Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:55:25 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./MoO3.save/ file Mo.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 37 22 6 1852 887 141 Max 38 23 7 1858 907 149 Sum 1345 819 251 66765 32349 5275 bravais-lattice index = 14 lattice parameter (alat) = 6.9674 a.u. unit-cell volume = 678.0019 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 2 number of electrons = 64.00 number of Kohn-Sham states= 76 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.967420 celldm(2)= 1.072417 celldm(3)= 1.924329 celldm(4)= 0.237686 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 1.072417 0.000000 ) a(3) = ( 0.000000 0.457386 1.869181 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.932473 -0.228175 ) b(3) = ( 0.000000 0.000000 0.534994 ) 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 Mo read from file: /users/gautes/Pseudo/Mo.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 20113fa3d0a6ce27e798500ceb8a7ae4 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1229 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) Mo 14.00 95.94000 Mo( 1.00) 4 Sym. Ops., with inversion, found ( 2 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [1,0,0] -C2 -2 180 deg rotation - cart. axis [1,0,0] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [1,0,0] -s_h -4 inv. 180 deg rotation - cart. axis [1,0,0] E Cartesian axes number of k points= 310 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032258 k( 2) = ( 0.0000000 0.0000000 0.0116303), wk = 0.0032258 k( 3) = ( 0.0000000 0.0000000 0.0232606), wk = 0.0032258 k( 4) = ( 0.0000000 0.0000000 0.0348909), wk = 0.0032258 k( 5) = ( 0.0000000 0.0000000 0.0465212), wk = 0.0032258 k( 6) = ( 0.0000000 0.0000000 0.0581515), wk = 0.0032258 k( 7) = ( 0.0000000 0.0000000 0.0697818), wk = 0.0032258 k( 8) = ( 0.0000000 0.0000000 0.0814121), wk = 0.0032258 k( 9) = ( 0.0000000 0.0000000 0.0930424), wk = 0.0032258 k( 10) = ( 0.0000000 0.0000000 0.1046726), wk = 0.0032258 k( 11) = ( 0.0000000 0.0000000 0.1163029), wk = 0.0032258 k( 12) = ( 0.0000000 0.0000000 0.1279332), wk = 0.0032258 k( 13) = ( 0.0000000 0.0000000 0.1395635), wk = 0.0032258 k( 14) = ( 0.0000000 0.0000000 0.1511938), wk = 0.0032258 k( 15) = ( 0.0000000 0.0000000 0.1628241), wk = 0.0032258 k( 16) = ( 0.0000000 0.0000000 0.1744544), wk = 0.0032258 k( 17) = ( 0.0000000 0.0000000 0.1860847), wk = 0.0032258 k( 18) = ( 0.0000000 0.0000000 0.1977150), wk = 0.0032258 k( 19) = ( 0.0000000 0.0000000 0.2093453), wk = 0.0032258 k( 20) = ( 0.0000000 0.0000000 0.2209756), wk = 0.0032258 k( 21) = ( 0.0000000 0.0000000 0.2326059), wk = 0.0032258 k( 22) = ( 0.0000000 0.0000000 0.2442362), wk = 0.0032258 k( 23) = ( 0.0000000 0.0000000 0.2558665), wk = 0.0032258 k( 24) = ( 0.0000000 0.0000000 0.2674968), wk = 0.0032258 k( 25) = ( 0.0000000 0.0000000 0.2674968), wk = 0.0032258 k( 26) = ( 0.0000000 0.0115864 0.2674968), wk = 0.0032258 k( 27) = ( 0.0000000 0.0231729 0.2674968), wk = 0.0032258 k( 28) = ( 0.0000000 0.0347593 0.2674968), wk = 0.0032258 k( 29) = ( 0.0000000 0.0463457 0.2674968), wk = 0.0032258 k( 30) = ( 0.0000000 0.0579321 0.2674968), wk = 0.0032258 k( 31) = ( 0.0000000 0.0695185 0.2674968), wk = 0.0032258 k( 32) = ( 0.0000000 0.0811050 0.2674968), wk = 0.0032258 k( 33) = ( 0.0000000 0.0926914 0.2674968), wk = 0.0032258 k( 34) = ( 0.0000000 0.1042778 0.2674968), wk = 0.0032258 k( 35) = ( 0.0000000 0.1158642 0.2674968), wk = 0.0032258 k( 36) = ( 0.0000000 0.1274507 0.2674968), wk = 0.0032258 k( 37) = ( 0.0000000 0.1390371 0.2674968), wk = 0.0032258 k( 38) = ( 0.0000000 0.1506235 0.2674968), wk = 0.0032258 k( 39) = ( 0.0000000 0.1622099 0.2674968), wk = 0.0032258 k( 40) = ( 0.0000000 0.1737964 0.2674968), wk = 0.0032258 k( 41) = ( 0.0000000 0.1853828 0.2674968), wk = 0.0032258 k( 42) = ( 0.0000000 0.1969692 0.2674968), wk = 0.0032258 k( 43) = ( 0.0000000 0.2085556 0.2674968), wk = 0.0032258 k( 44) = ( 0.0000000 0.2201421 0.2674968), wk = 0.0032258 k( 45) = ( 0.0000000 0.2317285 0.2674968), wk = 0.0032258 k( 46) = ( 0.0000000 0.2433149 0.2674968), wk = 0.0032258 k( 47) = ( 0.0000000 0.2549013 0.2674968), wk = 0.0032258 k( 48) = ( 0.0000000 0.2664878 0.2674968), wk = 0.0032258 k( 49) = ( 0.0000000 0.2780742 0.2674968), wk = 0.0032258 k( 50) = ( 0.0000000 0.2896606 0.2674968), wk = 0.0032258 k( 51) = ( 0.0000000 0.3012470 0.2674968), wk = 0.0032258 k( 52) = ( 0.0000000 0.3128334 0.2674968), wk = 0.0032258 k( 53) = ( 0.0000000 0.3244199 0.2674968), wk = 0.0032258 k( 54) = ( 0.0000000 0.3360063 0.2674968), wk = 0.0032258 k( 55) = ( 0.0000000 0.3475927 0.2674968), wk = 0.0032258 k( 56) = ( 0.0000000 0.3591791 0.2674968), wk = 0.0032258 k( 57) = ( 0.0000000 0.3707656 0.2674968), wk = 0.0032258 k( 58) = ( 0.0000000 0.3823520 0.2674968), wk = 0.0032258 k( 59) = ( 0.0000000 0.3939384 0.2674968), wk = 0.0032258 k( 60) = ( 0.0000000 0.4055248 0.2674968), wk = 0.0032258 k( 61) = ( 0.0000000 0.4171113 0.2674968), wk = 0.0032258 k( 62) = ( 0.0000000 0.4286977 0.2674968), wk = 0.0032258 k( 63) = ( 0.0000000 0.4286977 0.2674968), wk = 0.0032258 k( 64) = ( 0.0000000 0.4321103 0.2571252), wk = 0.0032258 k( 65) = ( 0.0000000 0.4355230 0.2467536), wk = 0.0032258 k( 66) = ( 0.0000000 0.4389356 0.2363820), wk = 0.0032258 k( 67) = ( 0.0000000 0.4423482 0.2260104), wk = 0.0032258 k( 68) = ( 0.0000000 0.4457609 0.2156389), wk = 0.0032258 k( 69) = ( 0.0000000 0.4491735 0.2052673), wk = 0.0032258 k( 70) = ( 0.0000000 0.4525862 0.1948957), wk = 0.0032258 k( 71) = ( 0.0000000 0.4559988 0.1845241), wk = 0.0032258 k( 72) = ( 0.0000000 0.4594114 0.1741525), wk = 0.0032258 k( 73) = ( 0.0000000 0.4628241 0.1637810), wk = 0.0032258 k( 74) = ( 0.0000000 0.4662367 0.1534094), wk = 0.0032258 k( 75) = ( 0.0000000 0.4662367 0.1534094), wk = 0.0032258 k( 76) = ( 0.0116279 0.4662367 0.1534094), wk = 0.0032258 k( 77) = ( 0.0232558 0.4662367 0.1534094), wk = 0.0032258 k( 78) = ( 0.0348837 0.4662367 0.1534094), wk = 0.0032258 k( 79) = ( 0.0465116 0.4662367 0.1534094), wk = 0.0032258 k( 80) = ( 0.0581395 0.4662367 0.1534094), wk = 0.0032258 k( 81) = ( 0.0697674 0.4662367 0.1534094), wk = 0.0032258 k( 82) = ( 0.0813954 0.4662367 0.1534094), wk = 0.0032258 k( 83) = ( 0.0930233 0.4662367 0.1534094), wk = 0.0032258 k( 84) = ( 0.1046512 0.4662367 0.1534094), wk = 0.0032258 k( 85) = ( 0.1162791 0.4662367 0.1534094), wk = 0.0032258 k( 86) = ( 0.1279070 0.4662367 0.1534094), wk = 0.0032258 k( 87) = ( 0.1395349 0.4662367 0.1534094), wk = 0.0032258 k( 88) = ( 0.1511628 0.4662367 0.1534094), wk = 0.0032258 k( 89) = ( 0.1627907 0.4662367 0.1534094), wk = 0.0032258 k( 90) = ( 0.1744186 0.4662367 0.1534094), wk = 0.0032258 k( 91) = ( 0.1860465 0.4662367 0.1534094), wk = 0.0032258 k( 92) = ( 0.1976744 0.4662367 0.1534094), wk = 0.0032258 k( 93) = ( 0.2093023 0.4662367 0.1534094), wk = 0.0032258 k( 94) = ( 0.2209302 0.4662367 0.1534094), wk = 0.0032258 k( 95) = ( 0.2325581 0.4662367 0.1534094), wk = 0.0032258 k( 96) = ( 0.2441860 0.4662367 0.1534094), wk = 0.0032258 k( 97) = ( 0.2558140 0.4662367 0.1534094), wk = 0.0032258 k( 98) = ( 0.2674419 0.4662367 0.1534094), wk = 0.0032258 k( 99) = ( 0.2790698 0.4662367 0.1534094), wk = 0.0032258 k( 100) = ( 0.2906977 0.4662367 0.1534094), wk = 0.0032258 k( 101) = ( 0.3023256 0.4662367 0.1534094), wk = 0.0032258 k( 102) = ( 0.3139535 0.4662367 0.1534094), wk = 0.0032258 k( 103) = ( 0.3255814 0.4662367 0.1534094), wk = 0.0032258 k( 104) = ( 0.3372093 0.4662367 0.1534094), wk = 0.0032258 k( 105) = ( 0.3488372 0.4662367 0.1534094), wk = 0.0032258 k( 106) = ( 0.3604651 0.4662367 0.1534094), wk = 0.0032258 k( 107) = ( 0.3720930 0.4662367 0.1534094), wk = 0.0032258 k( 108) = ( 0.3837209 0.4662367 0.1534094), wk = 0.0032258 k( 109) = ( 0.3953488 0.4662367 0.1534094), wk = 0.0032258 k( 110) = ( 0.4069767 0.4662367 0.1534094), wk = 0.0032258 k( 111) = ( 0.4186047 0.4662367 0.1534094), wk = 0.0032258 k( 112) = ( 0.4302326 0.4662367 0.1534094), wk = 0.0032258 k( 113) = ( 0.4418605 0.4662367 0.1534094), wk = 0.0032258 k( 114) = ( 0.4534884 0.4662367 0.1534094), wk = 0.0032258 k( 115) = ( 0.4651163 0.4662367 0.1534094), wk = 0.0032258 k( 116) = ( 0.4767442 0.4662367 0.1534094), wk = 0.0032258 k( 117) = ( 0.4883721 0.4662367 0.1534094), wk = 0.0032258 k( 118) = ( 0.5000000 0.4662367 0.1534094), wk = 0.0032258 k( 119) = ( 0.5000000 0.4662367 0.1534094), wk = 0.0032258 k( 120) = ( 0.5000000 0.4696494 0.1430378), wk = 0.0032258 k( 121) = ( 0.5000000 0.4730620 0.1326662), wk = 0.0032258 k( 122) = ( 0.5000000 0.4764746 0.1222946), wk = 0.0032258 k( 123) = ( 0.5000000 0.4798873 0.1119230), wk = 0.0032258 k( 124) = ( 0.5000000 0.4832999 0.1015515), wk = 0.0032258 k( 125) = ( 0.5000000 0.4867126 0.0911799), wk = 0.0032258 k( 126) = ( 0.5000000 0.4901252 0.0808083), wk = 0.0032258 k( 127) = ( 0.5000000 0.4935378 0.0704367), wk = 0.0032258 k( 128) = ( 0.5000000 0.4969505 0.0600651), wk = 0.0032258 k( 129) = ( 0.5000000 0.5003631 0.0496936), wk = 0.0032258 k( 130) = ( 0.5000000 0.5037758 0.0393220), wk = 0.0032258 k( 131) = ( 0.5000000 0.5037758 0.0393220), wk = 0.0032258 k( 132) = ( 0.5000000 0.5010944 0.0283642), wk = 0.0032258 k( 133) = ( 0.5000000 0.4984130 0.0174063), wk = 0.0032258 k( 134) = ( 0.5000000 0.4957317 0.0064485), wk = 0.0032258 k( 135) = ( 0.5000000 0.4930503 -0.0045093), wk = 0.0032258 k( 136) = ( 0.5000000 0.4903690 -0.0154671), wk = 0.0032258 k( 137) = ( 0.5000000 0.4876876 -0.0264249), wk = 0.0032258 k( 138) = ( 0.5000000 0.4850062 -0.0373827), wk = 0.0032258 k( 139) = ( 0.5000000 0.4823249 -0.0483405), wk = 0.0032258 k( 140) = ( 0.5000000 0.4796435 -0.0592983), wk = 0.0032258 k( 141) = ( 0.5000000 0.4769622 -0.0702562), wk = 0.0032258 k( 142) = ( 0.5000000 0.4742808 -0.0812140), wk = 0.0032258 k( 143) = ( 0.5000000 0.4715994 -0.0921718), wk = 0.0032258 k( 144) = ( 0.5000000 0.4689181 -0.1031296), wk = 0.0032258 k( 145) = ( 0.5000000 0.4662367 -0.1140874), wk = 0.0032258 k( 146) = ( 0.5000000 0.4662367 -0.1140874), wk = 0.0032258 k( 147) = ( 0.4883721 0.4662367 -0.1140874), wk = 0.0032258 k( 148) = ( 0.4767442 0.4662367 -0.1140874), wk = 0.0032258 k( 149) = ( 0.4651163 0.4662367 -0.1140874), wk = 0.0032258 k( 150) = ( 0.4534884 0.4662367 -0.1140874), wk = 0.0032258 k( 151) = ( 0.4418605 0.4662367 -0.1140874), wk = 0.0032258 k( 152) = ( 0.4302326 0.4662367 -0.1140874), wk = 0.0032258 k( 153) = ( 0.4186047 0.4662367 -0.1140874), wk = 0.0032258 k( 154) = ( 0.4069767 0.4662367 -0.1140874), wk = 0.0032258 k( 155) = ( 0.3953488 0.4662367 -0.1140874), wk = 0.0032258 k( 156) = ( 0.3837209 0.4662367 -0.1140874), wk = 0.0032258 k( 157) = ( 0.3720930 0.4662367 -0.1140874), wk = 0.0032258 k( 158) = ( 0.3604651 0.4662367 -0.1140874), wk = 0.0032258 k( 159) = ( 0.3488372 0.4662367 -0.1140874), wk = 0.0032258 k( 160) = ( 0.3372093 0.4662367 -0.1140874), wk = 0.0032258 k( 161) = ( 0.3255814 0.4662367 -0.1140874), wk = 0.0032258 k( 162) = ( 0.3139535 0.4662367 -0.1140874), wk = 0.0032258 k( 163) = ( 0.3023256 0.4662367 -0.1140874), wk = 0.0032258 k( 164) = ( 0.2906977 0.4662367 -0.1140874), wk = 0.0032258 k( 165) = ( 0.2790698 0.4662367 -0.1140874), wk = 0.0032258 k( 166) = ( 0.2674419 0.4662367 -0.1140874), wk = 0.0032258 k( 167) = ( 0.2558140 0.4662367 -0.1140874), wk = 0.0032258 k( 168) = ( 0.2441860 0.4662367 -0.1140874), wk = 0.0032258 k( 169) = ( 0.2325581 0.4662367 -0.1140874), wk = 0.0032258 k( 170) = ( 0.2209302 0.4662367 -0.1140874), wk = 0.0032258 k( 171) = ( 0.2093023 0.4662367 -0.1140874), wk = 0.0032258 k( 172) = ( 0.1976744 0.4662367 -0.1140874), wk = 0.0032258 k( 173) = ( 0.1860465 0.4662367 -0.1140874), wk = 0.0032258 k( 174) = ( 0.1744186 0.4662367 -0.1140874), wk = 0.0032258 k( 175) = ( 0.1627907 0.4662367 -0.1140874), wk = 0.0032258 k( 176) = ( 0.1511628 0.4662367 -0.1140874), wk = 0.0032258 k( 177) = ( 0.1395349 0.4662367 -0.1140874), wk = 0.0032258 k( 178) = ( 0.1279070 0.4662367 -0.1140874), wk = 0.0032258 k( 179) = ( 0.1162791 0.4662367 -0.1140874), wk = 0.0032258 k( 180) = ( 0.1046512 0.4662367 -0.1140874), wk = 0.0032258 k( 181) = ( 0.0930233 0.4662367 -0.1140874), wk = 0.0032258 k( 182) = ( 0.0813954 0.4662367 -0.1140874), wk = 0.0032258 k( 183) = ( 0.0697674 0.4662367 -0.1140874), wk = 0.0032258 k( 184) = ( 0.0581395 0.4662367 -0.1140874), wk = 0.0032258 k( 185) = ( 0.0465116 0.4662367 -0.1140874), wk = 0.0032258 k( 186) = ( 0.0348837 0.4662367 -0.1140874), wk = 0.0032258 k( 187) = ( 0.0232558 0.4662367 -0.1140874), wk = 0.0032258 k( 188) = ( 0.0116279 0.4662367 -0.1140874), wk = 0.0032258 k( 189) = ( 0.0000000 0.4662367 -0.1140874), wk = 0.0032258 k( 190) = ( 0.0000000 0.4662367 -0.1140874), wk = 0.0032258 k( 191) = ( 0.0000000 0.4689181 -0.1031296), wk = 0.0032258 k( 192) = ( 0.0000000 0.4715994 -0.0921718), wk = 0.0032258 k( 193) = ( 0.0000000 0.4742808 -0.0812140), wk = 0.0032258 k( 194) = ( 0.0000000 0.4769622 -0.0702562), wk = 0.0032258 k( 195) = ( 0.0000000 0.4796435 -0.0592983), wk = 0.0032258 k( 196) = ( 0.0000000 0.4823249 -0.0483405), wk = 0.0032258 k( 197) = ( 0.0000000 0.4850062 -0.0373827), wk = 0.0032258 k( 198) = ( 0.0000000 0.4876876 -0.0264249), wk = 0.0032258 k( 199) = ( 0.0000000 0.4903690 -0.0154671), wk = 0.0032258 k( 200) = ( 0.0000000 0.4930503 -0.0045093), wk = 0.0032258 k( 201) = ( 0.0000000 0.4957317 0.0064485), wk = 0.0032258 k( 202) = ( 0.0000000 0.4984130 0.0174063), wk = 0.0032258 k( 203) = ( 0.0000000 0.5010944 0.0283642), wk = 0.0032258 k( 204) = ( 0.0000000 0.5037758 0.0393220), wk = 0.0032258 k( 205) = ( 0.5000000 0.4286977 0.2674968), wk = 0.0032258 k( 206) = ( 0.5000000 0.4171113 0.2674968), wk = 0.0032258 k( 207) = ( 0.5000000 0.4055248 0.2674968), wk = 0.0032258 k( 208) = ( 0.5000000 0.3939384 0.2674968), wk = 0.0032258 k( 209) = ( 0.5000000 0.3823520 0.2674968), wk = 0.0032258 k( 210) = ( 0.5000000 0.3707656 0.2674968), wk = 0.0032258 k( 211) = ( 0.5000000 0.3591791 0.2674968), wk = 0.0032258 k( 212) = ( 0.5000000 0.3475927 0.2674968), wk = 0.0032258 k( 213) = ( 0.5000000 0.3360063 0.2674968), wk = 0.0032258 k( 214) = ( 0.5000000 0.3244199 0.2674968), wk = 0.0032258 k( 215) = ( 0.5000000 0.3128334 0.2674968), wk = 0.0032258 k( 216) = ( 0.5000000 0.3012470 0.2674968), wk = 0.0032258 k( 217) = ( 0.5000000 0.2896606 0.2674968), wk = 0.0032258 k( 218) = ( 0.5000000 0.2780742 0.2674968), wk = 0.0032258 k( 219) = ( 0.5000000 0.2664878 0.2674968), wk = 0.0032258 k( 220) = ( 0.5000000 0.2549013 0.2674968), wk = 0.0032258 k( 221) = ( 0.5000000 0.2433149 0.2674968), wk = 0.0032258 k( 222) = ( 0.5000000 0.2317285 0.2674968), wk = 0.0032258 k( 223) = ( 0.5000000 0.2201421 0.2674968), wk = 0.0032258 k( 224) = ( 0.5000000 0.2085556 0.2674968), wk = 0.0032258 k( 225) = ( 0.5000000 0.1969692 0.2674968), wk = 0.0032258 k( 226) = ( 0.5000000 0.1853828 0.2674968), wk = 0.0032258 k( 227) = ( 0.5000000 0.1737964 0.2674968), wk = 0.0032258 k( 228) = ( 0.5000000 0.1622099 0.2674968), wk = 0.0032258 k( 229) = ( 0.5000000 0.1506235 0.2674968), wk = 0.0032258 k( 230) = ( 0.5000000 0.1390371 0.2674968), wk = 0.0032258 k( 231) = ( 0.5000000 0.1274507 0.2674968), wk = 0.0032258 k( 232) = ( 0.5000000 0.1158642 0.2674968), wk = 0.0032258 k( 233) = ( 0.5000000 0.1042778 0.2674968), wk = 0.0032258 k( 234) = ( 0.5000000 0.0926914 0.2674968), wk = 0.0032258 k( 235) = ( 0.5000000 0.0811050 0.2674968), wk = 0.0032258 k( 236) = ( 0.5000000 0.0695185 0.2674968), wk = 0.0032258 k( 237) = ( 0.5000000 0.0579321 0.2674968), wk = 0.0032258 k( 238) = ( 0.5000000 0.0463457 0.2674968), wk = 0.0032258 k( 239) = ( 0.5000000 0.0347593 0.2674968), wk = 0.0032258 k( 240) = ( 0.5000000 0.0231729 0.2674968), wk = 0.0032258 k( 241) = ( 0.5000000 0.0115864 0.2674968), wk = 0.0032258 k( 242) = ( 0.5000000 -0.0000000 0.2674968), wk = 0.0032258 k( 243) = ( 0.5000000 -0.0000000 0.2674968), wk = 0.0032258 k( 244) = ( 0.5000000 -0.0000000 0.2558665), wk = 0.0032258 k( 245) = ( 0.5000000 -0.0000000 0.2442362), wk = 0.0032258 k( 246) = ( 0.5000000 -0.0000000 0.2326059), wk = 0.0032258 k( 247) = ( 0.5000000 -0.0000000 0.2209756), wk = 0.0032258 k( 248) = ( 0.5000000 -0.0000000 0.2093453), wk = 0.0032258 k( 249) = ( 0.5000000 -0.0000000 0.1977150), wk = 0.0032258 k( 250) = ( 0.5000000 -0.0000000 0.1860847), wk = 0.0032258 k( 251) = ( 0.5000000 -0.0000000 0.1744544), wk = 0.0032258 k( 252) = ( 0.5000000 -0.0000000 0.1628241), wk = 0.0032258 k( 253) = ( 0.5000000 -0.0000000 0.1511938), wk = 0.0032258 k( 254) = ( 0.5000000 -0.0000000 0.1395635), wk = 0.0032258 k( 255) = ( 0.5000000 -0.0000000 0.1279332), wk = 0.0032258 k( 256) = ( 0.5000000 -0.0000000 0.1163029), wk = 0.0032258 k( 257) = ( 0.5000000 -0.0000000 0.1046726), wk = 0.0032258 k( 258) = ( 0.5000000 -0.0000000 0.0930424), wk = 0.0032258 k( 259) = ( 0.5000000 -0.0000000 0.0814121), wk = 0.0032258 k( 260) = ( 0.5000000 -0.0000000 0.0697818), wk = 0.0032258 k( 261) = ( 0.5000000 -0.0000000 0.0581515), wk = 0.0032258 k( 262) = ( 0.5000000 -0.0000000 0.0465212), wk = 0.0032258 k( 263) = ( 0.5000000 -0.0000000 0.0348909), wk = 0.0032258 k( 264) = ( 0.5000000 -0.0000000 0.0232606), wk = 0.0032258 k( 265) = ( 0.5000000 -0.0000000 0.0116303), wk = 0.0032258 k( 266) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0032258 k( 267) = ( 0.0000000 0.0000000 0.2674968), wk = 0.0032258 k( 268) = ( 0.0116279 -0.0000000 0.2674968), wk = 0.0032258 k( 269) = ( 0.0232558 -0.0000000 0.2674968), wk = 0.0032258 k( 270) = ( 0.0348837 -0.0000000 0.2674968), wk = 0.0032258 k( 271) = ( 0.0465116 -0.0000000 0.2674968), wk = 0.0032258 k( 272) = ( 0.0581395 -0.0000000 0.2674968), wk = 0.0032258 k( 273) = ( 0.0697674 -0.0000000 0.2674968), wk = 0.0032258 k( 274) = ( 0.0813954 -0.0000000 0.2674968), wk = 0.0032258 k( 275) = ( 0.0930233 -0.0000000 0.2674968), wk = 0.0032258 k( 276) = ( 0.1046512 -0.0000000 0.2674968), wk = 0.0032258 k( 277) = ( 0.1162791 -0.0000000 0.2674968), wk = 0.0032258 k( 278) = ( 0.1279070 -0.0000000 0.2674968), wk = 0.0032258 k( 279) = ( 0.1395349 -0.0000000 0.2674968), wk = 0.0032258 k( 280) = ( 0.1511628 -0.0000000 0.2674968), wk = 0.0032258 k( 281) = ( 0.1627907 -0.0000000 0.2674968), wk = 0.0032258 k( 282) = ( 0.1744186 -0.0000000 0.2674968), wk = 0.0032258 k( 283) = ( 0.1860465 -0.0000000 0.2674968), wk = 0.0032258 k( 284) = ( 0.1976744 -0.0000000 0.2674968), wk = 0.0032258 k( 285) = ( 0.2093023 -0.0000000 0.2674968), wk = 0.0032258 k( 286) = ( 0.2209302 -0.0000000 0.2674968), wk = 0.0032258 k( 287) = ( 0.2325581 -0.0000000 0.2674968), wk = 0.0032258 k( 288) = ( 0.2441860 -0.0000000 0.2674968), wk = 0.0032258 k( 289) = ( 0.2558140 -0.0000000 0.2674968), wk = 0.0032258 k( 290) = ( 0.2674419 -0.0000000 0.2674968), wk = 0.0032258 k( 291) = ( 0.2790698 -0.0000000 0.2674968), wk = 0.0032258 k( 292) = ( 0.2906977 -0.0000000 0.2674968), wk = 0.0032258 k( 293) = ( 0.3023256 -0.0000000 0.2674968), wk = 0.0032258 k( 294) = ( 0.3139535 -0.0000000 0.2674968), wk = 0.0032258 k( 295) = ( 0.3255814 -0.0000000 0.2674968), wk = 0.0032258 k( 296) = ( 0.3372093 -0.0000000 0.2674968), wk = 0.0032258 k( 297) = ( 0.3488372 -0.0000000 0.2674968), wk = 0.0032258 k( 298) = ( 0.3604651 -0.0000000 0.2674968), wk = 0.0032258 k( 299) = ( 0.3720930 -0.0000000 0.2674968), wk = 0.0032258 k( 300) = ( 0.3837209 -0.0000000 0.2674968), wk = 0.0032258 k( 301) = ( 0.3953488 -0.0000000 0.2674968), wk = 0.0032258 k( 302) = ( 0.4069767 -0.0000000 0.2674968), wk = 0.0032258 k( 303) = ( 0.4186047 -0.0000000 0.2674968), wk = 0.0032258 k( 304) = ( 0.4302326 -0.0000000 0.2674968), wk = 0.0032258 k( 305) = ( 0.4418605 -0.0000000 0.2674968), wk = 0.0032258 k( 306) = ( 0.4534884 -0.0000000 0.2674968), wk = 0.0032258 k( 307) = ( 0.4651163 -0.0000000 0.2674968), wk = 0.0032258 k( 308) = ( 0.4767442 -0.0000000 0.2674968), wk = 0.0032258 k( 309) = ( 0.4883721 -0.0000000 0.2674968), wk = 0.0032258 k( 310) = ( 0.5000000 -0.0000000 0.2674968), wk = 0.0032258 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032258 k( 2) = ( 0.0000000 0.0000000 0.0217391), wk = 0.0032258 k( 3) = ( 0.0000000 0.0000000 0.0434783), wk = 0.0032258 k( 4) = ( 0.0000000 0.0000000 0.0652174), wk = 0.0032258 k( 5) = ( 0.0000000 0.0000000 0.0869565), wk = 0.0032258 k( 6) = ( 0.0000000 0.0000000 0.1086956), wk = 0.0032258 k( 7) = ( 0.0000000 0.0000000 0.1304348), wk = 0.0032258 k( 8) = ( 0.0000000 0.0000000 0.1521739), wk = 0.0032258 k( 9) = ( 0.0000000 0.0000000 0.1739130), wk = 0.0032258 k( 10) = ( 0.0000000 0.0000000 0.1956522), wk = 0.0032258 k( 11) = ( 0.0000000 0.0000000 0.2173913), wk = 0.0032258 k( 12) = ( 0.0000000 0.0000000 0.2391304), wk = 0.0032258 k( 13) = ( 0.0000000 0.0000000 0.2608696), wk = 0.0032258 k( 14) = ( 0.0000000 0.0000000 0.2826087), wk = 0.0032258 k( 15) = ( 0.0000000 0.0000000 0.3043478), wk = 