212 11.8590 11.8590 k = 0.5000 0.5000-0.0000 ( 2444 PWs) bands (ev): -11.0509 -11.0509 -11.0126 -11.0126 -9.9180 -9.9180 -3.6132 -3.6132 0.9339 0.9339 2.3674 2.3674 2.8429 2.8429 3.3771 3.3771 3.4451 3.4451 3.6211 3.6211 3.7981 3.7981 3.8140 3.8140 5.6055 5.6055 6.7224 6.7224 6.9233 6.9233 7.0523 7.0523 7.0835 7.0835 9.0789 9.0789 10.8940 10.8940 12.5025 12.5025 k = 0.5000 0.5000 0.0116 ( 2444 PWs) bands (ev): -11.0509 -11.0509 -11.0126 -11.0126 -9.9180 -9.9180 -3.6128 -3.6128 0.9331 0.9331 2.3646 2.3646 2.8388 2.8388 3.3771 3.3771 3.4425 3.4425 3.6203 3.6203 3.8027 3.8027 3.8180 3.8180 5.6054 5.6054 6.7234 6.7234 6.9242 6.9242 7.0522 7.0522 7.0852 7.0852 9.0789 9.0789 10.8945 10.8945 12.5030 12.5030 k = 0.5000 0.5000 0.0232 ( 2436 PWs) bands (ev): -11.0508 -11.0508 -11.0125 -11.0125 -9.9177 -9.9177 -3.6119 -3.6119 0.9309 0.9309 2.3563 2.3563 2.8269 2.8269 3.3770 3.3770 3.4349 3.4349 3.6178 3.6178 3.8162 3.8162 3.8298 3.8298 5.6054 5.6054 6.7264 6.7264 6.9269 6.9269 7.0522 7.0522 7.0904 7.0904 9.0788 9.0788 10.8959 10.8959 12.5046 12.5046 k = 0.5000 0.5000 0.0348 ( 2428 PWs) bands (ev): -11.0507 -11.0507 -11.0123 -11.0123 -9.9172 -9.9172 -3.6103 -3.6103 0.9272 0.9272 2.3428 2.3428 2.8078 2.8078 3.3769 3.3769 3.4226 3.4226 3.6136 3.6136 3.8379 3.8379 3.8489 3.8489 5.6054 5.6054 6.7315 6.7315 6.9309 6.9309 7.0521 7.0521 7.0994 7.0994 9.0788 9.0788 10.8982 10.8982 12.5074 12.5074 k = 0.5000 0.5000 0.0465 ( 2420 PWs) bands (ev): -11.0505 -11.0505 -11.0121 -11.0121 -9.9166 -9.9166 -3.6081 -3.6081 0.9221 0.9221 2.3245 2.3245 2.7826 2.7826 3.3765 3.3765 3.4064 3.4064 3.6078 3.6078 3.8668 3.8668 3.8744 3.8744 5.6054 5.6054 6.7383 6.7383 6.9357 6.9357 7.0519 7.0519 7.1125 7.1125 9.0789 9.0789 10.9015 10.9015 12.5111 12.5111 k = 0.5000 0.5000 0.0581 ( 2420 PWs) bands (ev): -11.0502 -11.0502 -11.0119 -11.0119 -9.9158 -9.9158 -3.6053 -3.6053 0.9156 0.9156 2.3020 2.3020 2.7523 2.7523 3.3745 3.3745 3.3881 3.3881 3.6005 3.6005 3.9018 3.9018 3.9055 3.9055 5.6054 5.6054 6.7469 6.7469 6.9408 6.9408 7.0517 7.0517 7.1301 7.1301 9.0788 9.0788 10.9055 10.9055 12.5159 12.5159 k = 0.5000 0.5000 0.0697 ( 2404 PWs) bands (ev): -11.0499 -11.0499 -11.0116 -11.0116 -9.9149 -9.9149 -3.6019 -3.6019 0.9078 0.9078 2.2758 2.2758 2.7182 2.7182 3.3592 3.3592 3.3798 