0.0032258 k( 16) = ( 0.0000000 0.0000000 0.3260870), wk = 0.0032258 k( 17) = ( 0.0000000 0.0000000 0.3478261), wk = 0.0032258 k( 18) = ( 0.0000000 0.0000000 0.3695652), wk = 0.0032258 k( 19) = ( 0.0000000 0.0000000 0.3913044), wk = 0.0032258 k( 20) = ( 0.0000000 0.0000000 0.4130435), wk = 0.0032258 k( 21) = ( 0.0000000 0.0000000 0.4347826), wk = 0.0032258 k( 22) = ( 0.0000000 0.0000000 0.4565217), wk = 0.0032258 k( 23) = ( 0.0000000 0.0000000 0.4782609), wk = 0.0032258 k( 24) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032258 k( 25) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032258 k( 26) = ( 0.0000000 0.0124255 0.5052995), wk = 0.0032258 k( 27) = ( 0.0000000 0.0248509 0.5105989), wk = 0.0032258 k( 28) = ( 0.0000000 0.0372764 0.5158984), wk = 0.0032258 k( 29) = ( 0.0000000 0.0497019 0.5211979), wk = 0.0032258 k( 30) = ( 0.0000000 0.0621274 0.5264973), wk = 0.0032258 k( 31) = ( 0.0000000 0.0745528 0.5317968), wk = 0.0032258 k( 32) = ( 0.0000000 0.0869783 0.5370963), wk = 0.0032258 k( 33) = ( 0.0000000 0.0994038 0.5423957), wk = 0.0032258 k( 34) = ( 0.0000000 0.1118293 0.5476952), wk = 0.0032258 k( 35) = ( 0.0000000 0.1242547 0.5529947), wk = 0.0032258 k( 36) = ( 0.0000000 0.1366802 0.5582941), wk = 0.0032258 k( 37) = ( 0.0000000 0.1491057 0.5635936), wk = 0.0032258 k( 38) = ( 0.0000000 0.1615312 0.5688931), wk = 0.0032258 k( 39) = ( 0.0000000 0.1739566 0.5741925), wk = 0.0032258 k( 40) = ( 0.0000000 0.1863821 0.5794920), wk = 0.0032258 k( 41) = ( 0.0000000 0.1988076 0.5847914), wk = 0.0032258 k( 42) = ( 0.0000000 0.2112330 0.5900909), wk = 0.0032258 k( 43) = ( 0.0000000 0.2236585 0.5953904), wk = 0.0032258 k( 44) = ( 0.0000000 0.2360840 0.6006898), wk = 0.0032258 k( 45) = ( 0.0000000 0.2485095 0.6059893), wk = 0.0032258 k( 46) = ( 0.0000000 0.2609349 0.6112888), wk = 0.0032258 k( 47) = ( 0.0000000 0.2733604 0.6165882), wk = 0.0032258 k( 48) = ( 0.0000000 0.2857859 0.6218877), wk = 0.0032258 k( 49) = ( 0.0000000 0.2982114 0.6271872), wk = 0.0032258 k( 50) = ( 0.0000000 0.3106368 0.6324866), wk = 0.0032258 k( 51) = ( 0.0000000 0.3230623 0.6377861), wk = 0.0032258 k( 52) = ( 0.0000000 0.3354878 0.6430856), wk = 0.0032258 k( 53) = ( 0.0000000 0.3479133 0.6483850), wk = 0.0032258 k( 54) = ( 0.0000000 0.3603387 0.6536845), wk = 0.0032258 k( 55) = ( 0.0000000 0.3727642 0.6589840), wk = 0.0032258 k( 56) = ( 0.0000000 0.3851897 0.6642834), wk = 0.0032258 k( 57) = ( 0.0000000 0.3976151 0.6695829), wk = 0.0032258 k( 58) = ( 0.0000000 0.4100406 0.6748824), wk = 0.0032258 k( 59) = ( 0.0000000 0.4224661 0.6801818), wk = 0.0032258 k( 60) = ( 0.0000000 0.4348916 0.6854813), wk = 0.0032258 k( 61) = ( 0.0000000 0.4473170 0.6907808), wk = 0.0032258 k( 62) = ( 0.0000000 0.4597425 0.6960802), wk = 0.0032258 k( 63) = ( 0.0000000 0.4597425 0.6960802), wk = 0.0032258 k( 64) = ( 0.0000000 0.4634023 0.6782548), wk = 0.0032258 k( 65) = ( 0.0000000 0.4670621 0.6604293), wk = 0.0032258 k( 66) = ( 0.0000000 0.4707218 0.6426038), wk = 0.0032258 k( 67) = ( 0.0000000 0.4743816 0.6247783), wk = 0.0032258 k( 68) = ( 0.0000000 0.4780414 0.6069528), wk = 0.0032258 k( 69) = ( 0.0000000 0.4817011 0.5891274), wk = 0.0032258 k( 70) = ( 0.0000000 0.4853609 0.5713019), wk = 0.0032258 k( 71) = ( 0.0000000 0.4890207 0.5534764), wk = 0.0032258 k( 72) = ( 0.0000000 0.4926805 0.5356509), wk = 0.0032258 k( 73) = ( 0.0000000 0.4963402 0.5178255), wk = 0.0032258 k( 74) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0032258 k( 75) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0032258 k( 76) = ( 0.0116279 0.5000000 0.5000000), wk = 0.0032258 k( 77) = ( 0.0232558 0.5000000 0.5000000), wk = 0.0032258 k( 78) = ( 0.0348837 0.5000000 0.5000000), wk = 0.0032258 k( 79) = ( 0.0465116 0.5000000 0.5000000), wk = 0.0032258 k( 80) = ( 0.0581395 0.5000000 0.5000000), wk = 0.0032258 k( 81) = ( 0.0697674 0.5000000 0.5000000), wk = 0.0032258 k( 82) = ( 0.0813954 0.5000000 0.5000000), wk = 0.0032258 k( 83) = ( 0.0930233 0.5000000 0.5000000), wk = 0.0032258 k( 84) = ( 0.1046512 0.5000000 0.5000000), wk = 0.0032258 k( 85) = ( 0.1162791 0.5000000 0.5000000), wk = 0.0032258 k( 86) = ( 0.1279070 0.5000000 0.5000000), wk = 0.0032258 k( 87) = ( 0.1395349 0.5000000 0.5000000), wk = 0.0032258 k( 88) = ( 0.1511628 0.5000000 0.5000000), wk = 0.0032258 k( 89) = ( 0.1627907 0.5000000 0.5000000), wk = 0.0032258 k( 90) = ( 0.1744186 0.5000000 0.5000000), wk = 0.0032258 k( 91) = ( 0.1860465 0.5000000 0.5000000), wk = 0.0032258 k( 92) = ( 0.1976744 0.5000000 0.5000000), wk = 0.0032258 k( 93) = ( 0.2093023 0.5000000 0.5000000), wk = 0.0032258 k( 94) = ( 0.2209302 0.5000000 0.5000000), wk = 0.0032258 k( 95) = ( 0.2325581 0.5000000 0.5000000), wk = 0.0032258 k( 96) = ( 0.2441860 0.5000000 0.5000000), wk = 0.0032258 k( 97) = ( 0.2558140 0.5000000 0.5000000), wk = 0.0032258 k( 98) = ( 0.2674419 0.5000000 0.5000000), wk = 0.0032258 k( 99) = ( 0.2790698 0.5000000 0.5000000), wk = 0.0032258 k( 100) = ( 0.2906977 0.5000000 0.5000000), wk = 0.0032258 k( 101) = ( 0.3023256 0.5000000 0.5000000), wk = 0.0032258 k( 102) = ( 0.3139535 0.5000000 0.5000000), wk = 0.0032258 k( 103) = ( 0.3255814 0.5000000 0.5000000), wk = 0.0032258 k( 104) = ( 0.3372093 0.5000000 0.5000000), wk = 0.0032258 k( 105) = ( 0.3488372 0.5000000 0.5000000), wk = 0.0032258 k( 106) = ( 0.3604651 0.5000000 0.5000000), wk = 0.0032258 k( 107) = ( 0.3720930 0.5000000 0.5000000), wk = 0.0032258 k( 108) = ( 0.3837209 0.5000000 0.5000000), wk = 0.0032258 k( 109) = ( 0.3953488 0.5000000 0.5000000), wk = 0.0032258 k( 110) = ( 0.4069767 0.5000000 0.5000000), wk = 0.0032258 k( 111) = ( 0.4186047 0.5000000 0.5000000), wk = 0.0032258 k( 112) = ( 0.4302326 0.5000000 0.5000000), wk = 0.0032258 k( 113) = ( 0.4418605 0.5000000 0.5000000), wk = 0.0032258 k( 114) = ( 0.4534884 0.5000000 0.5000000), wk = 0.0032258 k( 115) = ( 0.4651163 0.5000000 0.5000000), wk = 0.0032258 k( 116) = ( 0.4767442 0.5000000 0.5000000), wk = 0.0032258 k( 117) = ( 0.4883721 0.5000000 0.5000000), wk = 0.0032258 k( 118) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032258 k( 119) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032258 k( 120) = ( 0.5000000 0.5036598 0.4821745), wk = 0.0032258 k( 121) = ( 0.5000000 0.5073195 0.4643490), wk = 0.0032258 k( 122) = ( 0.5000000 0.5109793 0.4465236), wk = 0.0032258 k( 123) = ( 0.5000000 0.5146391 0.4286981), wk = 0.0032258 k( 124) = ( 0.5000000 0.5182989 0.4108726), wk = 0.0032258 k( 125) = ( 0.5000000 0.5219586 0.3930472), wk = 0.0032258 k( 126) = ( 0.5000000 0.5256184 0.3752217), wk = 0.0032258 k( 127) = ( 0.5000000 0.5292782 0.3573962), wk = 0.0032258 k( 128) = ( 0.5000000 0.5329379 0.3395707), wk = 0.0032258 k( 129) = ( 0.5000000 0.5365977 0.3217452), wk = 0.0032258 k( 130) = ( 0.5000000 0.5402575 0.3039198), wk = 0.0032258 k( 131) = ( 0.5000000 0.5402575 0.3039198), wk = 0.0032258 k( 132) = ( 0.5000000 0.5373819 0.2822112), wk = 0.0032258 k( 133) = ( 0.5000000 0.5345064 0.2605027), wk = 0.0032258 k( 134) = ( 0.5000000 0.5316309 0.2387941), wk = 0.0032258 k( 135) = ( 0.5000000 0.5287553 0.2170855), wk = 0.0032258 k( 136) = ( 0.5000000 0.5258798 0.1953770), wk = 0.0032258 k( 137) = ( 0.5000000 0.5230043 0.1736684), wk = 0.0032258 k( 138) = ( 0.5000000 0.5201287 0.1519599), wk = 0.0032258 k( 139) = ( 0.5000000 0.5172532 0.1302513), wk = 0.0032258 k( 140) = ( 0.5000000 0.5143777 0.1085428), wk = 0.0032258 k( 141) = ( 0.5000000 0.5115021 0.0868342), wk = 0.0032258 k( 142) = ( 0.5000000 0.5086266 0.0651257), wk = 0.0032258 k( 143) = ( 0.5000000 0.5057511 0.0434171), wk = 0.0032258 k( 144) = ( 0.5000000 0.5028755 0.0217085), wk = 0.0032258 k( 145) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032258 k( 146) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032258 k( 147) = ( 0.4883721 0.5000000 -0.0000000), wk = 0.0032258 k( 148) = ( 0.4767442 0.5000000 -0.0000000), wk = 0.0032258 k( 149) = ( 0.4651163 0.5000000 -0.0000000), wk = 0.0032258 k( 150) = ( 0.4534884 0.5000000 -0.0000000), wk = 0.0032258 k( 151) = ( 0.4418605 0.5000000 0.0000000), wk = 0.0032258 k( 152) = ( 0.4302326 0.5000000 0.0000000), wk = 0.0032258 k( 153) = ( 0.4186047 0.5000000 0.0000000), wk = 0.0032258 k( 154) = ( 0.4069767 0.5000000 0.0000000), wk = 0.0032258 k( 155) = ( 0.3953488 0.5000000 0.0000000), wk = 0.0032258 k( 156) = ( 0.3837209 0.5000000 0.0000000), wk = 0.0032258 k( 157) = ( 0.3720930 0.5000000 0.0000000), wk = 0.0032258 k( 158) = ( 0.3604651 0.5000000 -0.0000000), wk = 0.0032258 k( 159) = ( 0.3488372 0.5000000 -0.0000000), wk = 0.0032258 k( 160) = ( 0.3372093 0.5000000 -0.0000000), wk = 0.0032258 k( 161) = ( 0.3255814 0.5000000 -0.0000000), wk = 0.0032258 k( 162) = ( 0.3139535 0.5000000 -0.0000000), wk = 0.0032258 k( 163) = ( 0.3023256 0.5000000 -0.0000000), wk = 0.0032258 k( 164) = ( 0.2906977 0.5000000 -0.0000000), wk = 0.0032258 k( 165) = ( 0.2790698 0.5000000 -0.0000000), wk = 0.0032258 k( 166) = ( 0.2674419 0.5000000 0.0000000), wk = 0.0032258 k( 167) = ( 0.2558140 0.5000000 0.0000000), wk = 0.0032258 k( 168) = ( 0.2441860 0.5000000 0.0000000), wk = 0.0032258 k( 169) = ( 0.2325581 0.5000000 0.0000000), wk = 0.0032258 k( 170) = ( 0.2209302 0.5000000 0.0000000), wk = 0.0032258 k( 171) = ( 0.2093023 0.5000000 0.0000000), wk = 0.0032258 k( 172) = ( 0.1976744 0.5000000 0.0000000), wk = 0.0032258 k( 173) = ( 0.1860465 0.5000000 0.0000000), wk = 0.0032258 k( 174) = ( 0.1744186 0.5000000 0.0000000), wk = 0.0032258 k( 175) = ( 0.1627907 0.5000000 0.0000000), wk = 0.0032258 k( 176) = ( 0.1511628 0.5000000 0.0000000), wk = 0.0032258 k( 177) = ( 0.1395349 0.5000000 0.0000000), wk = 0.0032258 k( 178) = ( 0.1279070 0.5000000 0.0000000), wk = 0.0032258 k( 179) = ( 0.1162791 0.5000000 0.0000000), wk = 0.0032258 k( 180) = ( 0.1046512 0.5000000 0.0000000), wk = 0.0032258 k( 181) = ( 0.0930233 0.5000000 0.0000000), wk = 0.0032258 k( 182) = ( 0.0813954 0.5000000 0.0000000), wk = 0.0032258 k( 183) = ( 0.0697674 0.5000000 0.0000000), wk = 0.0032258 k( 184) = ( 0.0581395 0.5000000 0.0000000), wk = 0.0032258 k( 185) = ( 0.0465116 0.5000000 0.0000000), wk = 0.0032258 k( 186) = ( 0.0348837 0.5000000 0.0000000), wk = 0.0032258 k( 187) = ( 0.0232558 0.5000000 0.0000000), wk = 0.0032258 k( 188) = ( 0.0116279 0.5000000 0.0000000), wk = 0.0032258 k( 189) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032258 k( 190) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032258 k( 191) = ( 0.0000000 0.5028755 0.0217086), wk = 0.0032258 k( 192) = ( 0.0000000 0.5057511 0.0434171), wk = 0.0032258 k( 193) = ( 0.0000000 0.5086266 0.0651257), wk = 0.0032258 k( 194) = ( 0.0000000 0.5115021 0.0868342), wk = 0.0032258 k( 195) = ( 0.0000000 0.5143777 0.1085428), wk = 0.0032258 k( 196) = ( 0.0000000 0.5172532 0.1302513), wk = 0.0032258 k( 197) = ( 0.0000000 0.5201287 0.1519599), wk = 0.0032258 k( 198) = ( 0.0000000 0.5230043 0.1736684), wk = 0.0032258 k( 199) = ( 0.0000000 0.5258798 0.1953770), wk = 0.0032258 k( 200) = ( 0.0000000 0.5287553 0.2170855), wk = 0.0032258 k( 201) = ( 0.0000000 0.5316309 0.2387941), wk = 0.0032258 k( 202) = ( 0.0000000 0.5345064 0.2605027), wk = 0.0032258 k( 203) = ( 0.0000000 0.5373819 0.2822112), wk = 0.0032258 k( 204) = ( 0.0000000 0.5402575 0.3039198), wk = 0.0032258 k( 205) = ( 0.5000000 0.4597425 0.6960802), wk = 0.0032258 k( 206) = ( 0.5000000 0.4473170 0.6907808), wk = 0.0032258 k( 207) = ( 0.5000000 0.4348916 0.6854813), wk = 0.0032258 k( 208) = ( 0.5000000 0.4224661 0.6801818), wk = 0.0032258 k( 209) = ( 0.5000000 0.4100406 0.6748824), wk = 0.0032258 k( 210) = ( 0.5000000 0.3976151 0.6695829), wk = 0.0032258 k( 211) = ( 0.5000000 0.3851897 0.6642834), wk = 0.0032258 k( 212) = ( 0.5000000 0.3727642 0.6589840), wk = 0.0032258 k( 213) = ( 0.5000000 0.3603387 0.6536845), wk = 0.0032258 k( 214) = ( 0.5000000 0.3479133 0.6483850), wk = 0.0032258 k( 215) = ( 0.5000000 0.3354878 0.6430856), wk = 0.0032258 k( 216) = ( 0.5000000 0.3230623 0.6377861), wk = 0.0032258 k( 217) = ( 0.5000000 0.3106368 0.6324866), wk = 0.0032258 k( 218) = ( 0.5000000 0.2982114 0.6271872), wk = 0.0032258 k( 219) = ( 0.5000000 0.2857859 0.6218877), wk = 0.0032258 k( 220) = ( 0.5000000 0.2733604 0.6165882), wk = 0.0032258 k( 221) = ( 0.5000000 0.2609349 0.6112888), wk = 0.0032258 k( 222) = ( 0.5000000 0.2485095 0.6059893), wk = 0.0032258 k( 223) = ( 0.5000000 0.2360840 0.6006898), wk = 0.0032258 k( 224) = ( 0.5000000 0.2236585 0.5953904), wk = 0.0032258 k( 225) = ( 0.5000000 0.2112330 0.5900909), wk = 0.0032258 k( 226) = ( 0.5000000 0.1988076 0.5847914), wk = 0.0032258 k( 227) = ( 0.5000000 0.1863821 0.5794920), wk = 0.0032258 k( 228) = ( 0.5000000 0.1739566 0.5741925), wk = 0.0032258 k( 229) = ( 0.5000000 0.1615312 0.5688931), wk = 0.0032258 k( 230) = ( 0.5000000 0.1491057 0.5635936), wk = 0.0032258 k( 231) = ( 0.5000000 0.1366802 0.5582941), wk = 0.0032258 k( 232) = ( 0.5000000 0.1242547 0.5529947), wk = 0.0032258 k( 233) = ( 0.5000000 0.1118293 0.5476952), wk = 0.0032258 k( 234) = ( 0.5000000 0.0994038 0.5423957), wk = 0.0032258 k( 235) = ( 0.5000000 0.0869783 0.5370963), wk = 0.0032258 k( 236) = ( 0.5000000 0.0745528 0.5317968), wk = 0.0032258 k( 237) = ( 0.5000000 0.0621274 0.5264973), wk = 0.0032258 k( 238) = ( 0.5000000 0.0497019 0.5211979), wk = 0.0032258 k( 239) = ( 0.5000000 0.0372764 0.5158984), wk = 0.0032258 k( 240) = ( 0.5000000 0.0248509 0.5105989), wk = 0.0032258 k( 241) = ( 0.5000000 0.0124255 0.5052995), wk = 0.0032258 k( 242) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0032258 k( 243) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0032258 k( 244) = ( 0.5000000 0.0000000 0.4782609), wk = 0.0032258 k( 245) = ( 0.5000000 0.0000000 0.4565217), wk = 0.0032258 k( 246) = ( 0.5000000 0.0000000 0.4347826), wk = 0.0032258 k( 247) = ( 0.5000000 0.0000000 0.4130435), wk = 0.0032258 k( 248) = ( 0.5000000 0.0000000 0.3913044), wk = 0.0032258 k( 249) = ( 0.5000000 0.0000000 0.3695652), wk = 0.0032258 k( 250) = ( 0.5000000 0.0000000 0.3478261), wk = 0.0032258 k( 251) = ( 0.5000000 0.0000000 0.3260870), wk = 0.0032258 k( 252) = ( 0.5000000 0.0000000 0.3043478), wk = 0.0032258 k( 253) = ( 0.5000000 0.0000000 0.2826087), wk = 0.0032258 k( 254) = ( 0.5000000 0.0000000 0.2608696), wk = 0.0032258 k( 255) = ( 0.5000000 0.0000000 0.2391304), wk = 0.0032258 k( 256) = ( 0.5000000 0.0000000 0.2173913), wk = 0.0032258 k( 257) = ( 0.5000000 0.0000000 0.1956522), wk = 0.0032258 k( 258) = ( 0.5000000 0.0000000 0.1739130), wk = 0.0032258 k( 259) = ( 0.5000000 0.0000000 0.1521739), wk = 0.0032258 k( 260) = ( 0.5000000 0.0000000 0.1304348), wk = 0.0032258 k( 261) = ( 0.5000000 0.0000000 0.1086957), wk = 0.0032258 k( 262) = ( 0.5000000 0.0000000 0.0869565), wk = 0.0032258 k( 263) = ( 0.5000000 0.0000000 0.0652174), wk = 0.0032258 k( 264) = ( 0.5000000 0.0000000 0.0434783), wk = 0.0032258 k( 265) = ( 0.5000000 0.0000000 0.0217391), wk = 0.0032258 k( 266) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0032258 k( 267) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032258 k( 268) = ( 0.0116279 0.0000000 0.5000000), wk = 0.0032258 k( 269) = ( 0.0232558 0.0000000 0.5000000), wk = 0.0032258 k( 270) = ( 0.0348837 -0.0000000 0.5000000), wk = 0.0032258 k( 271) = ( 0.0465116 0.0000000 0.5000000), wk = 0.0032258 k( 272) = ( 0.0581395 0.0000000 0.5000000), wk = 0.0032258 k( 273) = ( 0.0697674 -0.0000000 0.5000000), wk = 0.0032258 k( 274) = ( 0.0813954 0.0000000 0.5000000), wk = 0.0032258 k( 275) = ( 0.0930233 0.0000000 0.5000000), wk = 0.0032258 k( 276) = ( 0.1046512 0.0000000 0.5000000), wk = 0.0032258 k( 277) = ( 0.1162791 0.0000000 0.5000000), wk = 0.0032258 k( 278) = ( 0.1279070 0.0000000 0.5000000), wk = 0.0032258 k( 279) = ( 0.1395349 -0.0000000 0.5000000), wk = 0.0032258 k( 280) = ( 0.1511628 0.0000000 0.5000000), wk = 0.0032258 k( 281) = ( 0.1627907 0.0000000 0.5000000), wk = 0.0032258 k( 282) = ( 0.1744186 0.0000000 0.5000000), wk = 0.0032258 k( 283) = ( 0.1860465 -0.0000000 0.5000000), wk = 0.0032258 k( 284) = ( 0.1976744 0.0000000 0.5000000), wk = 0.0032258 k( 285) = ( 0.2093023 0.0000000 0.5000000), wk = 0.0032258 k( 286) = ( 0.2209302 0.0000000 0.5000000), wk = 0.0032258 k( 287) = ( 0.2325581 0.0000000 0.5000000), wk = 0.0032258 k( 288) = ( 0.2441860 0.0000000 0.5000000), wk = 0.0032258 k( 289) = ( 0.2558140 0.0000000 0.5000000), wk = 0.0032258 k( 290) = ( 0.2674419 0.0000000 0.5000000), wk = 0.0032258 k( 291) = ( 0.2790698 -0.0000000 0.5000000), wk = 0.0032258 k( 292) = ( 0.2906977 0.0000000 0.5000000), wk = 0.0032258 k( 293) = ( 0.3023256 0.0000000 0.5000000), wk = 0.0032258 k( 294) = ( 0.3139535 0.0000000 0.5000000), wk = 0.0032258 k( 295) = ( 0.3255814 0.0000000 0.5000000), wk = 0.0032258 k( 296) = ( 0.3372093 0.0000000 0.5000000), wk = 0.0032258 k( 297) = ( 0.3488372 0.0000000 0.5000000), wk = 0.0032258 k( 298) = ( 0.3604651 0.0000000 0.5000000), wk = 0.0032258 k( 299) = ( 0.3720930 -0.0000000 0.5000000), wk = 0.0032258 k( 300) = ( 0.3837209 0.0000000 0.5000000), wk = 0.0032258 k( 301) = ( 0.3953488 0.0000000 0.5000000), wk = 0.0032258 k( 302) = ( 0.4069767 0.0000000 0.5000000), wk = 0.0032258 k( 303) = ( 0.4186047 0.0000000 0.5000000), wk = 0.0032258 k( 304) = ( 0.4302326 -0.0000000 0.5000000), wk = 0.0032258 k( 305) = ( 0.4418605 0.0000000 0.5000000), wk = 0.0032258 k( 306) = ( 0.4534884 0.0000000 0.5000000), wk = 0.0032258 k( 307) = ( 0.4651163 0.0000000 0.5000000), wk = 0.0032258 k( 308) = ( 0.4767442 0.0000000 0.5000000), wk = 0.0032258 k( 309) = ( 0.4883721 0.0000000 0.5000000), wk = 0.0032258 k( 310) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0032258 Dense grid: 66765 G-vectors FFT dimensions: ( 40, 45, 80) Smooth grid: 32349 G-vectors FFT dimensions: ( 32, 36, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.29 Mb ( 254, 76) NL pseudopotentials 0.29 Mb ( 127, 152) Each V/rho on FFT grid 0.08 Mb ( 5400) Each G-vector array 0.01 Mb ( 1856) G-vector shells 0.01 Mb ( 1856) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.18 Mb ( 254, 304) Each subspace H/S matrix 0.09 Mb ( 76, 76) Each matrix 0.35 Mb ( 152, 2, 76) Check: negative/imaginary core charge= -0.000005 0.000000 The potential is recalculated from file : ./MoO3.save/charge-density.dat Starting wfc are 88 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.5 secs Computing kpt #: 2 total cpu time spent up to now is 3.4 secs Computing kpt #: 3 total cpu time spent up to now is 4.2 secs Computing kpt #: 4 total cpu time spent up to now is 5.0 secs Computing kpt #: 5 total cpu time spent up to now is 5.9 secs Computing kpt #: 6 total cpu time spent up to now is 6.7 secs Computing kpt #: 7 total cpu time spent up to now is 7.6 secs Computing kpt #: 8 total cpu time spent up to now is 8.5 secs Computing kpt #: 9 total cpu time spent up to now is 9.3 secs Computing kpt #: 10 total cpu time spent up to now is 10.3 secs Computing kpt #: 11 total cpu time spent up to now is 11.2 secs Computing kpt #: 12 total cpu time spent up to now is 12.0 secs Computing kpt #: 13 total cpu time spent up to now is 12.9 secs Computing kpt #: 14 total cpu time spent up to now is 13.8 secs Computing kpt #: 15 total cpu time spent up to now is 14.6 secs Computing kpt #: 16 total cpu time spent up to now is 15.5 secs Computing kpt #: 17 total cpu time spent up to now is 16.4 secs Computing kpt #: 18 total cpu time spent up to now is 17.2 secs Computing kpt #: 19 total cpu time spent up to now is 18.2 secs Computing kpt #: 20 total cpu time spent up to now is 19.0 secs Computing kpt #: 21 total cpu time spent up to now is 19.9 secs Computing kpt #: 22 total cpu time spent up to now is 20.7 secs Computing kpt #: 23 total cpu time spent up to now is 21.6 secs Computing kpt #: 24 total cpu time spent up to now is 22.4 secs Computing kpt #: 25 total cpu time spent up to now is 23.3 secs Computing kpt #: 26 total cpu time spent up to now is 24.2 secs Computing kpt #: 27 total cpu time spent up to now is 25.0 secs Computing kpt #: 28 total cpu time spent up to now is 25.9 secs Computing kpt #: 29 total cpu time spent up to now is 26.7 secs Computing kpt #: 30 total cpu time spent up to now is 27.5 secs Computing kpt #: 31 total cpu time spent up to now is 28.3 secs Computing kpt #: 32 total cpu time spent up to now is 29.2 secs Computing kpt #: 33 total cpu time spent up to now is 30.0 secs Computing kpt #: 34 total cpu time spent up to now is 30.8 secs Computing kpt #: 35 total cpu time spent up to now is 31.6 secs Computing kpt #: 36 total cpu time spent up to now is 32.4 secs Computing kpt #: 37 total cpu time spent up to now is 33.2 secs Computing kpt #: 38 total cpu time spent up to now is 34.0 secs Computing kpt #: 39 total cpu time spent up to now is 34.8 secs Computing kpt #: 40 total cpu time spent up to now is 35.6 secs Computing kpt #: 41 total cpu time spent up to now is 36.4 secs Computing kpt #: 42 total cpu time spent up to now is 37.2 secs Computing kpt #: 43 total cpu time spent up to now is 38.0 secs Computing kpt #: 44 total cpu time spent up to now is 38.7 secs Computing kpt #: 45 total cpu time spent up to now is 39.5 secs Computing kpt #: 46 total cpu time spent up to now is 40.3 secs Computing kpt #: 47 total cpu time spent up to now is 41.1 secs Computing kpt #: 48 total cpu time spent up to now is 41.9 secs Computing kpt #: 49 total cpu time spent up to now is 42.7 secs Computing kpt #: 50 total cpu time spent up to now is 43.5 secs Computing kpt #: 51 total cpu time spent up to now is 44.2 secs Computing kpt #: 52 total cpu time spent up to now is 45.0 secs Computing kpt #: 53 total cpu time spent up to now is 45.8 secs Computing kpt #: 54 total cpu time spent up to now is 46.6 secs Computing kpt #: 55 total cpu time spent up to now is 47.3 secs Computing kpt #: 56 total cpu time spent up to now is 48.1 secs Computing kpt #: 57 total cpu time spent up to now is 48.9 secs Computing kpt #: 58 total cpu time spent up to now is 49.7 secs Computing kpt #: 59 total cpu time spent up to now is 50.4 secs Computing kpt #: 60 total cpu time spent up to now is 51.2 secs Computing kpt #: 61 total cpu time spent up to now is 52.0 secs Computing kpt #: 62 total cpu time spent up to now is 52.8 secs Computing kpt #: 63 total cpu time spent up to now is 53.6 secs Computing kpt #: 64 total cpu time spent up to now is 54.3 secs Computing kpt #: 65 total cpu time spent up to now is 55.1 secs Computing kpt #: 66 total cpu time spent up to now is 55.9 secs Computing kpt #: 67 total cpu time spent up to now is 56.7 secs Computing kpt #: 68 total cpu time spent up to now is 57.4 secs Computing kpt #: 69 total cpu time spent up to now is 58.2 secs Computing kpt #: 70 total cpu time spent up to now is 59.0 secs Computing kpt #: 71 total cpu time spent up to now is 59.7 secs Computing kpt #: 72 total cpu time spent up to now is 60.5 secs Computing kpt #: 73 total cpu time spent up to now is 61.2 secs Computing kpt #: 74 total cpu time spent up to now is 62.0 secs Computing kpt #: 75 total cpu time spent up to now is 62.8 secs Computing kpt #: 76 total cpu time spent up to now is 63.6 secs Computing kpt #: 77 total cpu time spent up to now is 64.4 secs Computing kpt #: 78 total cpu time spent up to now is 65.2 secs Computing kpt #: 79 total cpu time spent up to now is 66.0 secs Computing kpt #: 80 total cpu time spent up to now is 66.8 secs Computing kpt #: 81 total cpu time spent up to now is 67.6 secs Computing kpt #: 82 total cpu time spent up to now is 68.4 secs Computing kpt #: 83 total cpu time spent up to now is 69.2 secs Computing kpt #: 84 total cpu time spent up to now is 70.0 secs Computing kpt #: 85 total cpu time spent up to now is 70.8 secs Computing kpt #: 86 total cpu time spent up to now is 71.6 secs Computing kpt #: 87 total cpu time spent up to now is 72.4 secs Computing kpt #: 88 total cpu time spent up to now is 73.2 secs Computing kpt #: 89 total cpu time spent up to now is 74.0 secs Computing kpt #: 90 total cpu time spent up to now is 74.8 secs Computing kpt #: 91 total cpu time spent up to now is 75.5 secs Computing kpt #: 92 total cpu time spent up to now is 76.2 secs Computing kpt #: 93 total cpu time spent up to now is 76.9 secs Computing kpt #: 94 total cpu time spent up to now is 77.7 secs Computing kpt #: 95 total cpu time spent up to now is 78.5 secs Computing kpt #: 96 total cpu time spent up to now is 79.3 secs Computing kpt #: 97 total cpu time spent up to now is 80.0 secs Computing kpt #: 98 total cpu time spent up to now is 80.8 secs Computing kpt #: 99 total cpu time spent up to now is 81.6 secs Computing kpt #: 100 total cpu time spent up to now is 82.4 secs Computing kpt #: 101 total cpu time spent up to now is 83.2 secs Computing kpt #: 102 total cpu time spent up to now is 84.0 secs Computing kpt #: 103 total cpu time spent up to now is 84.7 secs Computing kpt #: 104 total cpu time spent up to now is 85.5 secs Computing kpt #: 105 total cpu time spent up to now is 86.3 secs Computing kpt #: 106 total cpu time spent up to now is 87.1 secs Computing kpt #: 107 total cpu time spent up to now is 87.9 secs Computing kpt #: 108 total cpu time spent up to now is 88.6 secs Computing kpt #: 109 total cpu time spent up to now is 89.4 secs Computing kpt #: 110 total cpu time spent up to now is 90.2 secs Computing kpt #: 111 total cpu time spent up to now is 90.9 secs Computing kpt #: 112 total cpu time spent up to now is 91.7 secs Computing kpt #: 113 total cpu time spent up to now is 92.4 secs Computing kpt #: 114 total cpu time spent up to now is 93.2 secs Computing kpt #: 115 total cpu time spent up to now is 93.9 secs Computing kpt #: 116 total cpu time spent up to now is 94.7 secs Computing kpt #: 117 total cpu time spent up to now is 95.4 secs Computing kpt #: 118 total cpu time spent up to now is 96.1 secs Computing kpt #: 119 total cpu time spent up to now is 96.8 secs Computing kpt #: 120 total cpu time spent up to now is 97.5 secs Computing kpt #: 121 total cpu time spent up to now is 98.3 secs Computing kpt #: 122 total cpu time spent up to now is 99.1 secs Computing kpt #: 123 total cpu time spent up to now is 100.0 secs Computing kpt #: 124 total cpu time spent up to now is 100.7 secs Computing kpt #: 125 total cpu time spent up to now is 101.4 secs Computing kpt #: 126 total cpu time spent up to now is 102.1 secs Computing kpt #: 127 total cpu time spent up to now is 102.9 secs Computing kpt #: 128 total cpu time spent up to now is 103.6 secs Computing kpt #: 129 total cpu time spent up to now is 104.3 secs Computing kpt #: 130 total cpu time spent up to now is 105.0 secs Computing kpt #: 131 total cpu time spent up to now is 105.7 secs Computing kpt #: 132 total cpu time spent up to now is 106.4 secs Computing kpt #: 133 total cpu time spent up to now is 107.1 secs Computing kpt #: 134 total cpu time spent up to now is 107.8 secs Computing kpt #: 135 total cpu time spent up to now is 108.5 secs Computing kpt #: 136 total cpu time spent up to now is 109.2 secs Computing kpt #: 137 total cpu time spent up to now is 109.9 secs Computing kpt #: 138 total cpu time spent up to now is 110.6 secs Computing kpt #: 139 total cpu time spent up to now is 111.3 secs Computing kpt #: 140 total cpu time spent up to now is 112.0 secs Computing kpt #: 141 total cpu time spent up to now is 112.7 secs Computing kpt #: 142 total cpu time spent up to now is 113.4 secs Computing kpt #: 143 total cpu time spent up to now is 114.1 secs Computing kpt #: 144 total cpu time spent up to now is 114.8 secs Computing kpt #: 145 total cpu time spent up to now is 115.5 secs Computing kpt #: 146 total cpu time spent up to now is 116.2 secs Computing kpt #: 147 total cpu time spent up to now is 116.9 secs Computing kpt #: 148 total cpu time spent up to now is 117.6 secs Computing kpt #: 149 total cpu time spent up to now is 118.3 secs Computing kpt #: 150 total cpu time spent up to now is 119.0 secs Computing kpt #: 151 total cpu time spent up to now is 119.7 secs Computing kpt #: 152 total cpu time spent up to now is 120.5 secs Computing kpt #: 153 total cpu time spent up to now is 121.3 secs Computing kpt #: 154 total cpu time spent up to now is 122.0 secs Computing kpt #: 155 total cpu time spent up to now is 122.7 secs Computing kpt #: 156 total cpu time spent up to now is 123.4 secs Computing kpt #: 157 total cpu time spent up to now is 124.2 secs Computing kpt #: 158 total cpu time spent up to now is 124.9 secs Computing kpt #: 159 total cpu time spent up to now is 125.6 secs Computing kpt #: 160 total cpu time spent up to now is 126.3 secs Computing kpt #: 161 total cpu time spent up to now is 127.1 secs Computing kpt #: 162 total cpu time spent up to now is 127.8 secs Computing kpt #: 163 total cpu time spent up to now is 128.5 secs Computing kpt #: 164 total cpu time spent up to now is 129.2 secs Computing kpt #: 165 total cpu time spent up to now is 130.0 secs Computing kpt #: 166 total cpu time spent up to now is 130.7 secs Computing kpt #: 167 total cpu time spent up to now is 131.4 secs Computing kpt #: 168 total cpu time spent up to now is 132.1 secs Computing kpt #: 169 total cpu time spent up to now is 132.9 secs Computing kpt #: 170 total cpu time spent up to now is 133.6 secs Computing kpt #: 171 total cpu time spent up to now is 134.3 secs Computing kpt #: 172 total cpu time spent up to now is 135.1 secs Computing kpt #: 173 total cpu time spent up to now is 135.9 secs Computing kpt #: 174 total cpu time spent up to now is 136.6 secs Computing kpt #: 175 total cpu time spent up to now is 137.3 secs Computing kpt #: 176 total cpu time spent up to now is 138.0 secs Computing kpt #: 177 total cpu time spent up to now is 138.8 secs Computing kpt #: 178 total cpu time spent up to now is 139.6 secs Computing kpt #: 179 total cpu time spent up to now is 140.4 secs Computing kpt #: 180 total cpu time spent up to now is 141.2 secs Computing kpt #: 181 total cpu time spent up to now is 142.0 secs Computing kpt #: 182 total cpu time spent up to now is 142.8 secs Computing kpt #: 183 total cpu time spent up to now is 143.6 secs Computing kpt #: 184 total cpu time spent up to now is 144.4 secs Computing kpt #: 185 total cpu time spent up to now is 145.2 secs Computing kpt #: 186 total cpu time spent up to now is 146.0 secs Computing kpt #: 187 total cpu time spent up to now is 146.8 secs Computing kpt #: 188 total cpu time spent up to now is 147.6 secs Computing kpt #: 189 total cpu time spent up to now is 148.3 secs Computing kpt #: 190 total cpu time spent up to now is 149.1 secs Computing kpt #: 191 total cpu time spent up to now is 149.9 secs Computing kpt #: 192 total cpu time spent up to now is 150.7 secs Computing kpt #: 193 total cpu time spent up to now is 151.4 secs Computing kpt #: 194 total cpu time spent up to now is 152.2 secs Computing kpt #: 195 total cpu time spent up to now is 153.0 secs Computing kpt #: 196 total cpu time spent up to now is 153.8 secs Computing kpt #: 197 total cpu time spent up to now is 154.6 secs Computing kpt #: 198 total cpu time spent up to now is 155.4 secs Computing kpt #: 199 total cpu time spent up to now is 156.2 secs Computing kpt #: 200 total cpu time spent up to now is 157.0 secs Computing kpt #: 201 total cpu time spent up to now is 157.8 secs Computing kpt #: 202 total cpu time spent up to now is 158.6 secs Computing kpt #: 203 total cpu time spent up to now is 159.4 secs Computing kpt #: 204 total cpu time spent up to now is 160.1 secs Computing kpt #: 205 total cpu time spent up to now is 160.8 secs Computing kpt #: 206 total cpu time spent up to now is 161.5 secs Computing kpt #: 207 total cpu time spent up to now is 162.3 secs Computing kpt #: 208 total cpu time spent up to now is 163.0 secs Computing kpt #: 209 total cpu time spent up to now is 163.7 secs Computing kpt #: 210 total cpu time spent up to now is 164.4 secs Computing kpt #: 211 total cpu time spent up to now is 165.2 secs Computing kpt #: 212 total cpu time spent up to now is 166.0 secs Computing kpt #: 213 total cpu time spent up to now is 166.8 secs Computing kpt #: 214 total cpu time spent up to now is 167.5 secs Computing kpt #: 215 total cpu time spent up to now is 168.3 secs Computing kpt #: 216 total cpu time spent up to now is 169.0 secs Computing kpt #: 217 total cpu time spent up to now is 169.7 secs Computing kpt #: 218 total cpu time spent up to now is 170.5 secs Computing kpt #: 219 total cpu time spent up to now is 171.2 secs Computing kpt #: 220 total cpu time spent up to now is 171.9 secs Computing kpt #: 221 total cpu time spent up to now is 172.6 secs Computing kpt #: 222 total cpu time spent up to now is 173.2 secs Computing kpt #: 223 total cpu time spent up to now is 173.9 secs Computing kpt #: 224 total cpu time spent up to now is 174.6 secs Computing kpt #: 225 total cpu time spent up to now is 175.3 secs Computing kpt #: 226 total cpu time spent up to now is 176.0 secs Computing kpt #: 227 total cpu time spent up to now is 176.7 secs Computing kpt #: 228 total cpu time spent up to now is 177.5 secs Computing kpt #: 229 total cpu time spent up to now is 178.2 secs Computing kpt #: 230 total cpu time spent up to now is 179.0 secs Computing kpt #: 231 total cpu time spent up to now is 179.7 secs Computing kpt #: 232 total cpu time spent up to now is 180.5 secs Computing kpt #: 233 total cpu time spent up to now is 181.3 secs Computing kpt #: 234 total cpu time spent up to now is 182.1 secs Computing kpt #: 235 total cpu time spent up to now is 182.8 secs Computing kpt #: 236 total cpu time spent up to now is 183.6 secs Computing kpt #: 237 total cpu time spent up to now is 184.3 secs Computing kpt #: 238 total cpu time spent up to now is 185.1 secs Computing kpt #: 239 total cpu time spent up to now is 185.8 secs Computing kpt #: 240 total cpu time spent up to now is 186.6 secs Computing kpt #: 241 total cpu time spent up to now is 187.3 secs Computing kpt #: 242 total cpu time spent up to now is 188.1 secs Computing kpt #: 243 total cpu time spent up to now is 188.8 secs Computing kpt #: 244 total cpu time spent up to now is 189.6 secs Computing kpt #: 245 total cpu time spent up to now is 190.4 secs Computing kpt #: 246 total cpu time spent up to now is 191.1 secs Computing kpt #: 247 total cpu time spent up to now is 191.9 secs Computing kpt #: 248 total cpu time spent up to now is 192.6 secs Computing kpt #: 249 total cpu time spent up to now is 193.4 secs Computing kpt #: 250 total cpu time spent up to now is 194.1 secs Computing kpt #: 251 total cpu time spent up to now is 194.9 secs Computing kpt #: 252 total cpu time spent up to now is 195.6 secs Computing kpt #: 253 total cpu time spent up to now is 196.4 secs Computing kpt #: 254 total cpu time spent up to now is 197.2 secs Computing kpt #: 255 total cpu time spent up to now is 197.9 secs Computing kpt #: 256 total cpu time spent up to now is 198.7 secs Computing kpt #: 257 total cpu time spent up to now is 199.4 secs Computing kpt #: 258 total cpu time spent up to now is 200.3 secs Computing kpt #: 259 total cpu time spent up to now is 201.0 secs Computing kpt #: 260 total cpu time spent up to now is 201.8 secs Computing kpt #: 261 total cpu time spent up to now is 202.5 secs Computing kpt #: 262 total cpu time spent up to now is 203.3 secs Computing kpt #: 263 total cpu time spent up to now is 204.0 secs Computing kpt #: 264 total cpu time spent up to now is 205.0 secs Computing kpt #: 265 total cpu time spent up to now is 205.8 secs Computing kpt #: 266 total cpu time spent up to now is 206.6 secs Computing kpt #: 267 total cpu time spent up to now is 207.5 secs Computing kpt #: 268 total cpu time spent up to now is 208.4 secs Computing kpt #: 269 total cpu time spent up to now is 209.3 secs Computing kpt #: 270 total cpu time spent up to now is 210.3 secs Computing kpt #: 271 total cpu time spent up to now is 211.2 secs Computing kpt #: 272 total cpu time spent up to now is 212.1 secs Computing kpt #: 273 total cpu time spent up to now is 212.9 secs Computing kpt #: 274 total cpu time spent up to now is 213.7 secs Computing kpt #: 275 total cpu time spent up to now is 214.6 secs Computing kpt #: 276 total cpu time spent up to now is 215.4 secs Computing kpt #: 277 total cpu time spent up to now is 216.3 secs Computing kpt #: 278 total cpu time spent up to now is 217.1 secs Computing kpt #: 279 total cpu time spent up to now is 217.9 secs Computing kpt #: 280 total cpu time spent up to now is 218.8 secs Computing kpt #: 281 total cpu time spent up to now is 219.6 secs Computing kpt #: 282 total cpu time spent up to now is 220.4 secs Computing kpt #: 283 total cpu time spent up to now is 221.2 secs Computing kpt #: 284 total cpu time spent up to now is 221.9 secs Computing kpt #: 285 total cpu time spent up to now is 222.7 secs Computing kpt #: 286 total cpu time spent up to now is 223.5 secs Computing kpt #: 287 total cpu time spent up to now is 224.2 secs Computing kpt #: 288 total cpu time spent up to now is 225.0 secs Computing kpt #: 289 total cpu time spent up to now is 225.7 secs Computing kpt #: 290 total cpu time spent up to now is 226.5 secs Computing kpt #: 291 total cpu time spent up to now is 227.3 secs Computing kpt #: 292 total cpu time spent up to now is 228.1 secs Computing kpt #: 293 total cpu time spent up to now is 228.8 secs Computing kpt #: 294 total cpu time spent up to now is 229.7 secs Computing kpt #: 295 total cpu time spent up to now is 230.4 secs Computing kpt #: 296 total cpu time spent up to now is 231.2 secs Computing kpt #: 297 total cpu time spent up to now is 232.1 secs Computing kpt #: 298 total cpu time spent up to now is 232.9 secs Computing kpt #: 299 total cpu time spent up to now is 233.7 secs Computing kpt #: 300 total cpu time spent up to now is 234.5 secs Computing kpt #: 301 total cpu time spent up to now is 235.5 secs Computing kpt #: 302 total cpu time spent up to now is 236.3 secs Computing kpt #: 303 total cpu time spent up to now is 237.1 secs Computing kpt #: 304 total cpu time spent up to now is 237.9 secs Computing kpt #: 305 total cpu time spent up to now is 238.7 secs Computing kpt #: 306 total cpu time spent up to now is 239.5 secs Computing kpt #: 307 total cpu time spent up to now is 240.3 secs Computing kpt #: 308 total cpu time spent up to now is 241.1 secs Computing kpt #: 309 total cpu time spent up to now is 241.9 secs Computing kpt #: 310 total cpu time spent up to now is 242.7 secs ethr = 1.56E-08, avg # of iterations = 21.6 total cpu time spent up to now is 242.