3.3798 3.5918 3.5918 3.9413 3.9413 3.9418 3.9418 5.6054 5.6054 6.7570 6.7570 6.9458 6.9458 7.0516 7.0516 7.1524 7.1524 9.0787 9.0787 10.9104 10.9104 12.5218 12.5218 k = 0.5000 0.5000 0.0813 ( 2404 PWs) bands (ev): -11.0495 -11.0495 -11.0112 -11.0112 -9.9138 -9.9138 -3.5981 -3.5981 0.8988 0.8988 2.2466 2.2466 2.6811 2.6811 3.3335 3.3335 3.3788 3.3788 3.5818 3.5818 3.9811 3.9811 3.9857 3.9857 5.6053 5.6053 6.7684 6.7684 6.9502 6.9502 7.0513 7.0513 7.1794 7.1794 9.0786 9.0786 10.9161 10.9161 12.5286 12.5286 k = 0.5000 0.5000 0.0929 ( 2404 PWs) bands (ev): -11.0491 -11.0491 -11.0108 -11.0108 -9.9126 -9.9126 -3.5937 -3.5937 0.8885 0.8885 2.2149 2.2149 2.6419 2.6419 3.3045 3.3045 3.3786 3.3786 3.5707 3.5707 4.0241 4.0241 4.0325 4.0325 5.6053 5.6053 6.7810 6.7810 6.9540 6.9540 7.0511 7.0511 7.2109 7.2109 9.0784 9.0784 10.9224 10.9224 12.5364 12.5364 k = 0.5000 0.5000 0.1045 ( 2412 PWs) bands (ev): -11.0487 -11.0487 -11.0104 -11.0104 -9.9112 -9.9112 -3.5888 -3.5888 0.8772 0.8772 2.1813 2.1813 2.6013 2.6013 3.2729 3.2729 3.3785 3.3785 3.5587 3.5587 4.0697 4.0697 4.0815 4.0815 5.6052 5.6052 6.7945 6.7945 6.9571 6.9571 7.0509 7.0509 7.2465 7.2465 9.0782 9.0782 10.9292 10.9292 12.5451 12.5451 k = 0.5000 0.5000 0.1161 ( 2404 PWs) bands (ev): -11.0482 -11.0482 -11.0099 -11.0099 -9.9097 -9.9097 -3.5835 -3.5835 0.8649 0.8649 2.1463 2.1463 2.5600 2.5600 3.2394 3.2394 3.3786 3.3786 3.5461 3.5461 4.1175 4.1175 4.1322 4.1322 5.6052 5.6052 6.8087 6.8087 6.9598 6.9598 7.0510 7.0510 7.2859 7.2859 9.0781 9.0781 10.9367 10.9367 12.5546 12.5546 k = 0.5000 0.5000 0.1277 ( 2412 PWs) bands (ev): -11.0476 -11.0476 -11.0094 -11.0094 -9.9081 -9.9081 -3.5778 -3.5778 0.8517 0.8517 2.1104 2.1104 2.5185 2.5185 3.2041 3.2041 3.3786 3.3786 3.5329 3.5329 4.1667 4.1667 4.1837 4.1837 5.6051 5.6051 6.8234 6.8234 6.9619 6.9619 7.0510 7.0510 7.3286 7.3286 9.0778 9.0778 10.9445 10.9445 12.5650 12.5650 k = 0.5000 0.5000 0.1394 ( 2396 PWs) bands (ev): -11.0471 -11.0471 -11.0089 -11.0089 -9.9064 -9.9064 -3.5716 -3.5716 0.8377 0.8377 2.0741 2.0741 2.4770 2.4770 3.1676 3.1676 3.3787 3.3787 3.5194 3.5194 4.2170 4.2170 4.2358 4.2358 5.6050 5.6050 6.8383 6.8383 6.9638 6.9638 7.0515 7.0515 7.3741 7.3741 9.0777 9.0777 10.9528 10.9528 12.5762 12.5762 k = 0.5000 0.5000 0.1510 ( 