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4055 PWs) bands (ev): -54.7157 -54.7157 -54.7082 -54.7082 -30.6776 -30.6776 -30.6432 -30.6432 -28.3517 -28.3517 -28.2996 -28.2996 -28.1007 -28.1007 -28.0661 -28.0661 -11.4222 -11.4222 -10.7716 -10.7716 -10.3686 -10.3686 -10.2843 -10.2843 -9.7938 -9.7938 -9.2217 -9.2217 1.0554 1.0554 1.3966 1.3966 2.8727 2.8727 2.9927 2.9927 3.0580 3.0580 3.4705 3.4705 4.2212 4.2212 4.3157 4.3157 4.3709 4.3709 4.3904 4.3904 4.4881 4.4881 4.4946 4.4946 4.6450 4.6450 5.0575 5.0575 5.2947 5.2947 5.3603 5.3603 5.4556 5.4556 5.7030 5.7030 8.8575 8.8575 8.9137 8.9137 10.4824 10.4824 10.5485 10.5485 11.3099 11.3099 11.4556 11.4556 k = 0.0000 0.0000 0.0116 ( 4050 PWs) bands (ev): -54.7157 -54.7157 -54.7082 -54.7082 -30.6776 -30.6776 -30.6432 -30.6432 -28.3516 -28.3516 -28.2996 -28.2996 -28.1006 -28.1006 -28.0661 -28.0661 -11.4220 -11.4220 -10.7715 -10.7715 -10.3686 -10.3686 -10.2844 -10.2844 -9.7940 -9.7940 -9.2217 -9.2217 1.0567 1.0567 1.3969 1.3969 2.8691 2.8691 2.9966 2.9966 3.0572 3.0572 3.4710 3.4710 4.2216 4.2216 4.3152 4.3152 4.3696 4.3696 4.3892 4.3892 4.4831 4.4831 4.4973 4.4973 4.6483 4.6483 5.0522 5.0522 5.2946 5.2946 5.3630 5.3630 5.4572 5.4572 5.7036 5.7036 8.8573 8.8573 8.9139 8.9139 10.4781 10.4781 10.5525 10.5525 11.3094 11.3094 11.4559 11.4559 k = 0.0000 0.0000 0.0233 ( 4053 PWs) bands (ev): -54.7157 -54.7157 -54.7083 -54.7083 -30.6776 -30.6776 -30.6432 -30.6432 -28.3516 -28.3516 -28.2996 -28.2996 -28.1007 -28.1007 -28.0661 -28.0661 -11.4214 -11.4214 -10.7715 -10.7715 -10.3687 -10.3687 -10.2849 -10.2849 -9.7944 -9.7944 -9.2217 -9.2217 1.0606 1.0606 1.3978 1.3978 2.8597 2.8597 3.0069 3.0069 3.0549 3.0549 3.4724 3.4724 4.2228 4.2228 4.3138 4.3138 4.3659 4.3659 4.3854 4.3854 4.4730 4.4730 4.5016 4.5016 4.6572 4.6572 5.0372 5.0372 5.2943 5.2943 5.3703 5.3703 5.4619 5.4619 5.7057 5.7057 8.8567 8.8567 8.9144 8.9144 10.4674 10.4674 10.5623 10.5623 11.3081 11.3081 11.4568 11.4568 k = 0.0000 0.0000 0.0349 ( 4049 PWs) bands (ev): -54.7157 -54.7157 -54.7082 -54.7082 -30.6776 -30.6776 -30.6432 -30.6432 -28.3516 -28.3516 -28.2997 -28.2997 -28.1006 -28.1006 -28.0661 -28.0661 -11.4205 -11.4205 -10.7713 -10.7713 -10.3688 -10.3688 -10.2857 -10.2857 -9.7951 -9.7951 -9.2217 -9.2217 1.0671 1.0671 1.3992 1.3992 2.8466 2.8466 3.0199 3.0199 3.0527 3.0527 3.4747 3.4747 4.2247 4.2247 4.3111 4.3111 4.3599 4.3599 4.3785 4.3785 4.4608 4.4608 4.5070 4.5070 4.6697 4.6697 5.0151 5.0151 5.2933 5.2933 5.3805 5.3805 5.4696 5.4696 5.7091 5.7091 8.8557 8.8557 8.9152 8.9152 10.4536 10.4536 10.5746 10.5746 11.3058 11.3058 11.4583 11.4583 k = 0.0000 0.0000 0.0465 ( 4055 PWs) bands (ev): -54.7158 -54.7158 -54.7082 -54.7082 -30.6775 -30.6775 -30.6433 -30.6433 -28.3515 -28.3515 -28.2998 -28.2998 -28.1006 -28.1006 -28.0661 -28.0661 -11.4191 -11.4191 -10.7712 -10.7712 -10.3689 -10.3689 -10.2868 -10.2868 -9.7960 -9.7960 -9.2217 -9.2217 1.0761 1.0761 1.4012 1.4012 2.8317 2.8317 3.0276 3.0276 3.0568 3.0568 3.4778 3.4778 4.2270 4.2270 4.3069 4.3069 4.3519 4.3519 4.3681 4.3681 4.4484 4.4484 4.5141 4.5141 4.6836 4.6836 4.9888 4.9888 5.2915 5.2915 5.3916 5.3916 5.4800 5.4800 5.7139 5.7139 8.8544 8.8544 8.9162 8.9162 10.4384 10.4384 10.5878 10.5878 11.3028 11.3028 11.4603 11.4603 k = 0.0000 0.0000 0.0582 ( 4058 PWs) bands (ev): -54.7158 -54.7158 -54.7082 -54.7082 -30.6775 -30.6775 -30.6434 -30.6434 -28.3514 -28.3514 -28.2999 -28.2999 -28.1006 -28.1006 -28.0662 -28.0662 -11.4175 -11.4175 -10.7709 -10.7709 -10.3691 -10.3691 -10.2882 -10.2882 -9.7972 -9.7972 -9.2217 -9.2217 1.0875 1.0875 1.4037 1.4037 2.8159 2.8159 3.0240 3.0240 3.0725 3.0725 3.4817 3.4817 4.2293 4.2293 4.3002 4.3002 4.3428 4.3428 4.3542 4.3542 4.4375 4.4375 4.5228 4.5228 4.6971 4.6971 4.9612 4.9612 5.2888 5.2888 5.4026 5.4026 5.4921 5.4921 5.7200 5.7200 8.8529 8.8529 8.9175 8.9175 10.4227 10.4227 10.6011 10.6011 11.2991 11.2991 11.4627 11.4627 k = 0.0000 0.0000 0.0698 ( 4061 PWs) bands (ev): -54.7158 -54.7158 -54.7082 -54.7082 -30.6774 -30.6774 -30.6434 -30.6434 -28.3513 -28.3513 -28.3000 -28.3000 -28.1006 -28.1006 -28.0662 -28.0662 -11.4155 -11.4155 -10.7707 -10.7707 -10.3692 -10.3692 -10.2899 -10.2899 -9.7985 -9.7985 -9.2217 -9.2217 1.1012 1.1012 1.4067 1.4067 2.7999 2.7999 3.0150 3.0150 3.0934 3.0934 3.4862 3.4862 4.2308 4.2308 4.2899 4.2899 4.3325 4.3325 4.3393 4.3393 4.4282 4.4282 4.5331 4.5331 4.7083 4.7083 4.9347 4.9347 5.2853 5.2853 5.4132 5.4132 5.5050 5.5050 5.7274 5.7274 8.8511 8.8511 8.9189 8.9189 10.4070 10.4070 10.6139 10.6139 11.2949 11.2949 11.4654 11.4654 k = 0.0000 0.0000 0.0814 ( 4064 PWs) bands (ev): -54.7159 -54.7159 -54.7082 -54.7082 -30.6774 -30.6774 -30.6435 -30.6435 -28.3512 -28.3512 -28.3001 -28.3001 -28.1006 -28.1006 -28.0663 -28.0663 -11.4132 -11.4132 -10.7704 -10.7704 -10.3694 -10.3694 -10.2918 -10.2918 -9.8001 -9.8001 -9.2218 -9.2218 1.1169 1.1169 1.4102 1.4102 2.7840 2.7840 3.0037 3.0037 3.1162 3.1162 3.4912 3.4912 4.2296 4.2296 4.2761 4.2761 4.3179 4.3179 4.3295 4.3295 4.4203 4.4203 4.5449 4.5449 4.7153 4.7153 4.9121 4.9121 5.2812 5.2812 5.4236 5.4236 5.5175 5.5175 5.7357 5.7357 8.8492 8.8492 8.9204 8.9204 10.3915 10.3915 10.6261 10.6261 11.2903 11.2903 11.4683 11.4683 k = 0.0000 0.0000 0.0930 ( 4063 PWs) bands (ev): -54.7159 -54.7159 -54.7083 -54.7083 -30.6773 -30.6773 -30.6435 -30.6435 -28.3510 -28.3510 -28.3003 -28.3003 -28.1005 -28.1005 -28.0663 -28.0663 -11.4107 -11.4107 -10.7700 -10.7700 -10.3696 -10.3696 -10.2939 -10.2939 -9.8018 -9.8018 -9.2218 -9.2218 1.1345 1.1345 1.4140 1.4140 2.7684 2.7684 2.9909 2.9909 3.1401 3.1401 3.4966 3.4966 4.2210 4.2210 4.2629 4.2629 4.3016 4.3016 4.3239 4.3239 4.4129 4.4129 4.5581 4.5581 4.7161 4.7161 4.8960 4.8960 5.2764 5.2764 5.4339 5.4339 5.5291 5.5291 5.7447 5.7447 8.8472 8.8472 8.9220 8.9220 10.3765 10.3765 10.6376 10.6376 11.2854 11.2854 11.4713 11.4713 k = 0.0000 0.0000 0.1047 ( 4056 PWs) bands (ev): -54.7158 -54.7158 -54.7082 -54.7082 -30.6772 -30.6772 -30.6436 -30.6436 -28.3509 -28.3509 -28.3004 -28.3004 -28.1005 -28.1005 -28.0664 -28.0664 -11.4080 -11.4080 -10.7697 -10.7697 -10.3698 -10.3698 -10.2962 -10.2962 -9.8036 -9.8036 -9.2218 -9.2218 1.1537 1.1537 1.4183 1.4183 2.7533 2.7533 2.9772 2.9772 3.1647 3.1647 3.5021 3.5021 4.2009 4.2009 4.2544 4.2544 4.2873 4.2873 4.3200 4.3200 4.4056 4.4056 4.5724 4.5724 4.7098 4.7098 4.8877 4.8877 5.2710 5.2710 5.4444 5.4444 5.5393 5.5393 5.7540 5.7540 8.8451 8.8451 8.9237 8.9237 10.3620 10.3620 10.6482 10.6482 11.2803 11.2803 11.4744 11.4744 k = 0.0000 0.0000 0.1163 ( 4056 PWs) bands (ev): -54.7158 -54.7158 -54.7082 -54.7082 -30.6772 -30.6772 -30.6437 -30.6437 -28.3507 -28.3507 -28.3006 -28.3006 -28.1004 -28.1004 -28.0664 -28.0664 -11.4052 -11.4052 -10.7693 -10.7693 -10.3700 -10.3700 -10.2987 -10.2987 -9.8054 -9.8054 -9.2218 -9.2218 1.1743 1.1743 1.4228 1.4228 2.7386 2.7386 2.9629 2.9629 3.1897 3.1897 3.5075 3.5075 4.1729 4.1729 4.2461 4.2461 4.2776 4.2776 4.3172 4.3172 4.3979 4.3979 4.5876 4.5876 4.6972 4.6972 4.8866 4.8866 5.2651 5.2651 5.4552 5.4552 5.5482 5.5482 5.7632 5.7632 8.8429 8.8429 8.9253 8.9253 10.3483 10.3483 10.6581 10.6581 11.2752 11.2752 11.4775 11.4775 k = 0.0000 0.0000 0.1279 ( 4054 PWs) bands (ev): -54.7158 -54.7158 -54.7082 -54.7082 -30.6771 -30.6771 -30.6437 -30.6437 -28.3505 -28.3505 -28.3007 -28.3007 -28.1004 -28.1004 -28.0665 -28.0665 -11.4022 -11.4022 -10.7689 -10.7689 -10.3702 -10.3702 -10.3013 -10.3013 -9.8073 -9.8073 -9.2218 -9.2218 1.1958 1.1958 1.4276 1.4276 2.7246 2.7246 2.9483 2.9483 3.2149 3.2149 3.5127 3.5127 4.1410 4.1410 4.2340 4.2340 4.2737 4.2737 4.3153 4.3153 4.3896 4.3896 4.6033 4.6033 4.6810 4.6810 4.8908 4.8908 5.2587 5.2587 5.4664 5.4664 5.5556 5.5556 5.7718 5.7718 8.8409 8.8409 8.9269 8.9269 10.3354 10.3354 10.6670 10.6670 11.2700 11.2700 11.4804 11.4804 k = 0.0000 0.0000 0.1396 ( 4058 PWs) bands (ev): -54.7158 -54.7158 -54.7082 -54.7082 -30.6770 -30.6770 -30.6438 -30.6438 -28.3503 -28.3503 -28.3009 -28.3009 -28.1004 -28.1004 -28.0665 -28.0665 -11.3992 -11.3992 -10.7685 -10.7685 -10.3704 -10.3704 -10.3040 -10.3040 -9.8092 -9.8092 -9.2219 -9.2219 1.2180 1.2180 1.4325 1.4325 2.7112 2.7112 2.9337 2.9337 3.2401 3.2401 3.5173 3.5173 4.1076 4.1076 4.2199 4.2199 4.2728 4.2728 4.3141 4.3141 4.3804 4.3804 4.6187 4.6187 4.6639 4.6639 4.8978 4.8978 5.2519 5.2519 5.4779 5.4779 5.5619 5.5619 5.7795 5.7795 8.8388 8.8388 8.9284 8.9284 10.3235 10.3235 10.6752 10.6752 11.2650 11.2650 11.4833 11.4833 k = 0.0000 0.0000 0.1512 ( 4060 PWs) bands (ev): -54.7159 -54.7159 -54.7082 -54.7082 -30.6769 -30.6769 -30.6439 -30.6439 -28.3502 -28.3502 -28.3011 -28.3011 -28.1003 -28.1003 -28.0666 -28.0666 -11.3962 -11.3962 -10.7681 -10.7681 -10.3706 -10.3706 -10.3067 -10.3067 -9.8111 -9.8111 -9.2219 -9.2219 1.2405 1.2405 1.4376 1.4376 2.6985 2.6985 2.9194 2.9194 3.2652 3.2652 3.5211 3.5211 4.0736 4.0736 4.2058 4.2058 4.2728 4.2728 4.3136 4.3136 4.3702 4.3702 4.6297 4.6297 4.6516 4.6516 4.9062 4.9062 5.2448 5.2448 5.4896 5.4896 5.5672 5.5672 5.7861 5.7861 8.8369 8.8369 8.9299 8.9299 10.3124 10.3124 10.6825 10.6825 11.2601 11.2601 11.4860 11.4860 k = 0.0000 0.0000 0.1628 ( 4059 PWs) bands (ev): -54.7158 -54.7158 -54.7082 -54.7082 -30.6769 -30.6769 -30.6440 -30.6440 -28.3500 -28.3500 -28.3012 -28.3012 -28.1003 -28.1003 -28.0667 -28.0667 -11.3933 -11.3933 -10.7677 -10.7677 -10.3708 -10.3708 -10.3094 -10.3094 -9.8129 -9.8129 -9.2219 -9.2219 1.2627 1.2627 1.4427 1.4427 2.6865 2.6865 2.9056 2.9056 3.2899 3.2899 3.5239 3.5239 4.0402 4.0402 4.1928 4.1928 4.2730 4.2730 4.3135 4.3135 4.3590 4.3590 4.6225 4.6225 4.6585 4.6585 4.9149 4.9149 5.2376 5.2376 5.5014 5.5014 5.5716 5.5716 5.7915 5.7915 8.8350 8.8350 8.9313 8.9313 10.3024 10.3024 10.6890 10.6890 11.2555 11.2555 11.4885 11.4885 k = 0.0000 0.0000 0.1745 ( 4053 PWs) bands (ev): -54.7158 -54.7158 -54.7081 -54.7081 -30.6768 -30.6768 -30.6440 -30.6440 -28.3498 -28.3498 -28.3014 -28.3014 -28.1003 -28.1003 -28.0667 -28.0667 -11.3905 -11.3905 -10.7674 -10.7674 -10.3709 -10.3709 -10.3119 -10.3119 -9.8146 -9.8146 -9.2220 -9.2220 1.2843 1.2843 1.4478 1.4478 2.6754 2.6754 2.8925 2.8925 3.3139 3.3139 3.5255 3.5255 4.0081 4.0081 4.1815 4.1815 4.2729 4.2729 4.3137 4.3137 4.3469 4.3469 4.6090 4.6090 4.6731 4.6731 4.9234 4.9234 5.2304 5.2304 5.5131 5.5131 5.5755 5.5755 5.7954 5.7954 8.8333 8.8333 8.9325 8.9325 10.2933 10.2933 10.6947 10.6947 11.2513 11.2513 11.4908 11.4908 k = 0.0000 0.0000 0.1861 ( 4058 PWs) bands (ev): -54.7158 -54.7158 -54.7082 -54.7082 -30.6767 -30.6767 -30.6441 -30.6441 -28.3497 -28.3497 -28.3015 -28.3015 -28.1002 -28.1002 -28.0668 -28.0668 -11.3878 -11.3878 -10.7671 -10.7671 -10.3710 -10.3710 -10.3144 -10.3144 -9.8161 -9.8161 -9.2220 -9.2220 1.3046 1.3046 1.4529 1.4529 2.6652 2.6652 2.8805 2.8805 3.3371 3.3371 3.5259 3.5259 3.9779 3.9779 4.1724 4.1724 4.2725 4.2725 4.3138 4.3138 4.3345 4.3345 4.5963 4.5963 4.6880 4.6880 4.9312 4.9312 5.2232 5.2232 5.5243 5.5243 5.5788 5.5788 5.7981 5.7981 8.8317 8.8317 8.9337 8.9337 10.2854 10.2854 10.6997 10.6997 11.2473 11.2473 11.4929 11.4929 k = 0.0000 0.0000 0.1977 ( 4063 PWs) bands (ev): -54.7159 -54.7159 -54.7083 -54.7083 -30.6767 -30.6767 -30.6442 -30.6442 -28.3495 -28.3495 -28.3017 -28.3017 -28.1002 -28.1002 -28.0668 -28.0668 -11.3854 -11.3854 -10.7668 -10.7668 -10.3710 -10.3710 -10.3167 -10.3167 -9.8175 -9.8175 -9.2221 -9.2221 1.3234 1.3234 1.4577 1.4577 2.6561 2.6561 2.8696 2.8696 3.3591 3.3591 3.5250 3.5250 3.9502 3.9502 4.1656 4.1656 4.2717 4.2717 4.3124 4.3124 4.3234 4.3234 4.5854 4.5854 4.7022 4.7022 4.9381 4.9381 5.2164 5.2164 5.5349 5.5349 5.5818 5.5818 5.7996 5.7996 8.8303 8.8303 8.9347 8.9347 10.2785 10.2785 10.7040 10.7040 11.2439 11.2439 11.4947 11.4947 k = 0.0000 0.0000 0.2093 ( 4064 PWs) bands (ev): -54.7159 -54.7159 -54.7083 -54.7083 -30.6766 -30.6766 -30.6443 -30.6443 -28.3494 -28.3494 -28.3018 -28.3018 -28.1002 -28.1002 -28.0669 -28.0669 -11.3833 -11.3833 -10.7665 -10.7665 -10.3711 -10.3711 -10.3187 -10.3187 -9.8188 -9.8188 -9.2221 -9.2221 1.3399 1.3399 1.4624 1.4624 2.6480 2.6480 2.8601 2.8601 3.3794 3.3794 3.5230 3.5230 3.9255 3.9255 4.1612 4.1612 4.2703 4.2703 4.3045 4.3045 4.3192 4.3192 4.5764 4.5764 4.7151 4.7151 4.9440 4.9440 5.2101 5.2101 5.5443 5.5443 5.5846 5.5846 5.8002 5.8002 8.8291 8.8291 8.9355 8.9355 10.2726 10.2726 10.7076 10.7076 11.2408 11.2408 11.4962 11.4962 k = 0.0000 0.0000 0.2210 ( 4074 PWs) bands (ev): -54.7160 -54.7160 -54.7083 -54.7083 -30.6766 -30.6766 -30.6443 -30.6443 -28.3494 -28.3494 -28.3019 -28.3019 -28.1002 -28.1002 -28.0669 -28.0669 -11.3815 -11.3815 -10.7663 -10.7663 -10.3711 -10.3711 -10.3205 -10.3205 -9.8198 -9.8198 -9.2221 -9.2221 1.3540 1.3540 1.4666 1.4666 2.6412 2.6412 2.8521 2.8521 3.3976 3.3976 3.5202 3.5202 3.9044 3.9044 4.1591 4.1591 4.2680 4.2680 4.2940 4.2940 4.3190 4.3190 4.5693 4.5693 4.7263 4.7263 4.9489 4.9489 5.2046 5.2046 5.5523 5.5523 5.5873 5.5873 5.8000 5.8000 8.8281 8.8281 8.9362 8.9362 10.2679 10.2679 10.7105 10.7105 11.2383 11.2383 11.4975 11.4975 k = 0.0000 0.0000 0.2326 ( 4080 PWs) bands (ev): -54.7160 -54.7160 -54.7084 -54.7084 -30.6766 -30.6766 -30.6444 -30.6444 -28.3493 -28.3493 -28.3020 -28.3020 -28.1002 -28.1002 -28.0670 -28.0670 -11.3801 -11.3801 -10.7661 -10.7661 -10.3711 -10.3711 -10.3219 -10.3219 -9.8206 -9.8206 -9.2221 -9.2221 1.3651 1.3651 1.4703 1.4703 2.6357 2.6357 2.8457 2.8457 3.4131 3.4131 3.5170 3.5170 3.8873 3.8873 4.1588 4.1588 4.2641 4.2641 4.2857 4.2857 4.3194 4.3194 4.5640 4.5640 4.7354 4.7354 4.9527 4.9527 5.2000 5.2000 5.5585 5.5585 5.5900 5.5900 5.7994 5.7994 8.8273 8.8273 8.9368 8.9368 10.2641 10.2641 10.7127 10.7127 11.2363 11.2363 11.4985 11.4985 k = 0.0000 0.0000 0.2442 ( 4076 PWs) bands (ev): -54.7160 -54.7160 -54.7084 -54.7084 -30.6765 -30.6765 -30.6444 -30.6444 -28.3492 -28.3492 -28.3021 -28.3021 -28.1002 -28.1002 -28.0670 -28.0670 -11.3790 -11.3790 -10.7660 -10.7660 -10.3711 -10.3711 -10.3229 -10.3229 -9.8212 -9.8212 -9.2222 -9.2222 1.3731 1.3731 1.4731 1.4731 2.6317 2.6317 2.8411 2.8411 3.4252 3.4252 3.5139 3.5139 3.8746 3.8746 4.1597 4.1597 4.2586 4.2586 4.2811 4.2811 4.3198 4.3198 4.5602 4.5602 4.7422 4.7422 4.9554 4.9554 5.1965 5.1965 5.5627 5.5627 5.5923 5.5923 5.7986 5.7986 8.8267 8.8267 8.9372 8.9372 10.2615 10.2615 10.7143 10.7143 11.2349 11.2349 11.4992 11.4992 k = 0.0000 0.0000 0.2559 ( 4080 PWs) bands (ev): -54.7160 -54.7160 -54.7084 -54.7084 -30.6765 -30.6765 -30.6444 -30.6444 -28.3492 -28.3492 -28.3021 -28.3021 -28.1002 -28.1002 -28.0670 -28.0670 -11.3784 -11.3784 -10.7659 -10.7659 -10.3711 -10.3711 -10.3236 -10.3236 -9.8216 -9.8216 -9.2222 -9.2222 1.3780 1.3780 1.4750 1.4750 2.6293 2.6293 2.8383 2.8383 3.4330 3.4330 3.5116 3.5116 3.8668 3.8668 4.1609 4.1609 4.2539 4.2539 4.2790 4.2790 4.3201 4.3201 4.5580 4.5580 4.7463 4.7463 4.9570 4.9570 5.1944 5.1944 5.5652 5.5652 5.5939 5.5939 5.7981 5.7981 8.8264 8.8264 8.9374 8.9374 10.2599 10.2599 10.7153 10.7153 11.2340 11.2340 11.4997 11.4997 k = 0.0000 0.0000 0.2675 ( 4074 PWs) bands (ev): -54.7160 -54.7160 -54.7083 -54.7083 -30.6765 -30.6765 -30.6444 -30.6444 -28.3492 -28.3492 -28.3021 -28.3021 -28.1001 -28.1001 -28.0670 -28.0670 -11.3782 -11.3782 -10.7659 -10.7659 -10.3711 -10.3711 -10.3238 -10.3238 -9.8217 -9.8217 -9.2222 -9.2222 1.3796 1.3796 1.4756 1.4756 2.6284 2.6284 2.8373 2.8373 3.4358 3.4358 3.5108 3.5108 3.8641 3.8641 4.1615 4.1615 4.2520 4.2520 4.2784 4.2784 4.3202 4.3202 4.5573 4.5573 4.7477 4.7477 4.9576 4.9576 5.1936 5.1936 5.5660 5.5660 5.5945 5.5945 5.7979 5.7979 8.8263 8.8263 8.9375 8.9375 10.2594 10.2594 10.7156 10.7156 11.2337 11.2337 11.4998 11.4998 k = 0.0000 0.0000 0.2675 ( 4074 PWs) bands (ev): -54.7160 -54.7160 -54.7083 -54.7083 -30.6765 -30.6765 -30.6444 -30.6444 -28.3492 -28.3492 -28.3021 -28.3021 -28.1001 -28.1001 -28.0670 -28.0670 -11.3782 -11.3782 -10.7659 -10.7659 -10.3711 -10.3711 -10.3238 -10.3238 -9.8217 -9.8217 -9.2222 -9.2222 1.3796 1.3796 1.4756 1.4756 2.6284 2.6284 2.8373 2.8373 3.4358 3.4358 3.5108 3.5108 3.8641 3.8641 4.1615 4.1615 4.2520 4.2520 4.2784 4.2784 4.3202 4.3202 4.5573 4.5573 4.7477 4.7477 4.9576 4.9576 5.1936 5.1936 5.5660 5.5660 5.5945 5.5945 5.7979 5.7979 8.8263 8.8263 8.9375 8.9375 10.2594 10.2594 10.7156 10.7156 11.2337 11.2337 11.4998 11.4998 k = 0.0000 0.0116 0.2675 ( 4076 PWs) bands (ev): -54.7160 -54.7160 -54.7084 -54.7084 -30.6765 -30.6765 -30.6445 -30.6445 -28.3492 -28.3492 -28.3022 -28.3022 -28.1002 -28.1002 -28.0670 -28.0670 -11.3779 -11.3779 -10.7657 -10.7657 -10.3703 -10.3703 -10.3227 -10.3227 -9.8214 -9.8214 -9.2224 -9.2224 1.3795 1.3795 1.4755 1.4755 2.6246 2.6246 2.8372 2.8372 3.4202 3.4202 3.5240 3.5240 3.8573 3.8573 4.1560 4.1560 4.2502 4.2502 4.2692 4.2692 4.3359 4.3359 4.5582 4.5582 4.7475 4.7475 4.9553 4.9553 5.1953 5.1953 5.5654 5.5654 5.5951 5.5951 5.7988 5.7988 8.8284 8.8284 8.9396 8.9396 10.2584 10.2584 10.7144 10.7144 11.2337 11.2337 11.4999 11.5000 k = 0.0000 0.0232 0.2675 ( 4074 PWs) bands (ev): -54.7160 -54.7160 -54.7083 -54.7083 -30.6766 -30.6766 -30.6445 -30.6445 -28.3493 -28.3493 -28.3023 -28.3023 -28.1003 -28.1003 -28.0671 -28.0671 -11.3770 -11.3770 -10.7653 -10.7653 -10.3678 -10.3678 -10.3194 -10.3194 -9.8206 -9.8206 -9.2230 -9.2230 1.3791 1.3791 1.4750 1.4750 2.6132 2.6132 2.8369 2.8369 3.3880 3.3880 3.5492 3.5492 3.8378 3.8378 4.1433 4.1433 4.2209 4.2209 4.2843 4.2843 4.3597 4.3597 4.5608 4.5608 4.7472 4.7472 4.9490 4.9490 5.2000 5.2000 5.5626 5.5626 5.5980 5.5980 5.8014 5.8014 8.8347 8.8347 8.9459 8.9459 10.2555 10.2555 10.7110 10.7110 11.2336 11.2336 11.5004 11.5004 k = 0.0000 0.0348 0.2675 ( 4074 PWs) bands (ev): -54.7160 -54.7160 -54.7083 -54.7083 -30.6767 -30.6767 -30.6446 -30.6446 -28.3495 -28.3495 -28.3025 -28.3025 -28.1004 -28.1004 -28.0672 -28.0672 -11.3757 -11.3757 -10.7646 -10.7646 -10.3636 -10.3636 -10.3139 -10.3139 -9.8191 -9.8191 -9.2241 -9.2241 1.3785 1.3785 1.4744 1.4744 2.5945 2.5945 2.8364 2.8364 3.3500 3.3500 3.5745 3.5745 3.8078 3.8078 4.1275 4.1275 4.1840 4.1840 4.3088 4.3088 4.3800 4.3800 4.5643 4.5643 4.7478 4.7478 4.9395 4.9395 5.2076 5.2076 5.5560 5.5560 5.6049 5.6049 5.8055 5.8055 8.8452 8.8452 8.9563 8.9563 10.2511 10.2511 10.7055 10.7055 11.2335 11.2335 11.5011 11.5011 k = 0.0000 0.0463 0.2675 ( 4076 PWs) bands (ev): -54.7159 -54.7159 -54.7084 -54.7084 -30.6769 -30.6769 -30.6448 -30.6448 -28.3498 -28.3498 -28.3028 -28.3028 -28.1006 -28.1006 -28.0673 -28.0673 -11.3737 -11.3737 -10.7636 -10.7636 -10.3578 -10.3578 -10.3063 -10.3063 -9.8171 -9.8171 -9.2256 -9.2256 1.3777 1.3777 1.4734 1.4734 2.5690 2.5690 2.8357 2.8357 3.3088 3.3088 3.5955 3.5955 3.7709 3.7709 4.1096 4.1096 4.1455 4.1455 4.3357 4.3357 4.3943 4.3943 4.5676 4.5676 4.7506 4.7506 4.9286 4.9286 5.2175 5.2175 5.5462 5.5462 5.6152 5.6152 5.8109 5.8109 8.8598 8.8598 8.9708 8.9708 10.2458 10.2458 10.6986 10.6986 11.2334 11.2334 11.5020 11.5020 k = 0.0000 0.0579 0.2675 ( 4074 PWs) bands (ev): -54.7159 -54.7159 -54.7083 -54.7083 -30.6770 -30.6770 -30.6450 -30.6450 -28.3501 -28.3501 -28.3032 -28.3032 -28.1008 -28.1008 -28.0675 -28.0675 -11.3713 -11.3713 -10.7625 -10.7625 -10.3502 -10.3502 -10.2966 -10.2966 -9.8145 -9.8145 -9.2275 -9.2275 1.3765 1.3765 1.4722 1.4722 2.5371 2.5371 2.8348 2.8348 3.2650 3.2650 3.6072 3.6072 3.7327 3.7327 4.0876 4.0876 4.1083 4.1083 4.3630 4.3630 4.4013 4.4013 4.5694 4.5694 4.7569 4.7569 4.9186 4.9186 5.2293 5.2293 5.5341 5.5341 5.6277 5.6277 5.8178 5.8178 8.8784 8.8784 8.9893 8.9893 10.2402 10.2402 10.6907 10.6907 11.2332 11.2332 11.5033 11.5033 k = 0.0000 0.0695 0.2675 ( 4072 PWs) bands (ev): -54.7159 -54.7159 -54.7083 -54.7083 -30.6772 -30.6772 -30.6453 -30.6453 -28.3505 -28.3505 -28.3037 -28.3037 -28.1011 -28.1011 -28.0677 -28.0677 -11.3684 -11.3684 -10.7611 -10.7611 -10.3410 -10.3410 -10.2847 -10.2847 -9.8113 -9.8113 -9.2298 -9.2298 1.3752 1.3752 1.4707 1.4707 2.4994 2.4994 2.8338 2.8338 3.2186 3.2186 3.5998 3.5998 3.7035 3.7035 4.0552 4.0552 4.0789 4.0789 4.3880 4.3880 4.4019 4.4019 4.5688 4.5688 4.7672 4.7672 4.9118 4.9118 5.2423 5.2423 5.5206 5.5206 5.6407 5.6407 5.8268 5.8268 8.9008 8.9008 9.0116 9.0116 10.2349 10.2349 10.6825 10.6825 11.2331 11.2331 11.5048 11.5048 k = 0.0000 0.0811 0.2675 ( 4070 PWs) bands (ev): -54.7158 -54.7158 -54.7082 -54.7082 -30.6775 -30.6775 -30.6455 -30.6455 -28.3510 -28.3510 -28.3043 -28.3043 -28.1014 -28.1014 -28.0680 -28.0680 -11.3651 -11.3651 -10.7595 -10.7595 -10.3301 -10.3301 -10.2709 -10.2709 -9.8076 -9.8076 -9.2325 -9.2325 1.3735 1.3735 1.4689 1.4689 2.4568 2.4568 2.8325 2.8325 3.1694 3.1694 3.5662 3.5662 3.6903 3.6903 4.0156 4.0156 4.0549 4.0549 4.3894 4.3894 4.4163 4.4163 4.5662 4.5662 4.7817 4.7817 4.9102 4.9102 5.2560 5.2560 5.5060 5.5060 5.6530 5.6530 5.8387 5.8387 8.9271 8.9271 9.0376 9.0376 10.2307 10.2307 10.6745 10.6745 11.2329 11.2329 11.5066 11.5066 k = 0.0000 0.0927 0.2675 ( 4068 PWs) bands (ev): -54.7158 -54.7158 -54.7082 -54.7082 -30.6778 -30.6778 -30.6459 -30.6459 -28.3515 -28.3515 -28.3049 -28.3049 -28.1018 -28.1018 -28.0683 -28.0683 -11.3614 -11.3614 -10.7578 -10.7578 -10.3175 -10.3175 -10.2551 -10.2551 -9.8032 -9.8032 -9.2356 -9.2356 1.3715 1.3715 1.4669 1.4669 2.4097 2.4097 2.8309 2.8309 3.1171 3.1171 3.5162 3.5162 3.6827 3.6827 3.9743 3.9743 4.0317 4.0317 4.3747 4.3747 4.4357 4.4357 4.5640 4.5640 4.7996 4.7996 4.9145 4.9145 5.2700 5.2700 5.4907 5.4907 5.6634 5.6634 5.8543 5.8543 8.9569 8.9569 9.0671 9.0671 10.2281 10.2281 10.6672 10.6672 11.2328 11.2328 11.5086 11.5086 k = 0.0000 0.1043 0.2675 ( 4062 PWs) bands (ev): -54.7157 -54.7157 -54.7081 -54.7081 -30.6781 -30.6781 -30.6462 -30.6462 -28.3521 -28.3521 -28.3056 -28.3056 -28.1022 -28.1022 -28.0686 -28.0686 -11.3573 -11.3573 -10.7560 -10.7560 -10.3033 -10.3033 -10.2374 -10.2374 -9.7982 -9.7982 -9.2391 -9.2391 1.3692 1.3692 1.4646 1.4646 2.3588 2.3588 2.8290 2.8290 3.0616 3.0616 3.4593 3.4593 3.6697 3.6697 3.9330 3.9330 4.0098 4.0098 4.3542 4.3542 4.4471 4.4471 4.5672 4.5672 4.8203 4.8203 4.9240 4.9240 5.2839 5.2839 5.4747 5.4747 5.6713 5.6713 5.8740 5.8740 8.9900 8.9900 9.0999 9.0999 10.2276 10.2276 10.6612 10.6612 11.2327 11.2327 11.5110 11.5110 k = 0.0000 0.1159 0.2675 ( 4059 PWs) bands (ev): -54.7157 -54.7157 -54.7080 -54.7080 -30.6785 -30.6785 -30.6466 -30.6466 -28.3528 -28.3528 -28.3064 -28.3064 -28.1026 -28.1026 -28.0689 -28.0689 -11.3530 -11.3530 -10.7541 -10.7541 -10.2874 -10.2874 -10.2179 -10.2179 -9.7927 -9.7927 -9.2431 -9.2431 1.3666 1.3666 1.4621 1.4621 2.3047 2.3047 2.8267 2.8267 3.0024 3.0024 3.3995 3.3995 3.6462 3.6462 3.8920 3.8920 3.9910 3.9910 4.3295 4.3295 4.4479 4.4479 4.5796 4.5796 4.8428 4.8428 4.9375 4.9375 5.2973 5.2973 5.4580 5.4580 5.6772 5.6772 5.8976 5.8976 9.0264 9.0264 9.1359 9.1359 10.2295 10.2295 10.6568 10.6568 11.2326 11.2326 11.5136 11.5136 k = 0.0000 0.1275 0.2675 ( 4056 PWs) bands (ev): -54.7156 -54.7156 -54.7079 -54.7079 -30.6789 -30.6789 -30.6470 -30.6470 -28.3535 -28.3535 -28.3072 -28.3072 -28.1031 -28.1031 -28.0693 -28.0693 -11.3484 -11.3484 -10.7522 -10.7522 -10.2700 -10.2700 -10.1967 -10.1967 -9.7865 -9.7865 -9.2474 -9.2474 1.3636 1.3636 1.4593 1.4593 2.2478 2.2478 2.8240 2.8240 2.9396 2.9396 3.3383 3.3383 3.6101 3.6101 3.8518 3.8518 3.9767 3.9767 4.3017 4.3017 4.4404 4.4404 4.6005 4.6005 4.8664 4.8664 4.9535 4.9535 5.3099 5.3099 5.4404 5.4404 5.6817 5.6817 5.9243 5.9243 9.0656 9.0656 9.1747 9.1747 10.2340 10.2340 10.6544 10.6544 11.2326 11.2326 11.5165 11.5165 k = 0.0000 0.1390 0.2675 ( 4057 PWs) bands (ev): -54.7156 -54.7156 -54.7079 -54.7079 -30.6793 -30.6793 -30.6475 -30.6475 -28.3542 -28.3542 -28.3081 -28.3081 -28.1036 -28.1036 -28.0697 -28.0697 -11.3437 -11.3437 -10.7502 -10.7502 -10.2510 -10.2510 -10.1739 -10.1739 -9.7797 -9.7797 -9.2521 -9.2521 1.3601 1.3601 1.4562 1.4562 2.1885 2.1885 2.8207 2.8207 2.8733 2.8733 