2396 PWs) bands (ev): -11.0465 -11.0465 -11.0083 -11.0083 -9.9046 -9.9046 -3.5652 -3.5652 0.8231 0.8231 2.0376 2.0376 2.4361 2.4361 3.1300 3.1300 3.3788 3.3788 3.5056 3.5056 4.2680 4.2680 4.2879 4.2879 5.6050 5.6050 6.8531 6.8531 6.9652 6.9652 7.0520 7.0520 7.4218 7.4218 9.0775 9.0775 10.9613 10.9613 12.5881 12.5881 k = 0.5000 0.5000 0.1626 ( 2388 PWs) bands (ev): -11.0459 -11.0459 -11.0077 -11.0077 -9.9027 -9.9027 -3.5585 -3.5585 0.8080 0.8080 2.0013 2.0013 2.3959 2.3959 3.0916 3.0916 3.3789 3.3789 3.4919 3.4919 4.3191 4.3191 4.3398 4.3398 5.6049 5.6049 6.8677 6.8677 6.9665 6.9665 7.0530 7.0530 7.4714 7.4714 9.0772 9.0772 10.9700 10.9700 12.6006 12.6006 k = 0.5000 0.5000 0.1742 ( 2396 PWs) bands (ev): -11.0452 -11.0452 -11.0071 -11.0071 -9.9009 -9.9009 -3.5516 -3.5516 0.7925 0.7925 1.9655 1.9655 2.3566 2.3566 3.0529 3.0529 3.3790 3.3790 3.4782 3.4782 4.3700 4.3700 4.3909 4.3909 5.6048 5.6048 6.8817 6.8817 6.9675 6.9675 7.0542 7.0542 7.5222 7.5222 9.0769 9.0769 10.9788 10.9788 12.6137 12.6137 k = 0.5000 0.5000 0.1858 ( 2396 PWs) bands (ev): -11.0446 -11.0446 -11.0065 -11.0065 -9.8989 -9.8989 -3.5445 -3.5445 0.7767 0.7767 1.9303 1.9303 2.3185 2.3185 3.0142 3.0142 3.3791 3.3791 3.4647 3.4647 4.4205 4.4205 4.4411 4.4411 5.6048 5.6048 6.8951 6.8951 6.9684 6.9684 7.0559 7.0559 7.5737 7.5737 9.0767 9.0767 10.9877 10.9877 12.6272 12.6272 k = 0.5000 0.5000 0.1974 ( 2388 PWs) bands (ev): -11.0439 -11.0439 -11.0059 -11.0059 -9.8970 -9.8970 -3.5373 -3.5373 0.7609 0.7609 1.8962 1.8962 2.2818 2.2818 2.9757 2.9757 3.3793 3.3793 3.4516 3.4516 4.4702 4.4702 4.4901 4.4901 5.6047 5.6047 6.9077 6.9077 6.9693 6.9693 7.0583 7.0583 7.6257 7.6257 9.0764 9.0764 10.9966 10.9966 12.6411 12.6411 k = 0.5000 0.5000 0.2090 ( 2396 PWs) bands (ev): -11.0433 -11.0433 -11.0053 -11.0053 -9.8950 -9.8950 -3.5301 -3.5301 0.7451 0.7451 1.8631 1.8631 2.2466 2.2466 2.9377 2.9377 3.3794 3.3794 3.4388 3.4388 4.5186 4.5186 4.5377 4.5377 5.6046 5.6046 6.9191 6.9191 6.9701 6.9701 7.0611 7.0611 7.6775 7.6775 9.0761 9.0761 11.0053 11.0053 12.6553 12.6553 k = 0.5000 0.5000 0.2206 ( 2404 PWs) bands (ev): -11.0427 -11.0427 -11.0047 -11.0047 -9.8931 -9.8931 -3.5230 -3.5230 0.7294 0.7294 1.8314 1.8314 2.2129 2.2129 2.9005 2.9005 3.3795 3.3795 3.4265 3.4265 4.5657 4.5657 4.5835 