3.2763 3.2763 3.5620 3.5620 3.8125 3.8125 3.9671 3.9671 4.2718 4.2718 4.4288 4.4288 4.6265 4.6265 4.8907 4.8907 4.9706 4.9706 5.3215 5.3215 5.4219 5.4219 5.6861 5.6861 5.9535 5.9535 9.1076 9.1076 9.2161 9.2161 10.2414 10.2414 10.6542 10.6542 11.2328 11.2328 11.5196 11.5196 k = 0.0000 0.1506 0.2675 ( 4056 PWs) bands (ev): -54.7156 -54.7156 -54.7078 -54.7078 -30.6797 -30.6797 -30.6480 -30.6480 -28.3550 -28.3550 -28.3091 -28.3091 -28.1041 -28.1041 -28.0701 -28.0701 -11.3388 -11.3388 -10.7483 -10.7483 -10.2306 -10.2306 -10.1496 -10.1496 -9.7722 -9.7722 -9.2571 -9.2571 1.3561 1.3561 1.4528 1.4528 2.1274 2.1274 2.8019 2.8019 2.8184 2.8184 3.2137 3.2137 3.5039 3.5039 3.7745 3.7745 3.9616 3.9616 4.2403 4.2403 4.4160 4.4160 4.6552 4.6552 4.9151 4.9151 4.9877 4.9877 5.3316 5.3316 5.4029 5.4029 5.6912 5.6912 5.9842 5.9842 9.1519 9.1519 9.2599 9.2599 10.2518 10.2518 10.6564 10.6564 11.2330 11.2330 11.5230 11.5230 k = 0.0000 0.1622 0.2675 ( 4054 PWs) bands (ev): -54.7155 -54.7155 -54.7077 -54.7077 -30.6802 -30.6802 -30.6485 -30.6485 -28.3559 -28.3559 -28.3101 -28.3101 -28.1047 -28.1047 -28.0705 -28.0705 -11.3338 -11.3338 -10.7463 -10.7463 -10.2087 -10.2087 -10.1240 -10.1240 -9.7641 -9.7641 -9.2626 -9.2626 1.3516 1.3516 1.4492 1.4492 2.0646 2.0646 2.7297 2.7297 2.8131 2.8131 3.1502 3.1502 3.4389 3.4389 3.7380 3.7380 3.9588 3.9588 4.2079 4.2079 4.4034 4.4034 4.6852 4.6852 4.9393 4.9393 5.0040 5.0040 5.3393 5.3393 5.3844 5.3844 5.6979 5.6979 6.0157 6.0157 9.1984 9.1984 9.3057 9.3057 10.2650 10.2650 10.6611 10.6611 11.2334 11.2334 11.5267 11.5267 k = 0.0000 0.1738 0.2675 ( 4057 PWs) bands (ev): -54.7155 -54.7155 -54.7078 -54.7078 -30.6807 -30.6807 -30.6491 -30.6491 -28.3568 -28.3568 -28.3112 -28.3112 -28.1052 -28.1052 -28.0710 -28.0710 -11.3288 -11.3288 -10.7444 -10.7444 -10.1856 -10.1856 -10.0973 -10.0973 -9.7553 -9.7553 -9.2683 -9.2683 1.3464 1.3464 1.4454 1.4454 2.0006 2.0006 2.6539 2.6539 2.8079 2.8079 3.0854 3.0854 3.3704 3.3704 3.7030 3.7030 3.9580 3.9580 4.1749 4.1749 4.3916 4.3916 4.7158 4.7158 4.9628 4.9628 5.0189 5.0189 5.3400 5.3400 5.3709 5.3709 5.7066 5.7066 6.0474 6.0474 9.2468 9.2468 9.3533 9.3533 10.2811 10.2811 10.6683 10.6683 11.2339 11.2339 11.5306 11.5306 k = 0.0000 0.1854 0.2675 ( 4057 PWs) bands (ev): -54.7154 -54.7154 -54.7077 -54.7077 -30.6812 -30.6812 -30.6496 -30.6496 -28.3578 -28.3578 -28.3123 -28.3123 -28.1058 -28.1058 -28.0714 -28.0714 -11.3237 -11.3237 -10.7425 -10.7425 -10.1613 -10.1613 -10.0696 -10.0696 -9.7457 -9.7457 -9.2745 -9.2745 1.3403 1.3403 1.4413 1.4413 1.9356 1.9356 2.5759 2.5759 2.8020 2.8020 3.0185 3.0185 3.3011 3.3011 3.6698 3.6698 3.9582 3.9582 4.1417 4.1417 4.3808 4.3808 4.7465 4.7465 4.9853 4.9853 5.0323 5.0323 5.3271 5.3271 5.3692 5.3692 5.7176 5.7176 6.0787 6.0787 9.2967 9.2967 9.4024 9.4024 10.3001 10.3001 10.6781 10.6781 11.2347 11.2347 11.5347 11.5347 k = 0.0000 0.1970 0.2675 ( 4063 PWs) bands (ev): -54.7155 -54.7155 -54.7077 -54.7077 -30.6818 -30.6818 -30.6502 -30.6502 -28.3588 -28.3588 -28.3135 -28.3135 -28.1064 -28.1064 -28.0719 -28.0719 -11.3188 -11.3188 -10.7406 -10.7406 -10.1360 -10.1360 -10.0411 -10.0411 -9.7354 -9.7354 -9.2809 -9.2809 1.3333 1.3333 1.4369 1.4369 1.8700 1.8700 2.4962 2.4962 2.7952 2.7952 2.9491 2.9491 3.2336 3.2336 3.6386 3.6386 3.9589 3.9589 4.1086 4.1086 4.3710 4.3710 4.7770 4.7770 5.0060 5.0060 5.0443 5.0443 5.3072 5.3072 5.3732 5.3732 5.7310 5.7310 6.1093 6.1093 9.3478 9.3478 9.4525 9.4525 10.3216 10.3216 10.6904 10.6904 11.2356 11.2356 11.5391 11.5391 k = 0.0000 0.2086 0.2675 ( 4061 PWs) bands (ev): -54.7154 -54.7154 -54.7077 -54.7077 -30.6823 -30.6823 -30.6508 -30.6508 -28.3598 -28.3598 -28.3147 -28.3147 -28.1070 -28.1070 -28.0724 -28.0724 -11.3139 -11.3139 -10.7388 -10.7388 -10.1098 -10.1098 -10.0121 -10.0121 -9.7243 -9.7243 -9.2876 -9.2876 1.3250 1.3250 1.4322 1.4322 1.8041 1.8041 2.4153 2.4153 2.7874 2.7874 2.8771 2.8771 3.1697 3.1697 3.6095 3.6095 3.9599 3.9599 4.0758 4.0758 4.3622 4.3622 4.8071 4.8071 5.0236 5.0236 5.0561 5.0561 5.2856 5.2856 5.3779 5.3779 5.7468 5.7468 6.1388 6.1388 9.3998 9.3998 9.5035 9.5035 10.3457 10.3457 10.7052 10.7052 11.2368 11.2368 11.5436 11.5436 k = 0.0000 0.2201 0.2675 ( 4060 PWs) bands (ev): -54.7153 -54.7153 -54.7076 -54.7076 -30.6829 -30.6829 -30.6514 -30.6514 -28.3608 -28.3608 -28.3159 -28.3159 -28.1076 -28.1076 -28.0728 -28.0728 -11.3091 -11.3091 -10.7371 -10.7371 -10.0828 -10.0828 -9.9828 -9.9828 -9.7122 -9.7122 -9.2947 -9.2947 1.3151 1.3151 1.4273 1.4273 1.7384 1.7384 2.3339 2.3339 2.7768 2.7768 2.8047 2.8047 3.1103 3.1103 3.5826 3.5826 3.9609 3.9609 4.0436 4.0436 4.3542 4.3542 4.8366 4.8366 5.0359 5.0359 5.0697 5.0697 5.2639 5.2639 5.3821 5.3821 5.7646 5.7646 6.1670 6.1670 9.4524 9.4524 9.5550 9.5550 10.3720 10.3720 10.7222 10.7222 11.2382 11.2382 11.5484 11.5484 k = 0.0000 0.2317 0.2675 ( 4061 PWs) bands (ev): -54.7153 -54.7153 -54.7076 -54.7076 -30.6834 -30.6834 -30.6520 -30.6520 -28.3618 -28.3618 -28.3171 -28.3171 -28.1083 -28.1083 -28.0732 -28.0732 -11.3044 -11.3044 -10.7355 -10.7355 -10.0552 -10.0552 -9.9534 -9.9534 -9.6993 -9.6993 -9.3020 -9.3020 1.3031 1.3031 1.4221 1.4221 1.6736 1.6736 2.2524 2.2524 2.7238 2.7238 2.7726 2.7726 3.0557 3.0557 3.5580 3.5580 3.9618 3.9618 4.0121 4.0121 4.3470 4.3470 4.8654 4.8654 5.0422 5.0422 5.0857 5.0857 5.2429 5.2429 5.3856 5.3856 5.7841 5.7841 6.1935 6.1935 9.5053 9.5053 9.6066 9.6066 10.4004 10.4004 10.7415 10.7415 11.2399 11.2399 11.5534 11.5534 k = 0.0000 0.2433 0.2675 ( 4061 PWs) bands (ev): -54.7152 -54.7152 -54.7075 -54.7075 -30.6840 -30.6840 -30.6526 -30.6526 -28.3629 -28.3629 -28.3183 -28.3183 -28.1088 -28.1088 -28.0737 -28.0737 -11.2999 -11.2999 -10.7339 -10.7339 -10.0272 -10.0272 -9.9242 -9.9242 -9.6853 -9.6853 -9.3095 -9.3095 1.2883 1.2883 1.4165 1.4165 1.6104 1.6104 2.1714 2.1714 2.6486 2.6486 2.7618 2.7618 3.0057 3.0057 3.5358 3.5358 3.9618 3.9618 3.9822 3.9822 4.3404 4.3404 4.8933 4.8933 5.0439 5.0439 5.1027 5.1027 5.2230 5.2230 5.3883 5.3883 5.8050 5.8050 6.2183 6.2183 9.5581 9.5581 9.6580 9.6580 10.4306 10.4306 10.7626 10.7626 11.2419 11.2419 11.5586 11.5586 k = 0.0000 0.2549 0.2675 ( 4057 PWs) bands (ev): -54.7152 -54.7152 -54.7074 -54.7074 -30.6845 -30.6845 -30.6532 -30.6532 -28.3639 -28.3639 -28.3195 -28.3195 -28.1094 -28.1094 -28.0741 -28.0741 -11.2956 -11.2956 -10.7324 -10.7324 -9.9990 -9.9990 -9.8955 -9.8955 -9.6703 -9.6703 -9.3173 -9.3173 1.2697 1.2697 1.4104 1.4104 1.5501 1.5501 2.0915 2.0915 2.5740 2.5740 2.7509 2.7509 2.9597 2.9597 3.5159 3.5159 3.9485 3.9485 3.9664 3.9664 4.3345 4.3345 4.9202 4.9202 5.0421 5.0421 5.1195 5.1195 5.2049 5.2049 5.3904 5.3904 5.8268 5.8268 6.2411 6.2411 9.6105 9.6105 9.7089 9.7089 10.4623 10.4623 10.7855 10.7855 11.2442 11.2442 11.5639 11.5639 k = 0.0000 0.2665 0.2675 ( 4061 PWs) bands (ev): -54.7152 -54.7152 -54.7074 -54.7074 -30.6851 -30.6851 -30.6538 -30.6538 -28.3649 -28.3649 -28.3207 -28.3207 -28.1100 -28.1100 -28.0746 -28.0746 -11.2916 -11.2916 -10.7309 -10.7309 -9.9709 -9.9709 -9.8675 -9.8675 -9.6542 -9.6542 -9.3253 -9.3253 1.2462 1.2462 1.4032 1.4032 1.4944 1.4944 2.0135 2.0135 2.5017 2.5017 2.7395 2.7395 2.9175 2.9175 3.4983 3.4983 3.9208 3.9208 3.9659 3.9659 4.3292 4.3292 4.9458 4.9458 5.0376 5.0376 5.1350 5.1350 5.1894 5.1894 5.3918 5.3918 5.8494 5.8494 6.2619 6.2619 9.6623 9.6623 9.7590 9.7590 10.4953 10.4953 10.8099 10.8099 11.2468 11.2468 11.5693 11.5693 k = 0.0000 0.2781 0.2675 ( 4058 PWs) bands (ev): -54.7151 -54.7151 -54.7074 -54.7074 -30.6856 -30.6856 -30.6544 -30.6544 -28.3659 -28.3659 -28.3219 -28.3219 -28.1106 -28.1106 -28.0750 -28.0750 -11.2877 -11.2877 -10.7296 -10.7296 -9.9430 -9.9430 -9.8405 -9.8405 -9.6371 -9.6371 -9.3334 -9.3334 1.2166 1.2166 1.3927 1.3927 1.4468 1.4468 1.9379 1.9379 2.4328 2.4328 2.7276 2.7276 2.8786 2.8786 3.4830 3.4830 3.8932 3.8932 3.9663 3.9663 4.3243 4.3243 4.9696 4.9696 5.0311 5.0311 5.1474 5.1474 5.1784 5.1784 5.3929 5.3929 5.8723 5.8723 6.2806 6.2806 9.7130 9.7130 9.8079 9.8079 10.5292 10.5292 10.8355 10.8355 11.2497 11.2497 11.5749 11.5749 k = 0.0000 0.2897 0.2675 ( 4056 PWs) bands (ev): -54.7150 -54.7150 -54.7073 -54.7073 -30.6861 -30.6861 -30.6550 -30.6550 -28.3669 -28.3669 -28.3230 -28.3230 -28.1111 -28.1111 -28.0754 -28.0754 -11.2841 -11.2841 -10.7283 -10.7283 -9.9155 -9.9155 -9.8145 -9.8145 -9.6191 -9.6191 -9.3416 -9.3416 1.1803 1.1803 1.3712 1.3712 1.4155 1.4155 1.8657 1.8657 2.3679 2.3679 2.7154 2.7154 2.8427 2.8427 3.4699 3.4699 3.8666 3.8666 3.9668 3.9668 4.3200 4.3200 4.9896 4.9896 5.0246 5.0246 5.1512 5.1512 5.1776 5.1776 5.3936 5.3936 5.8951 5.8951 6.2972 6.2972 9.7623 9.7623 9.8554 9.8554 10.5637 10.5637 10.8619 10.8619 11.2530 11.2530 11.5805 11.5805 k = 0.0000 0.3012 0.2675 ( 4054 PWs) bands (ev): -54.7150 -54.7150 -54.7072 -54.7072 -30.6866 -30.6866 -30.6555 -30.6555 -28.3679 -28.3679 -28.3241 -28.3241 -28.1116 -28.1116 -28.0757 -28.0757 -11.2807 -11.2807 -10.7271 -10.7271 -9.8888 -9.8888 -9.7897 -9.7897 -9.6002 -9.6002 -9.3499 -9.3499 1.1380 1.1380 1.3369 1.3369 1.4015 1.4015 1.7979 1.7979 2.3076 2.3076 2.7029 2.7029 2.8097 2.8097 3.4588 3.4588 3.8413 3.8413 3.9673 3.9673 4.3162 4.3162 4.9975 4.9975 5.0263 5.0263 5.1472 5.1472 5.1863 5.1863 5.3943 5.3943 5.9178 5.9178 6.3116 6.3116 9.8101 9.8101 9.9012 9.9012 10.5985 10.5985 10.8890 10.8890 11.2566 11.2566 11.5862 11.5862 k = 0.0000 0.3128 0.2675 ( 4049 PWs) bands (ev): -54.7149 -54.7149 -54.7071 -54.7071 -30.6871 -30.6871 -30.6561 -30.6561 -28.3688 -28.3688 -28.3252 -28.3252 -28.1120 -28.1120 -28.0761 -28.0761 -11.2776 -11.2776 -10.7260 -10.7260 -9.8629 -9.8629 -9.7661 -9.7661 -9.5808 -9.5808 -9.3581 -9.3581 1.0914 1.0914 1.2996 1.2996 1.3936 1.3936 1.7353 1.7353 2.2523 2.2523 2.6903 2.6903 2.7793 2.7793 3.4498 3.4498 3.8172 3.8172 3.9678 3.9678 4.3128 4.3128 4.9900 4.9900 5.0392 5.0392 5.1436 5.1436 5.1968 5.1968 5.3951 5.3951 5.9399 5.9399 6.3239 6.3239 9.8559 9.8559 9.9449 9.9449 10.6332 10.6332 10.9163 10.9163 11.2605 11.2605 11.5919 11.5919 k = 0.0000 0.3244 0.2675 ( 4046 PWs) bands (ev): -54.7148 -54.7148 -54.7070 -54.7070 -30.6876 -30.6876 -30.6565 -30.6565 -28.3697 -28.3697 -28.3262 -28.3262 -28.1125 -28.1125 -28.0764 -28.0764 -11.2747 -11.2747 -10.7250 -10.7250 -9.8382 -9.8382 -9.7438 -9.7438 -9.5613 -9.5613 -9.3662 -9.3662 1.0427 1.0427 1.2615 1.2615 1.3875 1.3875 1.6787 1.6787 2.2020 2.2020 2.6779 2.6779 2.7516 2.7516 3.4426 3.4426 3.7944 3.7944 3.9682 3.9682 4.3098 4.3098 4.9780 4.9780 5.0517 5.0517 5.1438 5.1438 5.2065 5.2065 5.3964 5.3964 5.9615 5.9615 6.3340 6.3340 9.8996 9.8996 9.9863 9.9863 10.6675 10.6675 10.9436 10.9436 11.2647 11.2647 11.5975 11.5975 k = 0.0000 0.3360 0.2675 ( 4048 PWs) bands (ev): -54.7148 -54.7148 -54.7070 -54.7070 -30.6880 -30.6880 -30.6570 -30.6570 -28.3706 -28.3706 -28.3272 -28.3272 -28.1129 -28.1129 -28.0767 -28.0767 -11.2722 -11.2722 -10.7240 -10.7240 -9.8148 -9.8148 -9.7225 -9.7225 -9.5421 -9.5421 -9.3739 -9.3739 0.9938 0.9938 1.2223 1.2223 1.3821 1.3821 1.6285 1.6285 2.1568 2.1568 2.6657 2.6657 2.7264 2.7264 3.4371 3.4371 3.7731 3.7731 3.9687 3.9687 4.3073 4.3073 4.9646 4.9646 5.0599 5.0599 5.1487 5.1487 5.2149 5.2149 5.3983 5.3983 5.9822 5.9822 6.3421 6.3421 9.9408 9.9408 10.0253 10.0253 10.7010 10.7010 10.9706 10.9706 11.2691 11.2691 11.6030 11.6030 k = 0.0000 0.3476 0.2675 ( 4044 PWs) bands (ev): -54.7147 -54.7147 -54.7069 -54.7069 -30.6884 -30.6884 -30.6575 -30.6575 -28.3714 -28.3714 -28.3281 -28.3281 -28.1133 -28.1133 -28.0770 -28.0770 -11.2699 -11.2699 -10.7232 -10.7232 -9.7929 -9.7929 -9.7024 -9.7024 -9.5238 -9.5238 -9.3811 -9.3811 0.9464 0.9464 1.1818 1.1818 1.3772 1.3772 1.5847 1.5847 2.1167 2.1167 2.6539 2.6539 2.7037 2.7037 3.4332 3.4332 3.7532 3.7532 3.9692 3.9692 4.3052 4.3052 4.9508 4.9508 5.0636 5.0636 5.1580 5.1580 5.2219 5.2219 5.4010 5.4010 6.0019 6.0019 6.3481 6.3481 9.9793 9.9793 10.0615 10.0615 10.7332 10.7332 10.9968 10.9968 11.2736 11.2736 11.6083 11.6083 k = 0.0000 0.3592 0.2675 ( 4044 PWs) bands (ev): -54.7147 -54.7147 -54.7069 -54.7069 -30.6888 -30.6888 -30.6579 -30.6579 -28.3721 -28.3721 -28.3290 -28.3290 -28.1137 -28.1137 -28.0773 -28.0773 -11.2678 -11.2678 -10.7224 -10.7224 -9.7725 -9.7725 -9.6834 -9.6834 -9.5070 -9.5070 -9.3874 -9.3874 0.9015 0.9015 1.1404 1.1404 1.3726 1.3726 1.5467 1.5467 2.0817 2.0817 2.6428 2.6428 2.6835 2.6835 3.4307 3.4307 3.7348 3.7348 3.9698 3.9698 4.3036 4.3036 4.9371 4.9371 5.0639 5.0639 5.1695 5.1695 5.2280 5.2280 5.4047 5.4047 6.0206 6.0206 6.3522 6.3522 10.0149 10.0149 10.0948 10.0948 10.7640 10.7640 11.0220 11.0220 11.2783 11.2783 11.6134 11.6134 k = 0.0000 0.3708 0.2675 ( 4044 PWs) bands (ev): -54.7147 -54.7147 -54.7069 -54.7069 -30.6892 -30.6892 -30.6583 -30.6583 -28.3728 -28.3728 -28.3297 -28.3297 -28.1140 -28.1140 -28.0775 -28.0775 -11.2661 -11.2661 -10.7217 -10.7217 -9.7538 -9.7538 -9.6655 -9.6655 -9.4927 -9.4927 -9.3923 -9.3923 0.8601 0.8601 1.0990 1.0990 1.3682 1.3682 1.5139 1.5139 2.0516 2.0516 2.6324 2.6324 2.6658 2.6658 3.4294 3.4294 3.7178 3.7178 3.9705 3.9705 4.3024 4.3024 4.9236 4.9236 5.0622 5.0622 5.1808 5.1808 5.2341 5.2341 5.4095 5.4095 6.0382 6.0382 6.3544 6.3544 10.0474 10.0474 10.1251 10.1251 10.7928 10.7928 11.0459 11.0459 11.2829 11.2829 11.6182 11.6182 k = 0.0000 0.3824 0.2675 ( 4038 PWs) bands (ev): -54.7146 -54.7146 -54.7068 -54.7068 -30.6895 -30.6895 -30.6586 -30.6586 -28.3735 -28.3735 -28.3304 -28.3304 -28.1143 -28.1143 -28.0777 -28.0777 -11.2646 -11.2646 -10.7211 -10.7211 -9.7368 -9.7368 -9.6487 -9.6487 -9.4818 -9.4818 -9.3950 -9.3950 0.8228 0.8228 1.0588 1.0588 1.3639 1.3639 1.4853 1.4853 2.0262 2.0262 2.6228 2.6228 2.6505 2.6505 3.4294 3.4294 3.7025 3.7025 3.9714 3.9714 4.3016 4.3016 4.9106 4.9106 5.0597 5.0597 5.1895 5.1895 5.2416 5.2416 5.4152 5.4152 6.0544 6.0544 6.3548 6.3548 10.0765 10.0765 10.1523 10.1523 10.8194 10.8194 11.0682 11.0682 11.2875 11.2875 11.6226 11.6226 k = 0.0000 0.3939 0.2675 ( 4042 PWs) bands (ev): -54.7146 -54.7146 -54.7068 -54.7068 -30.6898 -30.6898 -30.6589 -30.6589 -28.3740 -28.3740 -28.3310 -28.3310 -28.1146 -28.1146 -28.0779 -28.0779 -11.2634 -11.2634 -10.7206 -10.7206 -9.7215 -9.7215 -9.6332 -9.6332 -9.4750 -9.4750 -9.3949 -9.3949 0.7903 0.7903 1.0208 1.0208 1.3596 1.3596 1.4603 1.4603 2.0053 2.0053 2.6143 2.6143 2.6378 2.6378 3.4304 3.4304 3.6887 3.6887 3.9723 3.9723 4.3012 4.3012 4.8980 4.8980 5.0568 5.0568 5.1937 5.1937 5.2519 5.2519 5.4218 5.4218 6.0694 6.0694 6.3535 6.3535 10.1021 10.1021 10.1762 10.1762 10.8433 10.8433 11.0887 11.0887 11.2919 11.2919 11.6266 11.6266 k = 0.0000 0.4055 0.2675 ( 4050 PWs) bands (ev): -54.7147 -54.7147 -54.7068 -54.7068 -30.6901 -30.6901 -30.6592 -30.6592 -28.3746 -28.3746 -28.3316 -28.3316 -28.1148 -28.1148 -28.0781 -28.0781 -11.2626 -11.2626 -10.7202 -10.7202 -9.7081 -9.7081 -9.6191 -9.6191 -9.4724 -9.4724 -9.3923 -9.3923 0.7630 0.7630 0.9861 0.9861 1.3552 1.3552 1.4382 1.4382 1.9888 1.9888 2.6070 2.6070 2.6275 2.6275 3.4324 3.4324 3.6765 3.6765 3.9735 3.9735 4.3013 4.3013 4.8861 4.8861 5.0539 5.0539 5.1935 5.1935 5.2648 5.2648 5.4291 5.4291 6.0828 6.0828 6.3506 6.3506 10.1241 10.1241 10.1968 10.1968 10.8645 10.8645 11.1071 11.1071 11.2959 11.2959 11.6300 11.6300 k = 0.0000 0.4171 0.2675 ( 4052 PWs) bands (ev): -54.7147 -54.7147 -54.7068 -54.7068 -30.6903 -30.6903 -30.6594 -30.6594 -28.3750 -28.3750 -28.3320 -28.3320 -28.1150 -28.1150 -28.0782 -28.0782 -11.2619 -11.2619 -10.7199 -10.7199 -9.6966 -9.6966 -9.6065 -9.6065 -9.4731 -9.4731 -9.3882 -9.3882 0.7412 0.7412 0.9555 0.9555 1.3504 1.3504 1.4189 1.4189 1.9765 1.9765 2.6009 2.6009 2.6198 2.6198 3.4352 3.4352 3.6659 3.6659 3.9748 3.9748 4.3017 4.3017 4.8748 4.8748 5.0511 5.0511 5.1900 5.1900 5.2792 5.2792 5.4369 5.4369 6.0948 6.0948 6.3463 6.3463 10.1423 10.1423 10.2141 10.2141 10.8824 10.8824 11.1232 11.1232 11.2996 11.2996 11.6329 11.6329 k = 0.0000 0.4287 0.2675 ( 4044 PWs) bands (ev): -54.7145 -54.7145 -54.7068 -54.7068 -30.6905 -30.6905 -30.6595 -30.6595 -28.3753 -28.3753 -28.3323 -28.3323 -28.1152 -28.1152 -28.0782 -28.0782 -11.2616 -11.2616 -10.7197 -10.7197 -9.6871 -9.6871 -9.5954 -9.5954 -9.4756 -9.4756 -9.3838 -9.3838 0.7252 0.7252 0.9298 0.9298 1.3447 1.3447 1.4024 1.4024 1.9681 1.9681 2.5963 2.5963 2.6145 2.6145 3.4387 3.4387 3.6569 3.6569 3.9764 3.9764 4.3025 4.3025 4.8641 4.8641 5.0486 5.0486 5.1842 5.1842 5.2943 5.2943 5.4450 5.4450 6.1052 6.1052 6.3407 6.3407 10.1566 10.1566 10.2279 10.2279 10.8971 10.8971 11.1367 11.1367 11.3028 11.3028 11.6351 11.6351 k = 0.0000 0.4287 0.2675 ( 4044 PWs) bands (ev): -54.7145 -54.7145 -54.7068 -54.7068 -30.6905 -30.6905 -30.6595 -30.6595 -28.3753 -28.3753 -28.3323 -28.3323 -28.1152 -28.1152 -28.0782 -28.0782 -11.2616 -11.2616 -10.7197 -10.7197 -9.6871 -9.6871 -9.5954 -9.5954 -9.4756 -9.4756 -9.3838 -9.3838 0.7252 0.7252 0.9298 0.9298 1.3447 1.3447 1.4024 1.4024 1.9681 1.9681 2.5963 2.5963 2.6145 2.6145 3.4387 3.4387 3.6569 3.6569 3.9764 3.9764 4.3025 4.3025 4.8641 4.8641 5.0486 5.0486 5.1842 5.1842 5.2943 5.2943 5.4450 5.4450 6.1052 6.1052 6.3407 6.3407 10.1566 10.1566 10.2279 10.2279 10.8971 10.8971 11.1367 11.1367 11.3028 11.3028 11.6351 11.6351 k = 0.0000 0.4321 0.2571 ( 4034 PWs) bands (ev): -54.7145 -54.7145 -54.7067 -54.7067 -30.6905 -30.6905 -30.6595 -30.6595 -28.3754 -28.3754 -28.3323 -28.3323 -28.1152 -28.1152 -28.0782 -28.0782 -11.2617 -11.2617 -10.7196 -10.7196 -9.6844 -9.6844 -9.5936 -9.5936 -9.4761 -9.4761 -9.3824 -9.3824 0.7208 0.7208 0.9215 0.9215 1.3445 1.3445 1.4110 1.4110 1.9830 1.9830 2.5716 2.5716 2.6009 2.6009 3.4385 3.4385 3.6588 3.6588 3.9495 3.9495 4.3132 4.3132 4.8851 4.8851 5.0469 5.0469 5.1710 5.1710 5.3045 5.3045 5.4547 5.4547 6.1122 6.1122 6.3320 6.3320 10.1591 10.1591 10.2320 10.2320 10.9021 10.9021 11.1459 11.1459 11.2971 11.2971 11.6420 11.6420 k = 0.0000 0.4355 0.2468 ( 4039 PWs) bands (ev): -54.7145 -54.7145 -54.7067 -54.7067 -30.6906 -30.6906 -30.6595 -30.6595 -28.3756 -28.3756 -28.3323 -28.3323 -28.1153 -28.1153 -28.0782 -28.0782 -11.2618 -11.2618 -10.7194 -10.7194 -9.6820 -9.6820 -9.5915 -9.5915 -9.4769 -9.4769 -9.3810 -9.3810 0.7168 0.7168 0.9140 0.9140 1.3436 1.3436 1.4205 1.4205 1.9976 1.9976 2.5334 2.5334 2.6030 2.6030 3.4387 3.4387 3.6606 3.6606 3.9233 3.9233 4.3226 4.3226 4.9059 4.9059 5.0453 5.0453 5.1583 5.1583 5.3146 5.3146 5.4636 5.4636 6.1194 6.1194 6.3226 6.3226 10.1614 10.1614 10.2358 10.2358 10.9069 10.9069 11.1543 11.1543 11.2917 11.2917 11.6483 11.6483 k = 0.0000 0.4389 0.2364 ( 4039 PWs) bands (ev): -54.7145 -54.7145 -54.7068 -54.7068 -30.6907 -30.6907 -30.6595 -30.6595 -28.3757 -28.3757 -28.3324 -28.3324 -28.1154 -28.1154 -28.0781 -28.0781 -11.2619 -11.2619 -10.7194 -10.7194 -9.6799 -9.6799 -9.5893 -9.5893 -9.4779 -9.4779 -9.3797 -9.3797 0.7132 0.7132 0.9071 0.9071 1.3422 1.3422 1.4305 1.4305 2.0116 2.0116 2.4975 2.4975 2.6053 2.6053 3.4392 3.4392 3.6623 3.6623 3.8984 3.8984 4.3308 4.3308 4.9263 4.9263 5.0439 5.0439 5.1463 5.1463 5.3241 5.3241 5.4715 5.4715 6.1267 6.1267 6.3128 6.3128 10.1634 10.1634 10.2391 10.2391 10.9115 10.9115 11.1620 11.1620 11.2869 11.2869 11.6540 11.6540 k = 0.0000 0.4423 0.2260 ( 4039 PWs) bands (ev): -54.7144 -54.7144 -54.7068 -54.7068 -30.6907 -30.6907 -30.6595 -30.6595 -28.3758 -28.3758 -28.3324 -28.3324 -28.1154 -28.1154 -28.0781 -28.0781 -11.2620 -11.2620 -10.7193 -10.7193 -9.6780 -9.6780 -9.5871 -9.5871 -9.4791 -9.4791 -9.3785 -9.3785 0.7101 0.7101 0.9009 0.9009 1.3407 1.3407 1.4405 1.4405 2.0247 2.0247 2.4646 2.4646 2.6075 2.6075 3.4399 3.4399 3.6638 3.6638 3.8753 3.8753 4.3376 4.3376 4.9457 4.9457 5.0427 5.0427 5.1354 5.1354 5.3327 5.3327 5.4786 5.4786 6.1343 6.1343 6.3025 6.3025 10.1652 10.1652 10.2421 10.2421 10.9158 10.9158 11.1690 11.1690 11.2826 11.2826 11.6591 11.6591 k = 0.0000 0.4458 0.2156 ( 4031 PWs) bands (ev): -54.7144 -54.7144 -54.7067 -54.7067 -30.6908 -30.6908 -30.6595 -30.6595 -28.3759 -28.3759 -28.3324 -28.3324 -28.1154 -28.1154 -28.0781 -28.0781 -11.2621 -11.2621 -10.7192 -10.7192 -9.6765 -9.6765 -9.5849 -9.5849 -9.4804 -9.4804 -9.3775 -9.3775 0.7074 0.7074 0.8955 0.8955 1.3392 1.3392 1.4501 1.4501 2.0366 2.0366 2.4351 2.4351 2.6095 2.6095 3.4407 3.4407 3.6651 3.6651 3.8544 3.8544 4.3432 4.3432 4.9635 4.9635 5.0419 5.0419 5.1256 5.1256 5.3404 5.3404 5.4847 5.4847 6.1420 6.1420 6.2919 6.2919 10.1667 10.1667 10.2446 10.2446 10.9198 10.9198 11.1751 11.1751 11.2789 11.2789 11.6636 11.6636 k = 0.0000 0.4492 0.2053 ( 4033 PWs) bands (ev): -54.7144 -54.7144 -54.7067 -54.7067 -30.6908 -30.6908 -30.6595 -30.6595 -28.3760 -28.3760 -28.3324 -28.3324 -28.1155 -28.1155 -28.0781 -28.0781 -11.2623 -11.2623 -10.7192 -10.7192 -9.6752 -9.6752 -9.5827 -9.5827 -9.4817 -9.4817 -9.3765 -9.3765 0.7051 0.7051 0.8909 0.8909 1.3378 1.3378 1.4591 1.4591 2.0470 2.0470 2.4093 2.4093 2.6112 2.6112 3.4415 3.4415 3.6662 3.6662 3.8361 3.8361 4.3476 4.3476 4.9791 4.9791 5.0415 5.0415 5.1171 5.1171 5.3469 5.3469 5.4898 5.4898 6.1498 6.1498 6.2814 6.2814 10.1680 10.1680 10.2468 10.2468 10.9232 10.9232 11.1803 11.1803 11.2757 11.2757 11.6675 11.6675 k = 0.0000 0.4526 0.1949 ( 4033 PWs) bands (ev): -54.7144 -54.7144 -54.7067 -54.7067 -30.6908 -30.6908 -30.6595 -30.6595 -28.3761 -28.3761 -28.3324 -28.3324 -28.1155 -28.1155 -28.0780 -28.0780 -11.2624 -11.2624 -10.7191 -10.7191 -9.6742 -9.6742 -9.5808 -9.5808 -9.4829 -9.4829 -9.3757 -9.3757 0.7033 0.7033 0.8870 0.8870 1.3365 1.3365 1.4670 1.4670 2.0559 2.0559 2.3877 2.3877 2.6126 2.6126 3.4423 3.4423 3.6671 3.6671 3.8206 3.8206 4.3511 4.3511 4.9919 4.9919 5.0419 5.0419 5.1100 5.1100 5.3522 5.3522 5.4941 5.4941 6.1576 6.1576 6.2711 6.2711 10.1691 10.1691 10.2486 10.2486 10.9262 10.9262 11.1846 11.1846 11.2730 11.2730 11.6706 11.6706 k = 0.0000 0.4560 0.1845 ( 4031 PWs) bands (ev): -54.7143 -54.7143 -54.7067 -54.7067 -30.6909 -30.6909 -30.6595 -30.6595 -28.3761 -28.3761 -28.3324 -28.3324 -28.1155 -28.1155 -28.0780 -28.0780 -11.2625 -11.2625 -10.7191 -10.7191 -9.6734 -9.6734 -9.5792 -9.5792 -9.4839 -9.4839 -9.3751 -9.3751 0.7019 0.7019 0.8840 0.8840 1.3355 1.3355 1.4736 1.4736 2.0629 2.0629 2.3705 2.3705 2.6137 2.6137 3.4430 3.4430 3.6678 3.6678 3.8083 3.8083 4.3537 4.3537 5.0016 5.0016 5.0430 5.0430 5.1044 5.1044 5.3563 5.3563 5.4974 5.4974 6.1650 6.1650 6.2616 6.2616 10.1699 10.1699 10.2499 10.2499 10.9285 10.9285 11.1880 11.1880 11.2710 11.2710 11.6731 11.6731 k = 0.0000 0.4594 0.1742 ( 4034 PWs) bands (ev): -54.7144 -54.7144 -54.7067 -54.7067 -30.6909 -30.6909 -30.6595 -30.6595 -28.3762 -28.3762 -28.3324 -28.3324 -28.1156 -28.1156 -28.0780 -28.0780 -11.2626 -11.2626 -10.7191 -10.7191 -9.6728 -9.6728 -9.5779 -9.5779 -9.4848 -9.4848 -9.3746 -9.3746 0.7008 0.7008 0.8819 0.8819 1.3347 1.3347 1.4785 1.4785 2.0679 2.0679 2.3581 2.3581 2.6146 2.6146 3.4436 3.4436 3.6684 3.6684 3.7994 3.7994 4.3555 4.3555 5.0079 5.0079 5.0447 5.0447 5.1003 5.1003 5.3593 5.3593 5.4997 5.4997 6.1716 6.1716 6.2535 6.2535 10.1705 10.1705 10.2509 10.2509 10.9302 10.9302 11.1904 11.1904 11.2695 11.2695 11.6749 11.6749 k = 0.0000 0.4628 0.1638 ( 4033 PWs) bands (ev): -54.7144 -54.7144 -54.7067 -54.7067 -30.6909 -30.6909 -30.6595 -30.6595 -28.3762 -28.3762 -28.3324 -28.3324 -28.1156 -28.1156 -28.0780 -28.0780 -11.2626 -11.2626 -10.7190 -10.7190 -9.6725 -9.6725 -9.5771 -9.5771 -9.4853 -9.4853 -9.3744 -9.3744 0.7002 0.7002 0.8806 0.8806 1.3343 1.3343 1.4815 1.4815 2.0710 2.0710 2.3505 2.3505 2.6151 2.6151 3.4439 3.4439 3.6687 3.6687 3.7940 3.7940 4.3565 4.3565 5.0112 5.0112 5.0462 5.0462 5.0978 5.0978 5.3610 5.3610 5.5011 5.5011 6.1764 6.1764 6.2477 6.2477 10.1709 10.1709 10.2515 10.2515 10.9313 10.9313 11.1919 11.1919 11.2686 11.2686 11.6760 11.6760 k = 0.0000 0.4662 0.1534 ( 4034 PWs) bands (ev): -54.7144 -54.7144 -54.7067 -54.7067 -30.6909 -30.6909 -30.6595 -30.6595 -28.3762 -28.3762 -28.3324 -28.3324 -28.1156 -28.1156 -28.0780 -28.0780 -11.2627 -11.2627 -10.7190 -10.7190 -9.6724 -9.6724 -9.5769 -9.5769 -9.4855 -9.4855 -9.3743 -9.3743 0.7000 0.7000 0.8802 0.8802 1.3341 1.3341 1.4826 1.4826 2.0720 2.0720 2.3480 2.3480 2.6152 2.6152 3.4441 3.4441 3.6688 3.6688 3.7922 3.7922 4.3568 4.3568 5.0123 5.0123 5.0468 5.0468 5.0970 5.0970 5.3616 5.3616 5.5016 5.5016 6.1782 6.1782 6.2456 6.2456 10.1710 10.1710 10.2517 10.2517 10.9316 10.9316 11.1924 11.1924 11.2683 11.2683 11.6763 11.6763 k = 0.0000 0.4662 0.1534 ( 4034 PWs) bands (ev): -54.7144 -54.7144 -54.7067 -54.7067 -30.6909 -30.6909 -30.6595 -30.6595 -28.3762 -28.3762 -28.3324 -28.3324 -28.1156 -28.1156 -28.0780 -28.0780 -11.2627 -11.2627 -10.7190 -10.7190 -9.6724 -9.6724 -9.5769 -9.5769 -9.4855 -9.4855 -9.3743 -9.3743 0.7000 0.7000 0.8802 0.8802 1.3341 1.3341 1.4826 1.4826 2.0720 2.0720 2.3480 2.3480 2.6152 2.6152 3.4441 3.4441 3.6688 3.6688 3.7922 3.7922 4.3568 4.3568 5.0123 5.0123 5.0468 5.0468 5.0970 5.0970 5.3616 5.3616 5.5016 5.5016 6.1782 6.1782 6.2456 6.2456 10.1710 10.1710 10.2517 10.2517 10.9316 10.9316 11.1924 11.1924 11.2683 11.2683 11.6763 11.6763 k = 0.0116 0.4662 0.1534 ( 4036 PWs) bands (ev): -54.7144 -54.7144 -54.7067 -54.7067 -30.6910 -30.6910 -30.6595 -30.6595 -28.3762 -28.3762 -28.3325 -28.3325 -28.1157 -28.1157 -28.0781 -28.0781 -11.2616 -11.2616 -10.7181 -10.7181 -9.6723 -9.6723 -9.5768 -9.5768 -9.4854 -9.4854 -9.3743 -9.3743 0.6998 0.6998 0.8802 0.8802 1.3321 1.3321 1.4823 1.4823 2.0721 2.0721 2.3469 2.3469 2.6157 2.6157 3.4416 3.4416 3.6630 3.6630 3.7938 3.7938 4.3600 4.3600 5.0160 5.0160 5.0507 5.0507 5.0958 5.0958 5.3597 5.3597 5.5009 5.5009 6.1786 6.1786 6.2457 6.2457 10.1714 10.1714 10.2525 10.2525 10.9316 10.9316 11.1914 11.1914 11.2627 11.2627 11.6680 11.6680 k = 0.0233 0.4662 0.1534 ( 4036 PWs) bands (ev): -54.7144 -54.7144 -54.7067 -54.7067 -30.6910 -30.6910 -30.6597 -30.6597 -28.3762 -28.3762 -28.3325 -28.3325 -28.1161 -28.1161 -28.0785 -28.0785 -11.2583 -11.2583 -10.7154 -10.7154 -9.6720 -9.6720 -9.5765 -9.5765 -9.4853 -9.4853 -9.3743 -9.3743 0.6991 0.6991 0.8803 0.8803 1.3262 1.3262 1.4815 1.4815 2.0724 2.0724 2.3435 2.3435 2.6171 2.6171 3.4345 3.4345 3.6466 3.6466 3.7978 3.7978 4.3693 4.3693 5.0266 5.0266 5.0622 5.0622 5.0925 5.0925 5.3539 5.3539 5.4989 5.4989 6.1799 6.1799 6.2458 6.2458 10.1727 10.1727 10.2548 10.2548 10.9315 10.9315 11.1875 11.1875 11.2474 11.2474 11.6439 11.6439 k = 0.0349 0.4662 0.1534 ( 4040 PWs) bands (ev): -54.7144 -54.7144 -54.7067 -54.7067 -30.6912 -30.6912 -30.6599 -30.6599 -28.3761 -28.3761 -28.3325 -28.3325 -28.1167 -28.1167 -28.0792 -28.0792 -11.2528 -11.2528 -10.7108 -10.7108 -9.6714 -9.6714 -9.5761 -9.5761 -9.4850 -9.4850 -9.3743 -9.3743 0.6979 0.6979 0.8804 0.8804 1.3166 1.3166 1.4802 1.4802 2.0727 2.0727 2.3380 2.3380 2.6191 2.6191 3.4232 3.4232 3.6218 3.6218 3.8025 3.8025 4.3845 4.3845 5.0427 5.0427 5.0803 5.0803 5.0890 5.0890 5.3437 5.3437 5.4960 5.4960 6.1820 6.1820 6.2460 6.2460 10.1748 10.1748 10.2586 10.2586 10.9311 10.9311 11.1764 11.1764 11.2276 11.2276 11.6054 11.6054 k = 0.0465 0.4662 0.1534 ( 4044 PWs) bands (ev): -54.7144 -54.7144 -54.7068 -54.7068 -30.6913 -30.6913 -30.6601 -30.6601 -28.3760 -28.3760 -28.3326 -28.3326 -28.1175 -28.1175 -28.0800 -28.0800 -11.2452 -11.2452 -10.7044 -10.7044 -9.6706 -9.6706 -9.5755 -9.5755 -9.4846 -9.4846 -9.3744 -9.3744 0.6962 0.6962 0.8806 0.8806 1.3035 1.3035 1.4785 1.4785 2.0729 2.0729 2.3305 2.3305 2.6215 2.6215 3.4083 3.4083 3.5904 3.5904 3.8067 3.8067 4.4053 4.4053 5.0562 5.0562 5.0900 5.0900 5.1067 5.1067 5.3288 5.3288 5.4930 5.4930 6.1849 6.1849 6.2463 6.2463 10.1778 10.1778 10.2639 10.2639 10.9301 10.9301 11.1497 11.1497 11.2132 11.2132 11.5549 11.5549 k = 0.0581 0.4662 0.1534 ( 4042 PWs) bands (ev): -54.7143 -54.7143 -54.7067 -54.7067 -30.6915 -30.6915 -30.6605 -30.6605 -28.3759 -28.3759 -28.3327 -28.3327 -28.1186 -28.1186 -28.0812 -28.0812 -11.2355 -11.2355 -10.6963 -10.6963 -9.6696 -9.6696 -9.5748 -9.5748 -9.4841 -9.4841 -9.3745 -9.3745 0.6940 0.6940 0.8809 0.8809 1.2873 1.2873 1.4765 1.4765 2.0729 2.0729 2.3213 2.3213 2.6238 2.6238 3.3906 3.3906 3.5541 3.5541 3.8100 3.8100 4.4312 4.4312 5.0532 5.0532 5.1124 5.1124 5.1374 5.1374 5.3085 5.3085 5.4905 5.4905 6.1884 6.1884 6.2467 6.2467 10.1817 10.1817 10.2707 10.2707 10.9276 10.9276 11.1080 11.1080 11.2060 11.2060 11.4949 11.4949 k = 0.0698 0.4662 0.1534 ( 4040 PWs) bands (ev): -54.7142 -54.7142 -54.7066 -54.7066 -30.6918 -30.6918 -30.6609 -30.6609 -28.3757 -28.3757 -28.3328 -28.3328 -28.1198 -28.1198 -28.0825 -28.0825 -11.2237 -11.2237 -10.6865 -10.6865 -9.6684 -9.6684 -9.5739 -9.5739 -9.4834 -9.4834 -9.3745 -9.3745 0.6912 0.6912 0.8813 0.8813 1.2685 1.2685 1.4742 1.4742 2.0726 2.0726 2.3104 2.3104 2.6257 2.6257 3.3711 3.3711 3.5137 3.5137 3.8121 3.8121 4.4615 4.4615 5.0410 5.0410 5.1464 5.1464 5.1726 5.1726 5.2833 5.2833 5.4888 5.4888 6.1925 6.1925 6.2470 6.2470 10.1864 10.1864 10.2790 10.2790 10.9216 10.9216 11.0595 11.0595 11.2012 11.2012 11.4277 11.4277 k = 0.0814 0.4662 0.1534 ( 4040 PWs) bands (ev): -54.7142 -54.7142 -54.7066 -54.7066 -30.6920 -30.6920 -30.6614 -30.6614 -28.3755 -28.3755 -28.3329 -28.3329 -28.1213 -28.1213 -28.0841 -28.0841 -11.2098 -11.2098 -10.6750 -10.6750 -9.6670 -9.6670 -9.5728 -9.5728 -9.4827 -9.4827 -9.3746 -9.3746 0.6877 0.6877 0.8817 0.8817 1.2477 1.2477 1.4718 1.4718 2.0717 2.0717 2.2980 2.2980 2.6267 2.6267 3.3507 3.3507 3.4704 3.4704 3.8130 3.8130 4.4957 4.4957 5.0252 5.0252 5.1847 5.1847 5.2089 5.2089 5.2565 5.2565 5.4883 5.4883 6.1971 6.1971 6.2474 6.2474 10.1920 10.1920 10.2886 10.2886 10.9059 10.9059 11.0141 11.0141 11.1959 11.1959 11.3563 11.3563 k = 0.0930 0.4662 0.1534 ( 4042 PWs) bands (ev): -54.7141 -54.7141 -54.7066 -54.7066 -30.6924 -30.6924 -30.6619 -30.6619 -28.3753 -28.3753 -28.3331 -28.3331 -28.1230 -28.1230 -28.0859 -28.0859 -11.1940 -11.1940 -10.6619 -10.6619 -9.6654 -9.6654 -9.5716 -9.5716 -9.4819 -9.4819 -9.3748 -9.3748 0.6836 0.6836 0.8822 0.8822 1.2253 1.2253 1.4692 1.4692 2.0700 2.0700 2.2842 2.2842 2.6266 2.6266 3.3304 3.3304 3.4249 3.4249 3.8128 3.8128 4.5330 4.5330 5.0070 5.0070 5.1981 5.1981 5.2362 5.2362 5.2649 5.2649 5.4890 5.4890 6.2021 6.2021 6.2478 6.2478 10.1984 10.1984 10.2995 10.2995 10.8699 10.8699 10.9847 10.9847 11.1858 11.1858 11.2860 11.2860 k = 0.1047 0.4662 0.1534 ( 4038 PWs) bands (ev): -54.7139 -54.7139 -54.7065 -54.7065 -30.6928 -30.6928 -30.6625 -30.6625 -28.3751 -28.3751 -28.3332 -28.3332 -28.1249 -28.1249 -28.0879 -28.0879 -11.1762 -11.1762 -10.6474 -10.6474 -9.6636 -9.6636 -9.5702 -9.5702 -9.4809 -9.4809 -9.3749 -9.3749 0.6788 0.6788 0.8829 0.8829 1.2019 1.2019 1.4666 1.4666 2.0674 2.0674 2.2690 2.2690 2.6251 2.6251 3.3108 3.3108 3.3778 3.3778 3.8114 3.8114 4.5724 4.5724 4.9873 4.9873 5.1605 5.1605 5.2800 5.2800 5.3072 5.3072 5.4912 5.4912 6.2074 6.2074 6.2483 6.2483 10.2055 10.2055 10.3115 10.3115 10.8143 10.8143 10.9724 10.9724 11.1549 11.1549 11.2340 11.2340 k = 0.1163 0.4662 0.1534 ( 4034 PWs) bands (ev): -54.7138 -54.7138 -54.7064 -54.7064 -30.6931 -30.6931 -30.6632 -30.6632 -28.3748 -28.3748 -28.3334 -28.3334 -28.1270 -28.1270 -28.0901 -28.0901 -11.1565 -11.1565 -10.6314 -10.6314 -9.6615 -9.6615 -9.5687 -9.5687 -9.4799 -9.4799 -9.3751 -9.3751 0.6732 0.6732 0.8837 0.8837 1.1781 1.1781 1.4640 1.4640 2.0638 2.0638 2.2524 2.2524 2.6220 2.6220 3.2926 3.2926 3.3298 3.3298 3.8090 3.8090 4.6126 4.6126 4.9669 4.9669 5.1128 5.1128 5.3272 5.3272 5.3540 5.3540 5.4952 5.4952 6.2129 6.2129 6.2487 6.2487 10.2134 10.2134 10.3243 10.3243 10.7497 10.7497 10.9680 10.9680 11.0903 11.0903 11.2146 11.2146 k = 0.1279 0.4662 0.1534 ( 4036 PWs) bands (ev): -54.7137 -54.7137 -54.7064 -54.7064 -30.6936 -30.6936 -30.6639 -30.6639 -28.3745 -28.3745 -28.3336 -28.3336 -28.1292 -28.1292 -28.0925 -28.0925 -11.1351 -11.1351 -10.6141 -10.6141 -9.6593 -9.6593 -9.5671 -9.5671 -9.4787 -9.4787 -9.3753 -9.3753 0.6669 0.6669 0.8846 0.8846 1.1544 1.1544 1.4614 1.4614 2.0590 2.0590 2.2343 2.2343 2.6175 2.6175 3.2756 3.2756 3.2821 3.2821 3.8056 3.8056 4.6518 4.6518 4.9472 4.9472 5.0597 5.0597 5.3741 5.3741 5.4025 5.4025 5.5022 5.5022 6.2184 6.2184 6.2491 6.2491 10.2219 10.2219 10.3373 10.3373 10.6826 10.6826 10.9658 10.9658 11.0141 11.0141 11.2075 11.2075 k = 0.1395 0.4662 0.1534 ( 4032 PWs) bands (ev): -54.7135 -54.7135 -54.7064 -54.7064 -30.6940 -30.6940 -30.6647 -30.6647 -28.3742 -28.3742 -28.3338 -28.3338 -28.1316 -28.1316 -28.0950 -28.0950 -11.1119 -11.1119 -10.5956 -10.5956 -9.6569 -9.6569 -9.5653 -9.5653 -9.4775 -9.4775 -9.3756 -9.3756 0.6597 0.6597 0.8857 0.8857 1.1313 1.1313 1.4590 1.4590 2.0529 2.0529 2.2149 2.2149 2.6115 2.6115 3.2327 3.2327 3.2624 3.2624 3.8012 3.8012 4.6866 4.6866 4.9299 4.9299 5.0029 5.0029 5.4165 5.4165 5.4519 5.4519 5.5152 5.5152 6.2239 6.2239 6.2496 6.2496 10.2307 10.2307 10.3494 10.3494 10.6170 10.6170 10.9293 10.9293 10.9718 10.9718 11.2035 11.2035 k = 0.1512 0.4662 0.1534 ( 4036 PWs) bands (ev): -54.7133 -54.7133 -54.7064 -54.7064 -30.6945 -30.6945 -30.6656 -30.6656 -28.3738 -28.3738 -28.3341 -28.3341 -28.1341 -28.1341 -28.0978 -28.0978 -11.0872 -11.0872 -10.5760 -10.5760 -9.6543 -9.6543 -9.5635 -9.5635 -9.4761 -9.4761 -9.3759 -9.3759 0.6518 0.6518 0.8870 0.8870 1.1092 1.1092 1.4566 1.4566 2.0454 2.0454 2.1940 2.1940 2.6045 2.6045 3.1849 3.1849 3.2502 3.2502 3.7957 3.7957 4.7117 4.7117 4.9128 4.9128 4.9504 4.9504 5.4482 5.4482 5.5014 5.5014 5.5401 5.5401 6.2294 6.2294 6.2501 6.2501 10.2395 10.2395 10.3576 10.3576 10.5573 10.5573 10.8522 10.8522 10.9718 10.9718 11.2005 11.2005 k = 0.1628 0.4662 0.1534 ( 4036 PWs) bands (ev): -54.7132 -54.7132 -54.7063 -54.7063 -30.6950 -30.6950 -30.6665 -30.6665 -28.3735 -28.3735 -28.3344 -28.3344 -28.1367 -28.1367 -28.1007 -28.1007 -11.0609 -11.0609 -10.5554 -10.5554 -9.6515 -9.6515 -9.5615 -9.5615 -9.4747 -9.4747 -9.3762 -9.3762 0.6431 0.6431 0.8885 0.8885 1.0885 1.0885 1.4544 1.4544 2.0365 2.0365 2.1718 2.1718 2.5968 2.5968 3.1379 3.1379 3.2399 3.2399 3.7892 3.7892 4.7205 4.7205 4.8645 4.8645 4.9402 4.9402 5.4665 5.4665 5.5506 5.5506 5.5788 5.5788 6.2348 6.2348 6.2507 6.2507 10.2476 10.2476 10.3552 10.3552 10.5117 10.5117 10.7762 10.7762 10.9739 10.9739 11.1979 11.1979 k = 0.1744 0.4662 0.1534 ( 4038 PWs) bands (ev): -54.7130 -54.7130 -54.7063 -54.7063 -30.6955 -30.6955 -30.6675 -30.6675 -28.3731 -28.3731 -28.3347 -28.3347 -28.1394 -28.1394 -28.1038 -28.1038 -11.0332 -11.0332 -10.5341 -10.5341 -9.6486 -9.6486 -9.5594 -9.5594 -9.4732 -9.4732 -9.3765 -9.3765 0.6339 0.6339 0.8903 0.8903 1.0694 1.0694 1.4523 1.4523 2.0259 2.0259 2.1482 2.1482 2.5887 2.5887 3.0921 3.0921 3.2310 3.2310 3.7815 3.7815 4.7098 4.7098 4.8001 4.8001 4.9605 4.9605 5.4766 5.4766 5.5992 5.5992 5.6257 5.6257 6.2400 6.2400 6.2514 6.2514 10.2529 10.2529 10.3340 10.3340 10.4903 10.4903 10.7042 10.7042 10.9767 10.9767 11.1956 11.1956 k = 0.1860 0.4662 0.1534 ( 4042 PWs) bands (ev): -54.7128 -54.7128 -54.7063 -54.7063 -30.6961 -30.6961 -30.6686 -30.6686 -28.3727 -28.3727 -28.3351 -28.3351 -28.1422 -28.1422 -28.1069 -28.1069 -11.0042 -11.0042 -10.5120 -10.5120 -9.6454 -9.6454 -9.5572 -9.5572 -9.4715 -9.4715 -9.3770 -9.3770 0.6242 0.6242 0.8923 0.8923 1.0522 1.0522 1.4503 1.4503 2.0137 2.0137 2.1236 2.1236 2.5807 2.5807 3.0477 3.0477 3.2231 3.2231 3.7726 3.7726 4.6791 4.6791 4.7381 4.7381 4.9934 4.9934 5.4830 5.4830 5.6468 5.6468 5.6757 5.6757 6.2449 6.2449 6.2525 6.2525 10.2474 10.2474 10.3033 10.3033 10.4911 10.4911 10.6381 10.6381 10.9800 10.9800 11.1934 11.1934 k = 0.1977 0.4662 0.1534 ( 4038 PWs) bands (ev): -54.7126 -54.7126 -54.7062 -54.7062 -30.6966 -30.6966 -30.6696 -30.6696 -28.3723 -28.3723 -28.3355 -28.3355 -28.1450 -28.1450 -28.1102 -28.1102 -10.9740 -10.9740 -10.4894 -10.4894 -9.6422 -9.6422 -9.5549 -9.5549 -9.4698 -9.4698 -9.3774 -9.3774 0.6143 0.6143 0.8945 0.8945 1.0369 1.0369 1.4484 1.4484 1.9999 1.9999 2.0981 2.0981 2.5732 2.5732 3.0049 3.0049 3.2153 3.2153 3.7624 3.7624 4.6245 4.6245 4.6897 4.6897 5.0323 5.0323 5.4877 5.4877 5.6933 5.6933 5.7266 5.7266 6.2489 6.2489 6.2546 6.2546 10.2151 10.2151 10.2885 10.2885 10.5018 10.5018 10.5814 10.5814 10.9839 10.9839 11.1913 11.1913 k = 0.2093 0.4662 0.1534 ( 4040 PWs) bands (ev): -54.7124 -54.7124 -54.7063 -54.7063 -30.6972 -30.6972 -30.6707 -30.6707 -28.3719 -28.3719 -28.3359 -28.3359 -28.1479 -28.1479 -28.1136 -28.1136 -10.9427 -10.9427 -10.4664 -10.4664 -9.6387 -9.6387 -9.5526 -9.5526 -9.4680 -9.4680 -9.3780 -9.3780 0.6046 0.6046 0.8971 0.8971 1.0235 1.0235 1.4464 1.4464 1.9844 1.9844 2.0722 2.0722 2.5664 2.5664 2.9639 2.9639 3.2071 3.2071 3.7508 3.7508 4.5544 4.5544 4.6505 4.6505 5.0732 5.0732 5.4914 5.4914 5.7384 5.7384 5.7771 5.7771 6.2514 6.2514 6.2584 6.2584 10.1675 10.1675 10.2825 10.2825 10.5046 10.5046 10.5484 10.5484 10.9883 10.9883 11.1894 11.1894 k = 0.2209 0.4662 0.1534 ( 4042 PWs) bands (ev): -54.7122 -54.7122 -54.7063 -54.7063 -30.6977 -30.6977 -30.6719 -30.6719 -28.3714 -28.3714 -28.3363 -28.3363 -28.1507 -28.1507 -28.1170 -28.1170 -10.9104 -10.9104 -10.4432 -10.4432 -9.6351 -9.6351 -9.5502 -9.5502 -9.4662 -9.4662 -9.3786 -9.3786 0.5952 0.5952 0.9000 0.9000 1.0122 1.0122 1.4443 1.4443 1.9674 1.9674 2.0463 2.0463 2.5605 2.5605 2.9249 2.9249 3.1973 3.1973 3.7377 3.7377 4.4796 4.4796 4.6128 4.6128 5.1142 5.1142 5.4943 5.4943 5.7819 5.7819 5.8267 5.8267 6.2531 6.2531 6.2634 6.2634 10.1179 10.1179 10.2715 10.2715 10.4822 10.4822 10.5570 10.5570 10.9934 10.9934 11.1877 11.1877 k = 0.2326 0.4662 0.1534 ( 4044 PWs) bands (ev): -54.7120 -54.7120 -54.7062 -54.7062 -30.6982 -30.6982 -30.6731 -30.6731 -28.3709 -28.3709 -28.3368 -28.3368 -28.1536 -28.1536 -28.1206 -28.1206 -10.8774 -10.8774 -10.4200 -10.4200 -9.6313 -9.6313 -9.5477 -9.5477 -9.4642 -9.4642 -9.3792 -9.3792 0.5866 0.5866 0.9032 0.9032 1.0027 1.0027 1.4419 1.4419 1.9488 1.9488 2.0209 2.0209 2.5557 2.5557 2.8877 2.8877 3.1853 3.1853 3.7228 3.7228 4.4040 4.4040 4.5746 4.5746 5.1540 5.1540 5.4967 5.4967 5.8237 5.8237 5.8751 5.8751 6.2545 6.2545 6.2690 6.2690 10.0699 10.0699 10.2511 10.2511 10.4644 10.4644 10.5781 10.5781 10.9992 10.9992 11.1863 11.1863 k = 0.2442 0.4662 0.1534 ( 4040 PWs) bands (ev): -54.7117 -54.7117 -54.7062 -54.7062 -30.6988 -30.6988 -30.6743 -30.6743 -28.3704 -28.3704 -28.3373 -28.3373 -28.1564 -28.1564 -28.1241 -28.1241 -10.8437 -10.8437 -10.3969 -10.3969 -9.6274 -9.6274 -9.5453 -9.5453 -9.4622 -9.4622 -9.3799 -9.3799 0.5791 0.5791 0.9068 0.9068 0.9950 0.9950 1.4390 1.4390 1.9288 1.9288 1.9964 1.9964 2.5520 2.5520 2.8526 2.8526 3.1698 3.1698 3.7061 3.7061 4.3296 4.3296 4.5358 4.5358 5.1917 5.1917 5.4986 5.4986 5.8636 5.8636 5.9219 5.9219 6.2560 6.2560 6.2751 6.2751 10.0248 10.0248 10.2228 10.2228 10.4584 10.4584 10.6017 10.6017 11.0059 11.0059 11.1853 11.1853 k = 0.2558 0.4662 0.1534 ( 4036 PWs) bands (ev): -54.7114 -54.7114 -54.7062 -54.7062 -30.6992 -30.6992 -30.6755 -30.6755 -28.3699 -28.3699 -28.3378 -28.3378 -28.1592 -28.1592 -28.1277 -28.1277 -10.8094 -10.8094 -10.3740 -10.3740 -9.6234 -9.6234 -9.5428 -9.5428 -9.4602 -9.4602 -9.3807 -9.3807 0.5731 0.5731 0.9106 0.9106 0.9889 0.9889 1.4353 1.4353 1.9076 1.9076 1.9734 1.9734 2.5494 2.5494 2.8194 2.8194 3.1498 3.1498 3.6873 3.6873 4.2580 4.2580 4.4967 4.4967 5.2269 5.2269 5.4999 5.4999 5.9016 5.9016 5.9669 5.9669 6.2577 6.2577 6.2818 6.2818 9.9832 9.9832 10.1906 10.1906 10.4609 10.4609 10.6260 10.6260 11.0138 11.0138 11.1848 11.1848 k = 0.2674 0.4662 0.1534 ( 4032 PWs) bands (ev): -54.7112 -54.7112 -54.7061 -54.7061 -30.6997 -30.6997 -30.6768 -30.6768 -28.3694 -28.3694 -28.3384 -28.3384 -28.1619 -28.1619 -28.1313 -28.1313 -10.7747 -10.7747 -10.3516 -10.3516 -9.6192 -9.6192 -9.5403 -9.5403 -9.4580 -9.4580 -9.3816 -9.3816 0.5688 0.5688 0.9148 0.9148 0.9845 0.9845 1.4306 1.4306 1.8855 1.8855 1.9524 1.9524 2.5479 2.5479 2.7880 2.7880 3.1242 3.1242 3.6663 3.6663 4.1908 4.1908 4.4575 4.4575 5.2590 5.2590 5.5007 5.5007 5.9374 5.9374 6.0101 6.0101 6.2595 6.2595 6.2891 6.2891 9.9453 9.9453 10.1580 10.1580 10.4684 10.4684 10.6503 10.6503 11.0229 11.0229 11.1851 11.1851 k = 0.2791 0.4662 0.1534 ( 4034 PWs) bands (ev): -54.7110 -54.7110 -54.7060 -54.7060 -30.7001 -30.7001 -30.6781 -30.6781 -28.3688 -28.3688 -28.3390 -28.3390 -28.1645 -28.1645 -28.1349 -28.1349 -10.7398 -10.7398 -10.3299 -10.3299 -9.6148 -9.6148 -9.5379 -9.5379 -9.4558 -9.4558 -9.3825 -9.3825 0.5665 0.5665 0.9194 0.9194 0.9814 0.9814 1.4245 1.4245 1.8625 1.8625 1.9341 1.9341 2.5474 2.5474 2.7584 2.7584 3.0920 3.0920 3.6429 3.6429 4.1294 4.1294 4.4187 4.4187 5.2880 5.2880 5.5010 5.5010 5.9711 5.9711 6.0511 6.0511 6.2616 6.2616 6.2971 6.2971 9.9113 9.9113 10.1270 10.1270 10.4786 10.4786 10.6738 10.6738 11.0336 11.0336 11.1863 11.1863 k = 0.2907 0.4662 0.1534 ( 4036 PWs) bands (ev): -54.7107 -54.7107 -54.7060 -54.7060 -30.7006 -30.7006 -30.6794 -30.6794 -28.3683 -28.3683 -28.3397 -28.3397 -28.1671 -28.1671 -28.1385 -28.1385 -10.7047 -10.7047 -10.3090 -10.3090 -9.6103 -9.6103 -9.5355 -9.5355 -9.4536 -9.4536 -9.3835 -9.3835 0.5666 0.5666 0.9241 0.9241 0.9798 0.9798 1.4170 1.4170 1.8390 1.8390 1.9188 1.9188 2.5477 2.5477 2.7304 2.7304 3.0528 3.0528 3.6169 3.6169 4.0748 4.0748 4.3806 4.3806 5.3137 5.3137 5.5008 5.5008 6.0026 6.0026 6.0900 6.0900 6.2639 6.2639 6.3059 6.3059 9.8811 9.8811 10.0986 10.0986 10.4900 10.4900 10.6962 10.6962 11.0458 11.0458 11.1886 11.1886 k = 0.3023 0.4662 0.1534 ( 4040 PWs) bands (ev): -54.7106 -54.7106 -54.7060 -54.7060 -30.7009 -30.7009 -30.6807 -30.6807 -28.3677 -28.3677 -28.3404 -28.3404 -28.1695 -28.1695 -28.1420 -28.1420 -10.6697 -10.6697 -10.2890 -10.2890 -9.6057 -9.6057 -9.5331 -9.5331 -9.4513 -9.4513 -9.3846 -9.3846 0.5692 0.5692 0.9292 0.9292 0.9794 0.9794 1.4078 1.4078 1.8150 1.8150 1.9072 1.9072 2.5486 2.5486 2.7039 2.7039 3.0062 3.0062 3.5883 3.5883 4.0277 4.0277 4.3434 4.3434 5.3361 5.3361 5.5001 5.5001 6.0320 6.0320 6.1265 6.1265 6.2666 6.2666 6.3154 6.3154 9.8546 9.8546 10.0733 10.0733 10.5018 10.5018 10.7169 10.7169 11.0598 11.0598 11.1923 11.1923 