4.5835 5.6045 5.6045 6.9294 6.9294 6.9708 6.9708 7.0645 7.0645 7.7287 7.7287 9.0758 9.0758 11.0138 11.0138 12.6696 12.6696 k = 0.5000 0.5000 0.2323 ( 2404 PWs) bands (ev): -11.0420 -11.0420 -11.0041 -11.0041 -9.8912 -9.8912 -3.5159 -3.5159 0.7140 0.7140 1.8011 1.8011 2.1811 2.1811 2.8645 2.8645 3.3796 3.3796 3.4149 3.4149 4.6111 4.6111 4.6273 4.6273 5.6044 5.6044 6.9384 6.9384 6.9716 6.9716 7.0686 7.0686 7.7790 7.7790 9.0756 9.0756 11.0221 11.0221 12.6840 12.6840 k = 0.5000 0.5000 0.2439 ( 2408 PWs) bands (ev): -11.0414 -11.0414 -11.0035 -11.0035 -9.8893 -9.8893 -3.5090 -3.5090 0.6991 0.6991 1.7724 1.7724 2.1510 2.1510 2.8298 2.8298 3.3798 3.3798 3.4038 3.4038 4.6545 4.6545 4.6691 4.6691 5.6043 5.6043 6.9462 6.9462 6.9723 6.9723 7.0733 7.0733 7.8277 7.8277 9.0753 9.0753 11.0300 11.0300 12.6983 12.6983 k = 0.5000 0.5000 0.2555 ( 2408 PWs) bands (ev): -11.0408 -11.0408 -11.0030 -11.0030 -9.8875 -9.8875 -3.5022 -3.5022 0.6847 0.6847 1.7454 1.7454 2.1229 2.1229 2.7967 2.7967 3.3799 3.3799 3.3934 3.3934 4.6957 4.6957 4.7085 4.7085 5.6043 5.6043 6.9529 6.9529 6.9730 6.9730 7.0784 7.0784 7.8748 7.8748 9.0751 9.0751 11.0377 11.0377 12.7124 12.7124 k = 0.5000 0.5000 0.2671 ( 2416 PWs) bands (ev): -11.0403 -11.0403 -11.0024 -11.0024 -9.8858 -9.8858 -3.4958 -3.4958 0.6710 0.6710 1.7202 1.7202 2.0968 2.0968 2.7653 2.7653 3.3800 3.3800 3.3838 3.3838 4.7344 4.7344 4.7454 4.7454 5.6042 5.6042 6.9583 6.9583 6.9737 6.9737 7.0838 7.0838 7.9196 7.9196 9.0749 9.0749 11.0449 11.0449 12.7262 12.7262 k = 0.5000 0.5000 0.2787 ( 2428 PWs) bands (ev): -11.0397 -11.0397 -11.0019 -11.0019 -9.8842 -9.8842 -3.4897 -3.4897 0.6580 0.6580 1.6969 1.6969 2.0727 2.0727 2.7360 2.7360 3.3748 3.3748 3.3801 3.3801 4.7706 4.7706 4.7796 4.7796 5.6041 5.6041 6.9627 6.9627 6.9743 6.9743 7.0893 7.0893 7.9619 7.9619 9.0747 9.0747 11.0516 11.0516 12.7394 12.7394 k = 0.5000 0.5000 0.2903 ( 2424 PWs) bands (ev): -11.0392 -11.0392 -11.0015 -11.0015 -9.8827 -9.8827 -3.4839 -3.4839 0.6460 0.6460 1.6756 1.6756 2.0508 2.0508 2.7089 2.7089 3.3668 3.3668 3.3802 3.3802 4.8039 4.8039 4.8110 4.8110 5.6041 5.6041 6.9664 6.9664 6.9749 6.9749 7.0949 7.0949 8.0015 8.0015 9.0745 9.0745 11.0578 11.0578 12.7519 12.7519 k = 0.5000 0.5000 0.3019 ( 2424 PWs) bands (ev): -11.0388 -11.0388 -11.0010 -11.0010 -9.8813 -9.8813 -3.4786 -3.4786 0.6349 0.6349 1.6564 1.6564 2.0310 2.0310 2.6842 2.6842 3.3596 3.3596 3.3803 3.3803 4.8343 4.8343 4.8395 4.8395 5.6040 5.6040 6.9693 6.9693 6.9756 6.9756 7.1002 7.1002 8.0377 8.0377 9.0743 9.0743 11.0635 11.0635 12.7637 12.7637 k = 0.5000 0.5000 0.3135 ( 2424 PWs) bands (ev): -11.0384 -11.0384 -11.0006 -11.0006 -9.8800 -9.8800 -3.4738 -3.4738 0.6250 0.6250 1.6392 1.6392 2.0135 2.0135 2.6621 2.6621 3.3531 3.3531 3.3804 3.3804 4.8614 4.8614 4.8650 4.8650 5.6040 5.6040 6.9717 6.9717 6.9762 6.9762 7.1052 7.1052 8.0704 8.0704 9.0741 9.0741 11.0686 11.0686 12.7745 12.7745 k = 0.5000 0.5000 0.3252 ( 2424 PWs) bands (ev): -11.0380 -11.0380 -11.0003 -11.0003 -9.8789 -9.8789 -3.4695 -3.4695 0.6162 0.6162 1.6243 1.6243 1.9982 1.9982 2.6426 2.6426 3.3475 3.3475 3.3805 3.3805 4.8853 4.8853 4.8872 4.8872 5.6040 5.6040 6.9735 6.9735 6.9768 6.9768 7.1098 7.1098 8.0993 8.0993 9.0740 9.0740 11.0731 11.0731 12.7842 12.7842 k = 0.5000 0.5000 0.3368 ( 2424 PWs) bands (ev): -11.0377 -11.0377 -11.0000 -11.0000 -9.8779 -9.8779 -3.4658 -3.4658 0.6086 0.6086 1.6116 1.6116 1.9853 1.9853 2.6259 2.6259 3.3428 3.3428 3.3806 3.3806 4.9057 4.9057 4.9062 4.9062 5.6039 5.6039 6.9750 6.9750 6.9773 6.9773 7.1138 7.1138 8.1242 8.1242 9.0739 9.0739 11.0769 11.0769 12.7927 12.7927 k = 0.5000 0.5000 0.3484 ( 2424 PWs) bands (ev): -11.0374 -11.0374 -10.9997 -10.9997 -9.8771 -9.8771 -3.4627 -3.4627 0.6023 0.6023 1.6011 1.6011 1.9746 1.9746 2.6121 2.6121 3.3389 3.3389 3.3806 3.3806 4.9219 4.9219 4.9225 4.9225 5.6039 5.6039 6.9761 6.9761 6.9777 6.9777 7.1172 7.1172 8.1449 8.1449 9.0738 9.0738 11.0801 11.0801 12.7999 12.7999 k = 0.5000 0.5000 0.3600 ( 2424 PWs) bands (ev): -11.0372 -11.0372 -10.9995 -10.9995 -9.8765 -9.8765 -3.4603 -3.4603 0.5974 0.5974 1.5929 1.5929 1.9663 1.9663 2.6013 2.6013 3.3359 3.3359 3.3807 3.3807 4.9341 4.9341 4.9357 4.9357 5.6039 5.6039 6.9769 6.9769 6.9781 6.9781 7.1198 7.1198 8.1612 8.1612 9.0737 9.0737 11.0825 11.0825 12.8055 12.8055 k = 0.5000 0.5000 0.3716 ( 2436 PWs) bands (ev): -11.0371 -11.0371 -10.9994 -10.9994 -9.8761 -9.8761 -3.4586 -3.4586 0.5938 0.5938 1.5871 1.5871 1.9603 1.9603 2.5935 2.5935 3.3336 3.3336 3.3807 3.3807 4.9429 4.9429 4.9452 4.9452 5.6039 5.6039 6.9774 6.9774 6.9783 6.9783 7.1217 7.1217 8.1728 8.1728 9.0736 9.0736 11.0843 11.0843 12.8096 12.8096 k = 0.5000 0.5000 0.3832 ( 2432 PWs) bands (ev): -11.0370 -11.0370 -10.9993 -10.9993 -9.8758 -9.8758 -3.4575 -3.4575 0.5917 0.5917 1.5836 1.5836 1.9568 1.9568 2.5888 2.5888 3.3323 3.3323 3.3807 3.3807 4.9482 4.9482 4.9509 4.9509 5.6038 5.6038 6.9777 6.9777 6.9785 6.9785 7.1230 7.1230 8.1799 8.1799 9.0735 9.0735 11.0854 11.0854 12.8121 12.8121 k = 0.5000 0.5000 0.3948 ( 2432 PWs) bands (ev): -11.0369 -11.0369 -10.9993 -10.9993 -9.8757 -9.8757 -3.4572 -3.4572 0.5910 0.5910 1.5824 1.5824 1.9556 1.9556 2.5872 2.5872 3.3319 3.3319 3.3807 3.3807 4.9499 4.9499 4.9529 4.9529 5.6038 5.6038 6.9779 6.9779 6.9785 6.9785 7.1233 7.1233 8.1822 8.1822 9.0735 9.0735 11.0858 11.0858 12.8130 12.8130 Writing output data file CoBiO3.save init_run : 6.38s CPU 12.18s WALL ( 1 calls) electrons : 213.78s CPU 231.88s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 213.77s CPU 231.87s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.04s CPU 0.04s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.03s WALL ( 403 calls) cegterg : 158.19s CPU 161.20s WALL ( 649 calls) Called by sum_band: Called by *egterg: h_psi : 63.42s CPU 66.06s WALL ( 9662 calls) s_psi : 8.41s CPU 8.16s WALL ( 9662 calls) g_psi : 0.22s CPU 0.24s WALL ( 8610 calls) cdiaghg : 69.30s CPU 70.22s WALL ( 9013 calls) cegterg:over : 8.79s CPU 9.39s WALL ( 8610 calls) cegterg:upda : 7.29s CPU 7.00s WALL ( 8610 calls) cegterg:last : 4.39s CPU 4.20s WALL ( 1914 calls) cdiaghg:chol : 3.42s CPU 3.33s WALL ( 9013 calls) cdiaghg:inve : 2.28s CPU 2.22s WALL ( 9013 calls) cdiaghg:para : 5.78s CPU 5.77s WALL ( 18026 calls) Called by h_psi: h_psi:vloc : 52.29s CPU 53.96s WALL ( 9662 calls) h_psi:vnl : 10.94s CPU 11.87s WALL ( 9662 calls) add_vuspsi : 5.20s CPU 5.61s WALL ( 9662 calls) General routines calbec : 5.70s CPU 6.22s WALL ( 9662 calls) fft : 0.01s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 45.94s CPU 47.51s WALL ( 988420 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.14s CPU 0.14s WALL ( 806 calls) Parallel routines fft_scatter : 34.16s CPU 36.05s WALL ( 988443 calls) PWSCF : 4m 9.31s CPU 15m 0.02s WALL This run was terminated on: 17:39:14 3Jun2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=