k = 0.3140 0.4662 0.1534 ( 4048 PWs) bands (ev): -54.7104 -54.7104 -54.7061 -54.7061 -30.7013 -30.7013 -30.6820 -30.6820 -28.3671 -28.3671 -28.3411 -28.3411 -28.1719 -28.1719 -28.1455 -28.1455 -10.6349 -10.6349 -10.2702 -10.2702 -9.6010 -9.6010 -9.5309 -9.5309 -9.4490 -9.4490 -9.3858 -9.3858 0.5746 0.5746 0.9344 0.9344 0.9802 0.9802 1.3967 1.3967 1.7908 1.7908 1.8993 1.8993 2.5496 2.5496 2.6785 2.6785 2.9530 2.9530 3.5568 3.5568 3.9886 3.9886 4.3076 4.3076 5.3553 5.3553 5.4989 5.4989 6.0592 6.0592 6.1605 6.1605 6.2696 6.2696 6.3256 6.3256 9.8320 9.8320 10.0510 10.0510 10.5134 10.5134 10.7354 10.7354 11.0756 11.0756 11.1975 11.1975 k = 0.3256 0.4662 0.1534 ( 4044 PWs) bands (ev): -54.7102 -54.7102 -54.7061 -54.7061 -30.7016 -30.7016 -30.6833 -30.6833 -28.3665 -28.3665 -28.3418 -28.3418 -28.1740 -28.1740 -28.1489 -28.1489 -10.6004 -10.6004 -10.2527 -10.2527 -9.5962 -9.5962 -9.5287 -9.5287 -9.4467 -9.4467 -9.3870 -9.3870 0.5827 0.5827 0.9397 0.9397 0.9822 0.9822 1.3840 1.3840 1.7666 1.7666 1.8953 1.8953 2.5500 2.5500 2.6542 2.6542 2.8944 2.8944 3.5226 3.5226 3.9572 3.9572 4.2733 4.2733 5.3716 5.3716 5.4973 5.4973 6.0843 6.0843 6.1915 6.1915 6.2735 6.2735 6.3363 6.3363 9.8129 9.8129 10.0315 10.0315 10.5248 10.5248 10.7513 10.7513 11.0932 11.0932 11.2044 11.2044 k = 0.3372 0.4662 0.1534 ( 4046 PWs) bands (ev): -54.7099 -54.7099 -54.7061 -54.7061 -30.7019 -30.7019 -30.6846 -30.6846 -28.3659 -28.3659 -28.3426 -28.3426 -28.1761 -28.1761 -28.1523 -28.1523 -10.5664 -10.5664 -10.2366 -10.2366 -9.5912 -9.5912 -9.5268 -9.5268 -9.4443 -9.4443 -9.3883 -9.3883 0.5938 0.5938 0.9451 0.9451 0.9853 0.9853 1.3697 1.3697 1.7427 1.7427 1.8951 1.8951 2.5483 2.5483 2.6307 2.6307 2.8333 2.8333 3.4856 3.4856 3.9328 3.9328 4.2408 4.2408 5.3851 5.3851 5.4952 5.4952 6.1073 6.1073 6.2189 6.2189 6.2788 6.2788 6.3475 6.3475 9.7973 9.7973 10.0145 10.0145 10.5356 10.5356 10.7644 10.7644 11.1123 11.1123 11.2130 11.2130 k = 0.3488 0.4662 0.1534 ( 4040 PWs) bands (ev): -54.7097 -54.7097 -54.7061 -54.7061 -30.7021 -30.7021 -30.6859 -30.6859 -28.3652 -28.3652 -28.3434 -28.3434 -28.1779 -28.1779 -28.1555 -28.1555 -10.5331 -10.5331 -10.2222 -10.2222 -9.5862 -9.5862 -9.5249 -9.5249 -9.4420 -9.4420 -9.3897 -9.3897 0.6079 0.6079 0.9504 0.9504 0.9895 0.9895 1.3542 1.3542 1.7193 1.7193 1.8983 1.8983 2.5413 2.5413 2.6077 2.6077 2.7744 2.7744 3.4461 3.4461 3.9148 3.9148 4.2102 4.2102 5.3962 5.3962 5.4927 5.4927 6.1283 6.1283 6.2409 6.2409 6.2872 6.2872 6.3588 6.3588 9.7850 9.7850 9.9995 9.9995 10.5459 10.5459 10.7744 10.7744 11.1329 11.1329 11.2234 11.2234 k = 0.3605 0.4662 0.1534 ( 4044 PWs) bands (ev): -54.7094 -54.7094 -54.7062 -54.7062 -30.7022 -30.7022 -30.6871 -30.6871 -28.3646 -28.3646 -28.3442 -28.3442 -28.1796 -28.1796 -28.1586 -28.1586 -10.5005 -10.5005 -10.2094 -10.2094 -9.5812 -9.5812 -9.5233 -9.5233 -9.4396 -9.4396 -9.3911 -9.3911 0.6248 0.6248 0.9556 0.9556 0.9948 0.9948 1.3378 1.3378 1.6967 1.6967 1.9043 1.9043 2.5227 2.5227 2.5854 2.5854 2.7253 2.7253 3.4041 3.4041 3.9022 3.9022 4.1815 4.1815 5.4052 5.4052 5.4899 5.4899 6.1475 6.1475 6.2555 6.2555 6.3008 6.3008 6.3702 6.3702 9.7758 9.7758 9.9862 9.9862 10.5559 10.5559 10.7813 10.7813 11.1545 11.1545 11.2353 11.2353 k = 0.3721 0.4662 0.1534 ( 4040 PWs) bands (ev): -54.7092 -54.7092 -54.7062 -54.7062 -30.7023 -30.7023 -30.6883 -30.6883 -28.3639 -28.3639 -28.3451 -28.3451 -28.1811 -28.1811 -28.1616 -28.1616 -10.4688 -10.4688 -10.1984 -10.1984 -9.5760 -9.5760 -9.5219 -9.5219 -9.4372 -9.4372 -9.3927 -9.3927 0.6445 0.6445 0.9604 0.9604 1.0013 1.0013 1.3208 1.3208 1.6753 1.6753 1.9122 1.9122 2.4861 2.4861 2.5635 2.5635 2.6943 2.6943 3.3600 3.3600 3.8942 3.8942 4.1548 4.1548 5.4124 5.4124 5.4867 5.4867 6.1649 6.1649 6.2637 6.2637 6.3185 6.3185 6.3814 6.3814 9.7697 9.7697 9.9740 9.9740 10.5658 10.5658 10.7851 10.7851 11.1769 11.1769 11.2484 11.2484 k = 0.3837 0.4662 0.1534 ( 4040 PWs) bands (ev): -54.7089 -54.7089 -54.7062 -54.7062 -30.7024 -30.7024 -30.6895 -30.6895 -28.3632 -28.3632 -28.3459 -28.3459 -28.1824 -28.1824 -28.1645 -28.1645 -10.4381 -10.4381 -10.1894 -10.1894 -9.5709 -9.5709 -9.5207 -9.5207 -9.4348 -9.4348 -9.3942 -9.3942 0.6667 0.6667 0.9646 0.9646 1.0091 1.0091 1.3037 1.3037 1.6553 1.6553 1.9208 1.9208 2.4334 2.4334 2.5418 2.5418 2.6820 2.6820 3.3144 3.3144 3.8900 3.8900 4.1299 4.1299 5.4182 5.4182 5.4833 5.4833 6.1807 6.1807 6.2684 6.2684 6.3372 6.3372 6.3921 6.3921 9.7663 9.7663 9.9625 9.9625 10.5756 10.5756 10.7861 10.7861 11.1995 11.1995 11.2623 11.2623 k = 0.3953 0.4662 0.1534 ( 4044 PWs) bands (ev): -54.7088 -54.7088 -54.7063 -54.7063 -30.7023 -30.7023 -30.6907 -30.6907 -28.3624 -28.3624 -28.3468 -28.3468 -28.1835 -28.1835 -28.1673 -28.1673 -10.4087 -10.4087 -10.1823 -10.1823 -9.5658 -9.5658 -9.5198 -9.5198 -9.4325 -9.4325 -9.3959 -9.3959 0.6912 0.6912 0.9680 0.9680 1.0181 1.0181 1.2868 1.2868 1.6372 1.6372 1.9280 1.9280 2.3737 2.3737 2.5199 2.5199 2.6823 2.6823 3.2675 3.2675 3.8889 3.8889 4.1068 4.1068 5.4228 5.4228 5.4796 5.4796 6.1949 6.1949 6.2715 6.2715 6.3553 6.3553 6.4023 6.4023 9.7656 9.7656 9.9513 9.9513 10.5856 10.5856 10.7844 10.7844 11.2219 11.2219 11.2766 11.2766 k = 0.4070 0.4662 0.1534 ( 4044 PWs) bands (ev): -54.7086 -54.7086 -54.7063 -54.7063 -30.7022 -30.7022 -30.6919 -30.6919 -28.3617 -28.3617 -28.3477 -28.3477 -28.1844 -28.1844 -28.1699 -28.1699 -10.3805 -10.3805 -10.1773 -10.1773 -9.5608 -9.5608 -9.5193 -9.5193 -9.4302 -9.4302 -9.3976 -9.3976 0.7175 0.7175 0.9704 0.9704 1.0286 1.0286 1.2704 1.2704 1.6214 1.6214 1.9310 1.9310 2.3159 2.3159 2.4977 2.4977 2.6900 2.6900 3.2200 3.2200 3.8904 3.8904 4.0853 4.0853 5.4265 5.4265 5.4759 5.4759 6.2077 6.2077 6.2737 6.2737 6.3720 6.3720 6.4116 6.4116 9.7672 9.7672 9.9402 9.9402 10.5960 10.5960 10.7803 10.7803 11.2436 11.2436 11.2907 11.2907 k = 0.4186 0.4662 0.1534 ( 4042 PWs) bands (ev): -54.7084 -54.7084 -54.7064 -54.7064 -30.7021 -30.7021 -30.6930 -30.6930 -28.3609 -28.3609 -28.3486 -28.3486 -28.1851 -28.1851 -28.1723 -28.1723 -10.3538 -10.3538 -10.1745 -10.1745 -9.5559 -9.5559 -9.5190 -9.5190 -9.4279 -9.4279 -9.3993 -9.3993 0.7451 0.7451 0.9713 0.9713 1.0407 1.0407 1.2547 1.2547 1.6084 1.6084 1.9254 1.9254 2.2678 2.2678 2.4750 2.4750 2.7025 2.7025 3.1724 3.1724 3.8940 3.8940 4.0653 4.0653 5.4296 5.4296 5.4720 5.4720 6.2191 6.2191 6.2751 6.2751 6.3870 6.3870 6.4200 6.4200 9.7710 9.7710 9.9289 9.9289 10.6069 10.6069 10.7742 10.7742 11.2642 11.2642 11.3043 11.3043 k = 0.4302 0.4662 0.1534 ( 4048 PWs) bands (ev): -54.7083 -54.7083 -54.7065 -54.7065 -30.7019 -30.7019 -30.6940 -30.6940 -28.3601 -28.3601 -28.3496 -28.3496 -28.1856 -28.1856 -28.1745 -28.1745 -10.3286 -10.3286 -10.1737 -10.1737 -9.5512 -9.5512 -9.5191 -9.5191 -9.4256 -9.4256 -9.4011 -9.4011 0.7733 0.7733 0.9705 0.9705 1.0543 1.0543 1.2399 1.2399 1.5988 1.5988 1.9069 1.9069 2.2357 2.2357 2.4517 2.4517 2.7186 2.7186 3.1252 3.1252 3.8994 3.8994 4.0466 4.0466 5.4323 5.4323 5.4682 5.4682 6.2292 6.2292 6.2759 6.2759 6.4002 6.4002 6.4272 6.4272 9.7768 9.7768 9.9172 9.9172 10.6183 10.6183 10.7663 10.7663 11.2832 11.2832 11.3167 11.3167 k = 0.4419 0.4662 0.1534 ( 4048 PWs) bands (ev): -54.7081 -54.7081 -54.7066 -54.7066 -30.7016 -30.7016 -30.6950 -30.6950 -28.3594 -28.3594 -28.3505 -28.3505 -28.1858 -28.1858 -28.1766 -28.1766 -10.3050 -10.3050 -10.1751 -10.1751 -9.5466 -9.5466 -9.5196 -9.5196 -9.4234 -9.4234 -9.4030 -9.4030 0.8014 0.8014 0.9677 0.9677 1.0696 1.0696 1.2259 1.2259 1.5935 1.5935 1.8744 1.8744 2.2218 2.2218 2.4279 2.4279 2.7378 2.7378 3.0789 3.0789 3.9062 3.9062 4.0292 4.0292 5.4348 5.4348 5.4644 5.4644 6.2382 6.2382 6.2761 6.2761 6.4117 6.4117 6.4333 6.4333 9.7843 9.7843 9.9050 9.9050 10.6303 10.6303 10.7570 10.7570 11.3004 11.3004 11.3276 11.3276 k = 0.4535 0.4662 0.1534 ( 4048 PWs) bands (ev): -54.7079 -54.7079 -54.7066 -54.7066 -30.7012 -30.7012 -30.6960 -30.6960 -28.3585 -28.3585 -28.3514 -28.3514 -28.1859 -28.1859 -28.1784 -28.1784 -10.2832 -10.2832 -10.1787 -10.1787 -9.5423 -9.5423 -9.5205 -9.5205 -9.4212 -9.4212 -9.4049 -9.4049 0.8286 0.8286 0.9626 0.9626 1.0863 1.0863 1.2124 1.2124 1.5932 1.5932 1.8318 1.8318 2.2235 2.2235 2.4033 2.4033 2.7597 2.7597 3.0339 3.0339 3.9143 3.9143 4.0128 4.0128 5.4371 5.4371 5.4606 5.4606 6.2460 6.2460 6.2758 6.2758 6.4214 6.4214 6.4381 6.4381 9.7934 9.7934 9.8925 9.8925 10.6428 10.6428 10.7463 10.7463 11.3152 11.3152 11.3366 11.3366 k = 0.4651 0.4662 0.1534 ( 4048 PWs) bands (ev): -54.7077 -54.7077 -54.7067 -54.7067 -30.7008 -30.7008 -30.6969 -30.6969 -28.3577 -28.3577 -28.3524 -28.3524 -28.1857 -28.1857 -28.1801 -28.1801 -10.2631 -10.2631 -10.1844 -10.1844 -9.5383 -9.5383 -9.5219 -9.5219 -9.4190 -9.4190 -9.4068 -9.4068 0.8542 0.8542 0.9551 0.9551 1.1039 1.1039 1.1993 1.1993 1.5989 1.5989 1.7848 1.7848 2.2357 2.2357 2.3782 2.3782 2.7845 2.7845 2.9908 2.9908 3.9235 3.9235 3.9975 3.9975 5.4395 5.4395 5.4570 5.4570 6.2528 6.2528 6.2747 6.2747 6.4292 6.4292 6.4415 6.4415 9.8037 9.8037 9.8796 9.8796 10.6558 10.6558 10.7347 10.7347 11.3276 11.3276 11.3434 11.3434 k = 0.4767 0.4662 0.1534 ( 4054 PWs) bands (ev): -54.7075 -54.7075 -54.7070 -54.7070 -30.7003 -30.7003 -30.6977 -30.6977 -28.3569 -28.3569 -28.3533 -28.3533 -28.1853 -28.1853 -28.1816 -28.1816 -10.2450 -10.2450 -10.1924 -10.1924 -9.5346 -9.5346 -9.5236 -9.5236 -9.4169 -9.4169 -9.4087 -9.4087 0.8776 0.8776 0.9450 0.9450 1.1219 1.1219 1.1858 1.1858 1.6116 1.6116 1.7385 1.7385 2.2544 2.2544 2.3527 2.3527 2.8120 2.8120 2.9499 2.9499 3.9337 3.9337 3.9830 3.9830 5.4419 5.4419 5.4536 5.4536 6.2586 6.2586 6.2731 6.2731 6.4354 6.4354 6.4434 6.4434 9.8151 9.8151 9.8664 9.8664 10.6690 10.6690 10.7223 10.7223 11.3374 11.3374 11.3477 11.3477 k = 0.4884 0.4662 0.1534 ( 4044 PWs) bands (ev): -54.7073 -54.7073 -54.7070 -54.7070 -30.6997 -30.6997 -30.6984 -30.6984 -28.3560 -28.3560 -28.3542 -28.3542 -28.1847 -28.1847 -28.1828 -28.1828 -10.2287 -10.2287 -10.2024 -10.2024 -9.5313 -9.5313 -9.5257 -9.5257 -9.4148 -9.4148 -9.4107 -9.4107 0.8985 0.8985 0.9322 0.9322 1.1395 1.1395 1.1716 1.1716 1.6320 1.6320 1.6963 1.6963 2.2769 2.2769 2.3269 2.3269 2.8424 2.8424 2.9114 2.9114 3.9448 3.9448 3.9694 3.9694 5.4445 5.4445 5.4504 5.4504 6.2635 6.2635 6.2706 6.2706 6.4398 6.4398 6.4438 6.4438 9.8273 9.8273 9.8532 9.8532 10.6825 10.6825 10.7093 10.7093 11.3442 11.3442 11.3494 11.3494 k = 0.5000 0.4662 0.1534 ( 4040 PWs) bands (ev): -54.7071 -54.7071 -54.7071 -54.7071 -30.6991 -30.6991 -30.6991 -30.6991 -28.3551 -28.3551 -28.3551 -28.3551 -28.1838 -28.1838 -28.1838 -28.1838 -10.2145 -10.2145 -10.2145 -10.2145 -9.5283 -9.5283 -9.5283 -9.5283 -9.4127 -9.4127 -9.4127 -9.4127 0.9168 0.9168 0.9168 0.9168 1.1562 1.1562 1.1562 1.1562 1.6604 1.6604 1.6604 1.6604 2.3014 2.3014 2.3014 2.3014 2.8755 2.8755 2.8755 2.8755 3.9567 3.9567 3.9567 3.9567 5.4474 5.4474 5.4474 5.4474 6.2675 6.2675 6.2675 6.2675 6.4426 6.4426 6.4426 6.4426 9.8400 9.8400 9.8400 9.8400 10.6960 10.6960 10.6960 10.6960 11.3483 11.3483 11.3483 11.3483 k = 0.5000 0.4662 0.1534 ( 4040 PWs) bands (ev): -54.7071 -54.7071 -54.7071 -54.7071 -30.6991 -30.6991 -30.6991 -30.6991 -28.3551 -28.3551 -28.3551 -28.3551 -28.1838 -28.1838 -28.1838 -28.1838 -10.2145 -10.2145 -10.2145 -10.2145 -9.5283 -9.5283 -9.5283 -9.5283 -9.4127 -9.4127 -9.4127 -9.4127 0.9168 0.9168 0.9168 0.9168 1.1562 1.1562 1.1562 1.1562 1.6604 1.6604 1.6604 1.6604 2.3014 2.3014 2.3014 2.3014 2.8755 2.8755 2.8755 2.8755 3.9567 3.9567 3.9567 3.9567 5.4474 5.4474 5.4474 5.4474 6.2675 6.2675 6.2675 6.2675 6.4426 6.4426 6.4426 6.4426 9.8400 9.8400 9.8400 9.8400 10.6960 10.6960 10.6960 10.6960 11.3483 11.3483 11.3483 11.3483 k = 0.5000 0.4696 0.1430 ( 4044 PWs) bands (ev): -54.7072 -54.7072 -54.7072 -54.7072 -30.6991 -30.6991 -30.6991 -30.6991 -28.3551 -28.3551 -28.3551 -28.3551 -28.1838 -28.1838 -28.1838 -28.1838 -10.2146 -10.2146 -10.2145 -10.2145 -9.5284 -9.5284 -9.5283 -9.5283 -9.4129 -9.4129 -9.4127 -9.4127 0.9162 0.9162 0.9168 0.9168 1.1566 1.1566 1.1566 1.1566 1.6604 1.6604 1.6608 1.6608 2.3001 2.3001 2.3024 2.3024 2.8753 2.8753 2.8782 2.8782 3.9547 3.9547 3.9565 3.9565 5.4475 5.4475 5.4481 5.4481 6.2660 6.2660 6.2665 6.2665 6.4428 6.4428 6.4433 6.4433 9.8403 9.8403 9.8405 9.8405 10.6962 10.6962 10.6966 10.6966 11.3470 11.3470 11.3480 11.3480 k = 0.5000 0.4731 0.1327 ( 4040 PWs) bands (ev): -54.7071 -54.7071 -54.7071 -54.7071 -30.6991 -30.6991 -30.6991 -30.6991 -28.3551 -28.3551 -28.3550 -28.3550 -28.1838 -28.1838 -28.1838 -28.1838 -10.2147 -10.2147 -10.2146 -10.2146 -9.5287 -9.5287 -9.5286 -9.5286 -9.4130 -9.4130 -9.4126 -9.4126 0.9153 0.9153 0.9165 0.9165 1.1577 1.1577 1.1578 1.1578 1.6607 1.6607 1.6615 1.6615 2.2985 2.2985 2.3032 2.3032 2.8775 2.8775 2.8833 2.8833 3.9505 3.9505 3.9541 3.9541 5.4484 5.4484 5.4496 5.4496 6.2623 6.2623 6.2632 6.2632 6.4438 6.4438 6.4449 6.4449 9.8413 9.8413 9.8418 9.8418 10.6972 10.6972 10.6980 10.6980 11.3443 11.3443 11.3462 11.3462 k = 0.5000 0.4765 0.1223 ( 4040 PWs) bands (ev): -54.7071 -54.7071 -54.7071 -54.7071 -30.6991 -30.6991 -30.6990 -30.6990 -28.3552 -28.3552 -28.3549 -28.3549 -28.1838 -28.1838 -28.1838 -28.1838 -10.2149 -10.2149 -10.2147 -10.2147 -9.5292 -9.5292 -9.5289 -9.5289 -9.4132 -9.4132 -9.4126 -9.4126 0.9140 0.9140 0.9158 0.9158 1.1597 1.1597 1.1598 1.1598 1.6613 1.6613 1.6626 1.6626 2.2970 2.2970 2.3037 2.3037 2.8820 2.8820 2.8905 2.8905 3.9443 3.9443 3.9497 3.9497 5.4500 5.4500 5.4517 5.4517 6.2565 6.2565 6.2578 6.2578 6.4456 6.4456 6.4470 6.4470 9.8431 9.8431 9.8438 9.8438 10.6990 10.6990 10.7003 10.7003 11.3400 11.3400 11.3428 11.3428 k = 0.5000 0.4799 0.1119 ( 4036 PWs) bands (ev): -54.7071 -54.7071 -54.7071 -54.7071 -30.6991 -30.6991 -30.6990 -30.6990 -28.3552 -28.3552 -28.3549 -28.3549 -28.1838 -28.1838 -28.1837 -28.1837 -10.2152 -10.2152 -10.2149 -10.2149 -9.5298 -9.5298 -9.5295 -9.5295 -9.4134 -9.4134 -9.4126 -9.4126 0.9122 0.9122 0.9147 0.9147 1.1624 1.1624 1.1626 1.1626 1.6622 1.6622 1.6639 1.6639 2.2957 2.2957 2.3044 2.3044 2.8884 2.8884 2.8994 2.8994 3.9365 3.9365 3.9436 3.9436 5.4520 5.4520 5.4543 5.4543 6.2491 6.2491 6.2506 6.2506 6.4478 6.4478 6.4496 6.4496 9.8455 9.8455 9.8464 9.8464 10.7016 10.7016 10.7033 10.7033 11.3342 11.3342 11.3380 11.3380 k = 0.5000 0.4833 0.1016 ( 4044 PWs) bands (ev): -54.7072 -54.7072 -54.7072 -54.7072 -30.6991 -30.6991 -30.6990 -30.6990 -28.3552 -28.3552 -28.3548 -28.3548 -28.1838 -28.1838 -28.1837 -28.1837 -10.2155 -10.2155 -10.2151 -10.2151 -9.5307 -9.5307 -9.5302 -9.5302 -9.4136 -9.4136 -9.4127 -9.4127 0.9102 0.9102 0.9132 0.9132 1.1660 1.1660 1.1662 1.1662 1.6632 1.6632 1.6653 1.6653 2.2950 2.2950 2.3054 2.3054 2.8961 2.8961 2.9095 2.9095 3.9275 3.9275 3.9362 3.9362 5.4543 5.4543 5.4571 5.4571 6.2403 6.2403 6.2420 6.2420 6.4502 6.4502 6.4523 6.4523 9.8486 9.8486 9.8498 9.8498 10.7050 10.7050 10.7071 10.7071 11.3270 11.3270 11.3317 11.3317 k = 0.5000 0.4867 0.0912 ( 4050 PWs) bands (ev): -54.7072 -54.7072 -54.7072 -54.7072 -30.6992 -30.6992 -30.6989 -30.6989 -28.3552 -28.3552 -28.3548 -28.3548 -28.1838 -28.1838 -28.1837 -28.1837 -10.2158 -10.2158 -10.2154 -10.2154 -9.5316 -9.5316 -9.5312 -9.5312 -9.4139 -9.4139 -9.4128 -9.4128 0.9078 0.9078 0.9114 0.9114 1.1703 1.1703 1.1706 1.1706 1.6642 1.6642 1.6667 1.6667 2.2952 2.2952 2.3072 2.3072 2.9045 2.9045 2.9201 2.9201 3.9178 3.9178 3.9280 3.9280 5.4563 5.4563 5.4597 5.4597 6.2306 6.2306 6.2325 6.2325 6.4527 6.4527 6.4549 6.4549 9.8522 9.8522 9.8537 9.8537 10.7091 10.7091 10.7118 10.7118 11.3184 11.3184 11.3239 11.3239 k = 0.5000 0.4901 0.0808 ( 4042 PWs) bands (ev): -54.7072 -54.7072 -54.7072 -54.7072 -30.6991 -30.6991 -30.6989 -30.6989 -28.3552 -28.3552 -28.3547 -28.3547 -28.1838 -28.1838 -28.1836 -28.1836 -10.2162 -10.2162 -10.2157 -10.2157 -9.5328 -9.5328 -9.5323 -9.5323 -9.4142 -9.4142 -9.4129 -9.4129 0.9051 0.9051 0.9093 0.9093 1.1755 1.1755 1.1758 1.1758 1.6650 1.6650 1.6681 1.6681 2.2967 2.2967 2.3100 2.3100 2.9131 2.9131 2.9305 2.9305 3.9081 3.9081 3.9197 3.9197 5.4579 5.4579 5.4617 5.4617 6.2204 6.2204 6.2224 6.2224 6.4549 6.4549 6.4573 6.4573 9.8564 9.8564 9.8580 9.8580 10.7140 10.7140 10.7172 10.7172 11.3084 11.3084 11.3148 11.3148 k = 0.5000 0.4935 0.0704 ( 4050 PWs) bands (ev): -54.7072 -54.7072 -54.7072 -54.7072 -30.6991 -30.6991 -30.6989 -30.6989 -28.3552 -28.3552 -28.3546 -28.3546 -28.1837 -28.1837 -28.1836 -28.1836 -10.2167 -10.2167 -10.2161 -10.2161 -9.5342 -9.5342 -9.5336 -9.5336 -9.4145 -9.4145 -9.4130 -9.4130 0.9023 0.9023 0.9069 0.9069 1.1814 1.1814 1.1818 1.1818 1.6656 1.6656 1.6692 1.6692 2.2998 2.2998 2.3142 2.3142 2.9211 2.9211 2.9401 2.9401 3.8991 3.8991 3.9119 3.9119 5.4586 5.4586 5.4629 5.4629 6.2102 6.2102 6.2122 6.2122 6.4569 6.4569 6.4593 6.4593 9.8609 9.8609 9.8629 9.8629 10.7197 10.7197 10.7234 10.7234 11.2970 11.2970 11.3043 11.3043 k = 0.5000 0.4970 0.0601 ( 4050 PWs) bands (ev): -54.7073 -54.7073 -54.7073 -54.7073 -30.6991 -30.6991 -30.6988 -30.6988 -28.3552 -28.3552 -28.3545 -28.3545 -28.1837 -28.1837 -28.1836 -28.1836 -10.2172 -10.2172 -10.2165 -10.2165 -9.5357 -9.5357 -9.5351 -9.5351 -9.4149 -9.4149 -9.4131 -9.4131 0.8993 0.8993 0.9044 0.9044 1.1882 1.1882 1.1886 1.1886 1.6658 1.6658 1.6701 1.6701 2.3048 2.3048 2.3200 2.3200 2.9277 2.9277 2.9479 2.9479 3.8914 3.8914 3.9053 3.9053 5.4581 5.4581 5.4628 5.4628 6.2002 6.2002 6.2023 6.2023 6.4584 6.4584 6.4608 6.4608 9.8657 9.8657 9.8680 9.8680 10.7260 10.7260 10.7303 10.7303 11.2845 11.2845 11.2926 11.2926 k = 0.5000 0.5004 0.0497 ( 4048 PWs) bands (ev): -54.7073 -54.7073 -54.7073 -54.7073 -30.6991 -30.6991 -30.6987 -30.6987 -28.3552 -28.3552 -28.3544 -28.3544 -28.1837 -28.1837 -28.1835 -28.1835 -10.2178 -10.2178 -10.2170 -10.2170 -9.5375 -9.5375 -9.5368 -9.5368 -9.4152 -9.4152 -9.4133 -9.4133 0.8962 0.8962 0.9018 0.9018 1.1958 1.1958 1.1961 1.1961 1.6656 1.6656 1.6705 1.6705 2.3118 2.3118 2.3278 2.3278 2.9323 2.9323 2.9534 2.9534 3.8859 3.8859 3.9005 3.9005 5.4560 5.4560 5.4612 5.4612 6.1908 6.1908 6.1929 6.1929 6.4593 6.4593 6.4617 6.4617 9.8708 9.8708 9.8733 9.8733 10.7330 10.7330 10.7379 10.7379 11.2708 11.2708 11.2796 11.2796 k = 0.5000 0.5038 0.0393 ( 4050 PWs) bands (ev): -54.7073 -54.7073 -54.7073 -54.7073 -30.6991 -30.6991 -30.6987 -30.6987 -28.3551 -28.3551 -28.3543 -28.3543 -28.1836 -28.1836 -28.1834 -28.1834 -10.2184 -10.2184 -10.2175 -10.2175 -9.5394 -9.5394 -9.5387 -9.5387 -9.4156 -9.4156 -9.4134 -9.4134 0.8930 0.8930 0.8992 0.8992 1.2041 1.2041 1.2045 1.2045 1.6650 1.6650 1.6705 1.6705 2.3211 2.3211 2.3376 2.3376 2.9342 2.9342 2.9559 2.9559 3.8831 3.8831 3.8982 3.8982 5.4520 5.4520 5.4576 5.4576 6.1822 6.1822 6.1843 6.1843 6.4597 6.4597 6.4620 6.4620 9.8759 9.8759 9.8788 9.8788 10.7406 10.7406 10.7462 10.7462 11.2560 11.2560 11.2656 11.2656 k = 0.5000 0.5038 0.0393 ( 4050 PWs) bands (ev): -54.7073 -54.7073 -54.7073 -54.7073 -30.6991 -30.6991 -30.6987 -30.6987 -28.3551 -28.3551 -28.3543 -28.3543 -28.1836 -28.1836 -28.1834 -28.1834 -10.2184 -10.2184 -10.2175 -10.2175 -9.5394 -9.5394 -9.5387 -9.5387 -9.4156 -9.4156 -9.4134 -9.4134 0.8930 0.8930 0.8992 0.8992 1.2041 1.2041 1.2045 1.2045 1.6650 1.6650 1.6705 1.6705 2.3211 2.3211 2.3376 2.3376 2.9342 2.9342 2.9559 2.9559 3.8831 3.8831 3.8982 3.8982 5.4520 5.4520 5.4576 5.4576 6.1822 6.1822 6.1843 6.1843 6.4597 6.4597 6.4620 6.4620 9.8759 9.8759 9.8788 9.8788 10.7406 10.7406 10.7462 10.7462 11.2560 11.2560 11.2656 11.2656 k = 0.5000 0.5011 0.0284 ( 4050 PWs) bands (ev): -54.7073 -54.7073 -54.7073 -54.7073 -30.6991 -30.6991 -30.6987 -30.6987 -28.3552 -28.3552 -28.3544 -28.3544 -28.1836 -28.1836 -28.1835 -28.1835 -10.2189 -10.2189 -10.2180 -10.2180 -9.5379 -9.5379 -9.5369 -9.5369 -9.4142 -9.4142 -9.4125 -9.4125 0.8923 0.8923 0.8982 0.8982 1.2004 1.2004 1.2010 1.2010 1.6572 1.6572 1.6626 1.6626 2.3255 2.3255 2.3422 2.3422 2.9324 2.9324 2.9546 2.9546 3.8908 3.8908 3.9060 3.9060 5.4415 5.4415 5.4471 5.4471 6.1776 6.1776 6.1797 6.1797 6.4651 6.4651 6.4674 6.4674 9.8844 9.8844 9.8873 9.8873 10.7535 10.7535 10.7583 10.7583 11.2450 11.2450 11.2544 11.2544 k = 0.5000 0.4984 0.0174 ( 4046 PWs) bands (ev): -54.7072 -54.7072 -54.7072 -54.7072 -30.6991 -30.6991 -30.6988 -30.6988 -28.3552 -28.3552 -28.3545 -28.3545 -28.1836 -28.1836 -28.1835 -28.1835 -10.2194 -10.2194 -10.2186 -10.2186 -9.5364 -9.5364 -9.5352 -9.5352 -9.4129 -9.4129 -9.4115 -9.4115 0.8918 0.8918 0.8974 0.8974 1.1970 1.1970 1.1977 1.1977 1.6487 1.6487 1.6540 1.6540 2.3322 2.3322 2.3490 2.3490 2.9269 2.9269 2.9493 2.9493 3.9027 3.9027 3.9177 3.9177 5.4284 5.4284 5.4340 5.4340 6.1743 6.1743 6.1764 6.1764 6.4700 6.4700 6.4722 6.4722 9.8931 9.8931 9.8960 9.8960 10.7667 10.7667 10.7708 10.7708 11.2333 11.2333 11.2425 11.2425 k = 0.5000 0.4957 0.0064 ( 4052 PWs) bands (ev): -54.7073 -54.7073 -54.7073 -54.7073 -30.6991 -30.6991 -30.6988 -30.6988 -28.3552 -28.3552 -28.3546 -28.3546 -28.1837 -28.1837 -28.1835 -28.1835 -10.2199 -10.2199 -10.2192 -10.2192 -9.5350 -9.5350 -9.5337 -9.5337 -9.4116 -9.4116 -9.4105 -9.4105 0.8915 0.8915 0.8969 0.8969 1.1939 1.1939 1.1948 1.1948 1.6398 1.6398 1.6450 1.6450 2.3412 2.3412 2.3581 2.3581 2.9176 2.9176 2.9399 2.9399 3.9184 3.9184 3.9329 3.9329 5.4129 5.4129 5.4184 5.4184 6.1722 6.1722 6.1743 6.1743 6.4745 6.4745 6.4766 6.4766 9.9017 9.9017 9.9046 9.9046 10.7802 10.7802 10.7837 10.7837 11.2209 11.2209 11.2299 11.2299 k = 0.5000 0.4931-0.0045 ( 4048 PWs) bands (ev): -54.7073 -54.7073 -54.7073 -54.7073 -30.6991 -30.6991 -30.6988 -30.6988 -28.3552 -28.3552 -28.3547 -28.3547 -28.1837 -28.1837 -28.1835 -28.1835 -10.2205 -10.2205 -10.2198 -10.2198 -9.5337 -9.5337 -9.5323 -9.5323 -9.4103 -9.4103 -9.4096 -9.4096 0.8915 0.8915 0.8966 0.8966 1.1911 1.1911 1.1921 1.1921 1.6305 1.6305 1.6356 1.6356 2.3527 2.3527 2.3694 2.3694 2.9048 2.9048 2.9266 2.9266 3.9375 3.9375 3.9512 3.9512 5.3954 5.3954 5.4007 5.4007 6.1713 6.1713 6.1733 6.1733 6.4786 6.4786 6.4806 6.4806 9.9102 9.9102 9.9129 9.9129 10.7940 10.7940 10.7968 10.7968 11.2081 11.2081 11.2167 11.2167 k = 0.5000 0.4904-0.0155 ( 4048 PWs) bands (ev): -54.7073 -54.7073 -54.7073 -54.7073 -30.6991 -30.6991 -30.6989 -30.6989 -28.3552 -28.3552 -28.3547 -28.3547 -28.1837 -28.1837 -28.1836 -28.1836 -10.2210 -10.2210 -10.2203 -10.2203 -9.5325 -9.5325 -9.5310 -9.5310 -9.4092 -9.4092 -9.4087 -9.4087 0.8917 0.8917 0.8965 0.8965 1.1886 1.1886 1.1897 1.1897 1.6213 1.6213 1.6262 1.6262 2.3664 2.3664 2.3828 2.3828 2.8887 2.8887 2.9098 2.9098 3.9592 3.9592 3.9720 3.9720 5.3762 5.3762 5.3813 5.3813 6.1714 6.1714 6.1733 6.1733 6.4822 6.4822 6.4841 6.4841 9.9184 9.9184 9.9210 9.9210 10.8080 10.8080 10.8101 10.8101 11.1949 11.1949 11.2031 11.2031 k = 0.5000 0.4877-0.0264 ( 4050 PWs) bands (ev): -54.7073 -54.7073 -54.7073 -54.7073 -30.6991 -30.6991 -30.6989 -30.6989 -28.3552 -28.3552 -28.3548 -28.3548 -28.1837 -28.1837 -28.1836 -28.1836 -10.2215 -10.2215 -10.2209 -10.2209 -9.5314 -9.5314 -9.5299 -9.5299 -9.4081 -9.4081 -9.4078 -9.4078 0.8921 0.8921 0.8964 0.8964 1.1865 1.1865 1.1876 1.1876 1.6123 1.6123 1.6169 1.6169 2.3822 2.3822 2.3982 2.3982 2.8699 2.8699 2.8901 2.8901 3.9826 3.9826 3.9944 3.9944 5.3559 5.3559 5.3608 5.3608 6.1724 6.1724 6.1741 6.1741 6.4855 6.4855 6.4871 6.4871 9.9261 9.9261 9.9286 9.9286 10.8219 10.8219 10.8235 10.8235 11.1815 11.1815 11.1893 11.1893 k = 0.5000 0.4850-0.0374 ( 4044 PWs) bands (ev): -54.7072 -54.7072 -54.7072 -54.7072 -30.6991 -30.6991 -30.6989 -30.6989 -28.3552 -28.3552 -28.3549 -28.3549 -28.1837 -28.1837 -28.1836 -28.1836 -10.2220 -10.2220 -10.2214 -10.2214 -9.5304 -9.5304 -9.5290 -9.5290 -9.4071 -9.4071 -9.4070 -9.4070 0.8926 0.8926 0.8965 0.8965 1.1846 1.1846 1.1857 1.1857 1.6037 1.6037 1.6080 1.6080 2.3997 2.3997 2.4152 2.4152 2.8490 2.8490 2.8682 2.8682 4.0069 4.0069 4.0175 4.0175 5.3353 5.3353 5.3398 5.3398 6.1739 6.1739 6.1755 6.1755 6.4883 6.4883 6.4898 6.4898 9.9333 9.9333 9.9356 9.9356 10.8357 10.8357 10.8367 10.8367 11.1681 11.1681 11.1754 11.1754 k = 0.5000 0.4823-0.0483 ( 4050 PWs) bands (ev): -54.7073 -54.7073 -54.7073 -54.7073 -30.6991 -30.6991 -30.6990 -30.6990 -28.3553 -28.3553 -28.3549 -28.3549 -28.1837 -28.1837 -28.1836 -28.1836 -10.2224 -10.2224 -10.2219 -10.2219 -9.5295 -9.5295 -9.5282 -9.5282 -9.4063 -9.4063 -9.4062 -9.4062 0.8932 0.8932 0.8966 0.8966 1.1830 1.1830 1.1840 1.1840 1.5958 1.5958 1.5996 1.5996 2.4186 2.4186 2.4334 2.4334 2.8266 2.8266 2.8447 2.8447 4.0310 4.0310 4.0403 4.0403 5.3150 5.3150 5.3191 5.3191 6.1758 6.1758 6.1772 6.1772 6.4907 6.4907 6.4920 6.4920 9.9399 9.9399 9.9418 9.9418 10.8491 10.8491 10.8496 10.8496 11.1551 11.1551 11.1618 11.1618 k = 0.5000 0.4796-0.0593 ( 4048 PWs) bands (ev): -54.7073 -54.7073 -54.7073 -54.7073 -30.6991 -30.6991 -30.6990 -30.6990 -28.3553 -28.3553 -28.3550 -28.3550 -28.1837 -28.1837 -28.1836 -28.1836 -10.2228 -10.2228 -10.2224 -10.2224 -9.5287 -9.5287 -9.5276 -9.5276 -9.4055 -9.4055 -9.4055 -9.4055 0.8938 0.8938 0.8968 0.8968 1.1817 1.1817 1.1826 1.1826 1.5887 1.5887 1.5921 1.5921 2.4383 2.4383 2.4523 2.4523 2.8038 2.8038 2.8204 2.8204 4.0539 4.0539 4.0618 4.0618 5.2960 5.2960 5.2995 5.2995 6.1778 6.1778 6.1790 6.1790 6.4927 6.4927 6.4939 6.4939 9.9456 9.9456 9.9473 9.9473 10.8617 10.8617 10.8619 10.8619 11.1428 11.1428 11.1487 11.1487 k = 0.5000 0.4770-0.0703 ( 4050 PWs) bands (ev): -54.7073 -54.7073 -54.7073 -54.7073 -30.6991 -30.6991 -30.6990 -30.6990 -28.3553 -28.3553 -28.3550 -28.3550 -28.1837 -28.1837 -28.1837 -28.1837 -10.2231 -10.2231 -10.2228 -10.2228 -9.5281 -9.5281 -9.5271 -9.5271 -9.4050 -9.4050 -9.4049 -9.4049 0.8945 0.8945 0.8969 0.8969 1.1807 1.1807 1.1815 1.1815 1.5828 1.5828 1.5856 1.5856 2.4583 2.4583 2.4711 2.4711 2.7815 2.7815 2.7964 2.7964 4.0746 4.0746 4.0810 4.0810 5.2789 5.2789 5.2819 5.2819 6.1798 6.1798 6.1808 6.1808 6.4944 6.4944 6.4953 6.4953 9.9505 9.9505 9.9519 9.9519 10.8731 10.8731 10.8733 10.8733 11.1316 11.1316 11.1366 11.1366 k = 0.5000 0.4743-0.0812 ( 4050 PWs) bands (ev): -54.7073 -54.7073 -54.7073 -54.7073 -30.6991 -30.6991 -30.6991 -30.6991 -28.3552 -28.3552 -28.3551 -28.3551 -28.1837 -28.1837 -28.1837 -28.1837 -10.2233 -10.2233 -10.2231 -10.2231 -9.5275 -9.5275 -9.5267 -9.5267 -9.4045 -9.4045 -9.4044 -9.4044 0.8951 0.8951 0.8970 0.8970 1.1799 1.1799 1.1805 1.1805 1.5781 1.5781 1.5803 1.5803 2.4774 2.4774 2.4884 2.4884 2.7612 2.7612 2.7738 2.7738 4.0921 4.0921 4.0969 4.0969 5.2647 5.2647 5.2670 5.2670 6.1816 6.1816 6.1823 6.1823 6.4957 6.4957 6.4964 6.4964 9.9544 9.9544 9.9555 9.9555 10.8828 10.8828 10.8831 10.8831 11.1221 11.1221 11.1261 11.1261 k = 0.5000 0.4716-0.0922 ( 4052 PWs) bands (ev): -54.7073 -54.7073 -54.7073 -54.7073 -30.6991 -30.6991 -30.6991 -30.6991 -28.3552 -28.3552 -28.3551 -28.3551 -28.1837 -28.1837 -28.1837 -28.1837 -10.2235 -10.2235 -10.2233 -10.2233 -9.5270 -9.5270 -9.5265 -9.5265 -9.4042 -9.4042 -9.4041 -9.4041 0.8957 0.8957 0.8969 0.8969 1.1794 1.1794 1.1799 1.1799 1.5748 1.5748 1.5763 1.5763 2.4943 2.4943 2.5027 2.5027 2.7449 2.7449 2.7543 2.7543 4.1055 4.1055 4.1087 4.1087 5.2540 5.2540 5.2556 5.2556 6.1830 6.1830 6.1835 6.1835 6.4967 6.4967 6.4972 6.4972 9.9573 9.9573 9.9580 9.9580 10.8905 10.8905 10.8908 10.8908 11.1148 11.1148 11.1176 11.1176 k = 0.5000 0.4689-0.1031 ( 4044 PWs) bands (ev): -54.7072 -54.7072 -54.7072 -54.7072 -30.6991 -30.6991 -30.6991 -30.6991 -28.3552 -28.3552 -28.3552 -28.3552 -28.1837 -28.1837 -28.1836 -28.1836 -10.2236 -10.2236 -10.2235 -10.2235 -9.5267 -9.5267 -9.5264 -9.5264 -9.4040 -9.4040 -9.4039 -9.4039 0.8962 0.8962 0.8968 0.8968 1.1792 1.1792 1.1794 1.1794 1.5729 1.5729 1.5737 1.5737 2.5069 2.5069 2.5115 2.5115 2.7348 2.7348 2.7399 2.7399 4.1141 4.1141 4.1158 4.1158 5.2476 5.2476 5.2484 5.2484 6.1839 6.1839 6.1842 6.1842 6.4973 6.4973 6.4976 6.4976 9.9591 9.9591 9.9595 9.9595 10.8955 10.8955 10.8957 10.8957 11.1105 11.1105 11.1119 11.1119 k = 0.5000 0.4662-0.1141 ( 4048 PWs) bands (ev): -54.7073 -54.7073 -54.7073 -54.7073 -30.6991 -30.6991 -30.6991 -30.6991 -28.3552 -28.3552 -28.3552 -28.3552 -28.1837 -28.1837 -28.1837 -28.1837 -10.2236 -10.2236 -10.2236 -10.2236 -9.5265 -9.5265 -9.5265 -9.5265 -9.4039 -9.4039 -9.4039 -9.4039 0.8965 0.8965 0.8965 0.8965 1.1792 1.1792 1.1792 1.1792 1.5725 1.5725 1.5725 1.5725 2.5131 2.5131 2.5131 2.5131 2.7329 2.7329 2.7329 2.7329 4.1176 4.1176 4.1176 4.1176 5.2456 5.2456 5.2456 5.2456 6.1843 6.1843 6.1843 6.1843 6.4976 6.4976 6.4976 6.4976 9.9599 9.9599 9.9599 9.9599 10.8973 10.8973 10.8973 10.8973 11.1094 11.1094 11.1094 11.1094 k = 0.5000 0.4662-0.1141 ( 4048 PWs) bands (ev): -54.7073 -54.7073 -54.7073 -54.7073 -30.6991 -30.6991 -30.6991 -30.6991 -28.3552 -28.3552 -28.3552 -28.3552 -28.1837 -28.1837 -28.1837 -28.1837 -10.2236 -10.2236 -10.2236 -10.2236 -9.5265 -9.5265 -9.5265 -9.5265 -9.4039 -9.4039 -9.4039 -9.4039 0.8965 0.8965 0.8965 0.8965 1.1792 1.1792 1.1792 1.1792 1.5725 1.5725 1.5725 1.5725 2.5131 2.5131 2.5131 2.5131 2.7329 2.7329 2.7329 2.7329 4.1176 4.1176 4.1176 4.1176 5.2456 5.2456 5.2456 5.2456 6.1843 6.1843 6.1843 6.1843 6.4976 6.4976 6.4976 6.4976 9.9599 9.9599 9.9599 9.9599 10.8973 10.8973 10.8973 10.8973 11.1094 11.1094 11.1094 11.1094 k = 0.4884 0.4662-0.1141 ( 4050 PWs) bands (ev): -54.7074 -54.7074 -54.7072 -54.7072 -30.6997 -30.6997 -30.6984 -30.6984 -28.3561 -28.3561 -28.3543 -28.3543 -28.1845 -28.1845 -28.1826 -28.1826 -10.2377 -10.2377 -10.2115 -10.2115 -9.5306 -9.5306 -9.5226 -9.5226 -9.4060 -9.4060 -9.4021 -9.4021 0.8772 0.8772 0.9125 0.9125 1.1596 1.1596 1.1999 1.1999 1.5546 1.5546 1.5943 1.5943 2.4678 2.4678 2.5585 2.5585 2.7280 2.7280 2.7443 2.7443 4.0963 4.0963 4.1392 4.1392 5.2261 5.2261 5.2655 5.2655 6.1711 6.1711 6.1961 6.1961 6.4962 6.4962 6.4979 6.4979 9.9512 9.9512 9.9677 9.9677 10.8908 10.8908 10.9046 10.9046 11.1069 11.1069 11.1088 11.1088 k = 0.4767 0.4662-0.1141 ( 4058 PWs) bands (ev): -54.7076 -54.7076 -54.7072 -54.7072 -30.7003 -30.7003 -30.6977 -30.6977 -28.3570 -28.3570 -28.3534 -28.3534 -28.1852 -28.1852 -28.1814 -28.1814 -10.2537 -10.2537 -10.2015 -10.2015 -9.5348 -9.5348 -9.5189 -9.5189 -9.4084 -9.4084 -9.4005 -9.4005 0.8548 0.8548 0.9252 0.9252 1.1413 1.1413 1.2216 1.2216 1.5412 1.5412 1.6184 1.6184 2.4272 2.4272 2.5955 2.5955 2.7359 2.7359 2.7597 2.7597 4.0755 4.0755 4.1608 4.1608 5.2070 5.2070 5.2857 5.2857 6.1564 6.1564 6.2064 6.2064 6.4938 6.4938 6.4971 6.4971 9.9417 9.9417 9.9747 9.9747 10.8854 10.8854 10.9127 10.9127 11.1012 11.1012 11.1049 11.1049 k = 0.4651 0.4662-0.1141 ( 4060 PWs) bands (ev): -54.7078 -54.7078 -54.7071 -54.7071 -30.7008 -30.7008 -30.6969 -30.6969 -28.3578 -28.3578 -28.3525 -28.3525 -28.1856 -28.1856 -28.1800 -28.1800 -10.2717 -10.2717 -10.1936 -10.1936 -9.5391 -9.5391 -9.5155 -9.5155 -9.4111 -9.4111 -9.3992 -9.3992 0.8298 0.8298 0.9347 0.9347 1.1244 1.1244 1.2442 1.2442 1.5325 1.5325 1.6427 1.6427 2.3946 2.3946 2.6145 2.6145 2.7611 2.7611 2.7824 2.7824 4.0552 4.0552 4.1826 4.1826 5.1884 5.1884 5.3061 5.3061 6.1403 6.1403 6.2152 6.2152 6.4903 6.4903 6.4952 6.4952 9.9314 9.9314 9.9809 9.9809 10.8810 10.8810 10.9214 10.9214 11.0925 11.0925 11.0978 11.0978 k = 0.4535 0.4662-0.1141 ( 4062 PWs) bands (ev): -54.7079 -54.7079 -54.7070 -54.7070 -30.7012 -30.7012 -30.6960 -30.6960 -28.3586 -28.3586 -28.3516 -28.3516 -28.1857 -28.1857 -28.1783 -28.1783 -10.2916 -10.2916 -10.1878 -10.1878 -9.5436 -9.5436 -9.5122 -9.5122 -9.4141 -9.4141 -9.3982 -9.3982 0.8029 0.8029 0.9414 0.9414 1.1090 1.1090 1.2677 1.2677 1.5285 1.5285 1.6643 1.6643 2.3727 2.3727 2.6175 2.6175 2.7852 2.7852 2.8274 2.8274 4.0356 4.0356 4.2042 4.2042 5.1703 5.1703 5.3266 5.3266 6.1226 6.1226 6.2225 6.2225 6.4858 6.4858 6.4922 6.4922 9.9206 9.9206 9.9865 9.9865 10.8776 10.8776 10.9304 10.9304 11.0811 11.0811 11.0876 11.0876 k = 0.4419 0.4662-0.1141 ( 4064 PWs) bands (ev): -54.7081 -54.7081 -54.7069 -54.7069 -30.7016 -30.7016 -30.6951 -30.6951 -28.3594 -28.3594 -28.3507 -28.3507 -28.1857 -28.1857 -28.1765 -28.1765 -10.3132 -10.3132 -10.1842 -10.1842 -9.5481 -9.5481 -9.5093 -9.5093 -9.4174 -9.4174 -9.3974 -9.3974 0.7751 0.7751 0.9457 0.9457 1.0950 1.0950 1.2923 1.2923 1.5287 1.5287 1.6802 1.6802 2.3641 2.3641 2.6129 2.6129 2.8048 2.8048 2.8890 2.8890 4.0170 4.0170 4.2257 4.2257 5.1528 5.1528 5.3469 5.3469 6.1034 6.1034 6.2281 6.2281 6.4803 6.4803 6.4883 6.4883 9.9095 9.9095 9.9916 9.9916 10.8751 10.8751 10.9394 10.9394 11.0673 11.0673 11.0745 11.0745 k = 0.4302 0.4662-0.1141 ( 4068 PWs) bands (ev): -54.7083 -54.7083 -54.7068 -54.7068 -30.7019 -30.7019 -30.6941 -30.6941 -28.3602 -28.3602 -28.3498 -28.3498 -28.1854 -28.1854 -28.1744 -28.1744 -10.3366 -10.3366 -10.1827 -10.1827 -9.5527 -9.5527 -9.5066 -9.5066 -9.4210 -9.4210 -9.3967 -9.3967 0.7471 0.7471 0.9480 0.9480 1.0824 1.0824 1.3179 1.3179 1.5326 1.5326 1.6881 1.6881 2.3706 2.3706 2.6056 2.6056 2.8241 2.8241 2.9575 2.9575 3.9996 3.9996 4.2469 4.2469 5.1358 5.1358 5.3669 5.3669 6.0827 6.0827 6.2321 6.2321 6.4739 6.4739 6.4834 6.4834 9.8983 9.8983 9.9965 9.9965 10.8734 10.8734 10.9477 10.9477 11.0517 11.0517 11.0589 11.0589 k = 0.4186 0.4662-0.1141 ( 4068 PWs) bands (ev): -54.7085 -54.7085 -54.7068 -54.7068 -30.7021 -30.7021 -30.6931 -30.6931 -28.3610 -28.3610 -28.3489 -28.3489 -28.1850 -28.1850 -28.1722 -28.1722 -10.3615 -10.3615 -10.1833 -10.1833 -9.5574 -9.5574 -9.5042 -9.5042 -9.4248 -9.4248 -9.3962 -9.3962 0.7197 0.7197 0.9486 0.9486 1.0710 1.0710 1.3448 1.3448 1.5397 1.5397 1.6867 1.6867 2.3924 2.3924 2.5977 2.5977 2.8437 2.8437 3.0297 3.0297 3.9836 3.9836 4.2677 4.2677 5.1193 5.1193 5.3863 5.3863 6.0605 6.0605 6.2342 6.2342 6.4667 6.4667 6.4777 6.4777 9.8874 9.8874 10.0014 10.0014 10.8721 10.8721 10.9541 10.9541 11.0349 11.0349 11.0418 11.0418 k = 0.4070 0.4662-0.1141 ( 4072 PWs) bands (ev): -54.7088 -54.7088 -54.7067 -54.7067 -30.7023 -30.7023 -30.6920 -30.6920 -28.3617 -28.3617 -28.3480 -28.3480 -28.1843 -28.1843 -28.1699 -28.1699 -10.3879 -10.3879 -10.1860 -10.1860 -9.5621 -9.5621 -9.5021 -9.5021 -9.4288 -9.4288 -9.3957 -9.3957 0.6937 0.6937 0.9479 0.9479 1.0608 1.0608 1.3729 1.3729 1.5495 1.5495 1.6767 1.6767 2.4279 2.4279 2.5902 2.5902 2.8639 2.8639 3.1044 3.1044 3.9694 3.9694 4.2882 4.2882 5.1034 5.1034 5.4048 5.4048 6.0370 6.0370 6.2343 6.2343 6.4587 6.4587 6.4714 6.4714 9.8772 9.8772 10.0066 10.0066 10.8708 10.8708 10.9563 10.9563 11.0160 11.0160 11.0272 11.0272 k = 0.3953 0.4662-0.1141 ( 4068 PWs) bands (ev): -54.7089 -54.7089 -54.7066 -54.7066 -30.7023 -30.7023 -30.6909 -30.6909 -28.3624 -28.3624 -28.3471 -28.3471 -28.1834 -28.1834 -28.1673 -28.1673 -10.4158 -10.4158 -10.1908 -10.1908 -9.5668 -9.5668 -9.5004 -9.5004 -9.4330 -9.4330 -9.3954 -9.3954 0.6694 0.6694 0.9462 0.9462 1.0516 1.0516 1.4023 1.4023 1.5614 1.5614 1.6598 1.6598 2.4743 2.4743 2.5839 2.5839 2.8848 2.8848 3.1805 3.1805 3.9574 3.9574 4.3081 4.3081 5.0880 5.0880 5.4219 5.4219 6.0122 6.0122 6.2321 6.2321 6.4500 6.4500 6.4648 6.4648 9.8680 9.8680 10.0124 10.0124 10.8685 10.8685 10.9510 10.9510 10.9939 10.9939 11.0203 11.0203 k = 0.3837 0.4662-0.1141 ( 4062 PWs) bands (ev): -54.7091 -54.7091 -54.7066 -54.7066 -30.7023 -30.7023 -30.6897 -30.6897 -28.3631 -28.3631 -28.3462 -28.3462 -28.1822 -28.1822 -28.1646 -28.1646 -10.4449 -10.4449 -10.1976 -10.1976 -9.5715 -9.5715 -9.4990 -9.4990 -9.4373 -9.4373 -9.3950 -9.3950 0.6475 0.6475 0.9436 0.9436 1.0434 1.0434 1.4329 1.4329 1.5748 1.5748 1.6382 1.6382 2.5272 2.5272 2.5805 2.5805 2.9067 2.9067 3.2576 3.2576 3.9480 3.9480 4.3274 4.3274 5.0731 5.0731 5.4372 5.4372 5.9865 5.9865 6.2273 6.2273 6.4406 6.4406 6.4580 6.4580 9.8604 9.8604 10.0191 10.0191 10.8637 10.8637 10.9389 10.9389 10.9702 10.9702 11.0213 11.0213 k = 0.3721 0.4662-0.1141 ( 4058 PWs) bands (ev): -54.7092 -54.7092 -54.7065 -54.7065 -30.7023 -30.7023 -30.6885 -30.6885 -28.3638 -28.3638 -28.3454 -28.3454 -28.1809 -28.1809 -28.1617 -28.1617 -10.4752 -10.4752 -10.2064 -10.2064 -9.5762 -9.5762 -9.4979 -9.4979 -9.4417 -9.4417 -9.3947 -9.3947 0.6282 0.6282 0.9405 0.9405 1.0362 1.0362 1.4648 1.4648 1.5875 1.5875 1.6157 1.6157 2.5652 2.5652 2.5983 2.5983 2.9297 2.9297 3.3351 3.3351 3.9418 3.9418 4.3461 4.3461 5.0587 5.0587 5.4499 5.4499 5.9602 5.9602 6.2196 6.2196 6.4305 6.4305 6.4513 6.4513 9.8548 9.8548 10.0269 10.0269 10.8538 10.8538 10.9236 10.9236 10.9472 10.9472 11.0267 11.0267 k = 0.3605 0.4662-0.1141 ( 4056 PWs) bands (ev): -54.7094 -54.7094 -54.7064 -54.7064 -30.7022 -30.7022 -30.6873 -30.6873 -28.3645 -28.3645 -28.3445 -28.3445 -28.1794 -28.1794 -28.1587 -28.1587 -10.5065 -10.5065 -10.2171 -10.2171 -9.5810 -9.5810 -9.4971 -9.4971 -9.4461 -9.4461 -9.3944 -9.3944 0.6117 0.6117 0.9369 0.9369 1.0298 1.0298 1.4971 1.4971 1.5814 1.5814 1.6122 1.6122 2.5681 2.5681 2.6549 2.6549 2.9542 2.9542 3.4126 3.4126 3.9394 3.9394 4.3641 4.3641 5.0448 5.0448 5.4593 5.4593 5.9339 5.9339 6.2088 6.2088 6.4198 6.4198 6.4450 6.4450 9.8516 9.8516 10.0363 10.0363 10.8369 10.8369 10.9035 10.9035 10.9315 10.9315 11.0340 11.0340 k = 0.3488 0.4662-0.1141 ( 4054 PWs) bands (ev): -54.7097 -54.7097 -54.7063 -54.7063 -30.7020 -30.7020 -30.6860 -30.6860 -28.3651 -28.3651 -28.3437 -28.3437 -28.1777 -28.1777 -28.1556 -28.1556 -10.5388 -10.5388 -10.2295 -10.2295 -9.5857 -9.5857 -9.4967 -9.4967 -9.4506 -9.4506 -9.3940 -9.3940 0.5983 0.5983 0.9330 0.9330 1.0243 1.0243 1.5250 1.5250 1.5629 1.5629 1.6271 1.6271 2.5689 2.5689 2.7146 2.7146 2.9808 2.9808 3.4898 3.4898 3.9417 3.9417 4.3813 4.3813 5.0314 5.0314 5.4644 5.4644 5.9082 5.9082 6.1947 6.1947 6.4085 6.4085 6.4393 6.4393 9.8514 9.8514 10.0475 10.0475 10.8136 10.8136 10.8770 10.8770 10.9256 10.9256 11.0420 11.0420 k = 0.3372 0.4662-0.1141 ( 4054 PWs) bands (ev): -54.7099 -54.7099 -54.7063 -54.7063 -30.7018 -30.7018 -30.6848 -30.6848 -28.3657 -28.3657 -28.3429 -28.3429 -28.1759 -28.1759 -28.1524 -28.1524 -10.5718 -10.5718 -10.2437 -10.2437 -9.5904 -9.5904 -9.4966 -9.4966 -9.4549 -9.4549 -9.3936 -9.3936 0.5880 0.5880 0.9288 0.9288 1.0196 1.0196 1.5185 1.5185 1.5782 1.5782 1.6440 1.6440 2.5715 2.5715 2.7711 2.7711 3.0101 3.0101 3.5663 3.5663 3.9495 3.9495 4.3977 4.3977 5.0183 5.0183 5.4642 5.4642 5.8839 5.8839 6.1771 6.1771 6.3967 6.3967 6.4342 6.4342 9.8545 9.8545 10.0609 10.0609 10.7862 10.7862 10.8474 10.8474 10.9249 10.9249 11.0499 11.0499 k = 0.3256 0.4662-0.1141 ( 4048 PWs) bands (ev): -54.7101 -54.7101 -54.7062 -54.7062 -30.7015 -30.7015 -30.6835 -30.6835 -28.3663 -28.3663 -28.3421 -28.3421 -28.1738 -28.1738 -28.1490 -28.1490 -10.6054 -10.6054 -10.2594 -10.2594 -9.5950 -9.5950 -9.4968 -9.4968 -9.4593 -9.4593 -9.3932 -9.3932 0.5808 0.5808 0.9245 0.9245 1.0158 1.0158 1.4939 1.4939 1.6132 1.6132 1.6614 1.6614 2.5765 2.5765 2.8219 2.8219 3.0423 3.0423 3.6417 3.6417 3.9638 3.9638 4.4132 4.4132 5.0058 5.0058 5.4577 5.4577 5.8619 5.8619 6.1560 6.1560 6.3844 6.3844 6.4298 6.4298 9.8615 9.8615 10.0766 10.0766 10.7565 10.7565 10.8165 10.8165 10.9267 10.9267 11.0576 11.0576 k = 0.3140 0.4662-0.1141 ( 4046 PWs) bands (ev): -54.7103 -54.7103 -54.7062 -54.7062 -30.7012 -30.7012 -30.6822 -30.6822 -28.3669 -28.3669 -28.3414 -28.3414 -28.1716 -28.1716 -28.1456 -28.1456 -10.6396 -10.6396 -10.2765 -10.2765 -9.5997 -9.5997 -9.4973 -9.4973 -9.4635 -9.4635 -9.3927 -9.3927 0.5767 0.5767 0.9202 0.9202 1.0129 1.0129 1.4682 1.4682 1.6511 1.6511 1.6791 1.6791 2.5842 2.5842 2.8656 2.8656 3.0769 3.0769 3.7157 3.7157 3.9854 3.9854 4.4278 4.4278 4.9936 4.9936 5.4438 5.4438 5.8429 5.8429 6.1314 6.1314 6.3717 6.3717 6.4261 6.4261 9.8726 9.8726 10.0950 10.0950 10.7258 10.7258 10.7848 10.7848 10.9296 10.9296 11.0648 11.0648 k = 0.3023 0.4662-0.1141 ( 4050 PWs) bands (ev): -54.7106 -54.7106 -54.7062 -54.7062 -30.7008 -30.7008 -30.6809 -30.6809 -28.3675 -28.3675 -28.3407 -28.3407 -28.1693 -28.1693 -28.1422 -28.1422 -10.6741 -10.6741 -10.2950 -10.2950 -9.6043 -9.6043 -9.4980 -9.4980 -9.4676 -9.4676 -9.3921 -9.3921 0.5755 0.5755 0.9158 0.9158 1.0109 1.0109 1.4432 1.4432 1.6871 1.6871 1.6998 1.6998 2.5949 2.5949 2.9022 2.9022 3.1125 3.1125 3.7881 3.7881 4.0150 4.0150 4.4414 4.4414 4.9819 4.9819 5.4223 5.4223 5.8272 5.8272 6.1035 6.1035 6.3586 6.3586 6.4230 6.4230 9.8882 9.8882 10.1164 10.1164 10.6947 10.6947 10.7528 10.7528 10.9333 10.9333 11.0715 11.0715 k = 0.2907 0.4662-0.1141 ( 4046 PWs) bands (ev): -54.7108 -54.7108 -54.7062 -54.7062 -30.7004 -30.7004 -30.6796 -30.6796 -28.3680 -28.3680 -28.3400 -28.3400 -28.1669 -28.1669 -28.1387 -28.1387 -10.7087 -10.7087 -10.3146 -10.3146 -9.6089 -9.6089 -9.4989 -9.4989 -9.4715 -9.4715 -9.3916 -9.3916 0.5773 0.5773 0.9114 0.9114 1.0099 1.0099 1.4193 1.4193 1.7079 1.7079 1.7361 1.7361 2.6088 2.6088 2.9326 2.9326 3.1471 3.1471 3.8584 3.8584 4.0529 4.0529 4.4541 4.4541 4.9707 4.9707 5.3933 5.3933 5.8145 5.8145 6.0723 6.0723 6.3451 6.3451 6.4204 6.4204 9.9085 9.9085 10.1409 10.1409 10.6640 10.6640 10.7207 10.7207 10.9373 10.9373 11.0775 11.0775 k = 0.2791 0.4662-0.1141 ( 4040 PWs) bands (ev): -54.7110 -54.7110 -54.7062 -54.7062 -30.7000 -30.7000 -30.6783 -30.6783 -28.3685 -28.3685 -28.3394 -28.3394 -28.1643 -28.1643 -28.1351 -28.1351 -10.7434 -10.7434 -10.3351 -10.3351 -9.6134 -9.6134 -9.5001 -9.5001 -9.4752 -9.4752 -9.3909 -9.3909 0.5817 0.5817 0.9072 0.9072 1.0101 1.0101 1.3969 1.3969 1.7231 1.7231 1.7782 1.7782 2.6260 2.6260 2.9581 2.9581 3.1791 3.1791 3.9267 3.9267 4.0986 4.0986 4.4657 4.4657 4.9599 4.9599 5.3574 5.3574 5.8041 5.8041 6.0381 6.0381 6.3313 6.3313 6.4181 6.4181 9.9336 9.9336 10.1687 10.1687 10.6340 10.6340 10.6888 10.6888 10.9415 10.9415 11.0830 11.0830 k = 0.2674 0.4662-0.1141 ( 4042 PWs) bands (ev): -54.7112 -54.7112 -54.7062 -54.7062 -30.6995 -30.6995 -30.6770 -30.6770 -28.3690 -28.3690 -28.3388 -28.3388 -28.1617 -28.1617 -28.1315 -28.1315 -10.7780 -10.7780 -10.3565 -10.3565 -9.6180 -9.6180 -9.5014 -9.5014 -9.4788 -9.4788 -9.3903 -9.3903 0.5885 0.5885 0.9030 0.9030 1.0114 1.0114 1.3760 1.3760 1.7365 1.7365 1.8217 1.8217 2.6466 2.6466 2.9798 2.9798 3.2072 3.2072 3.9928 3.9928 4.1512 4.1512 4.4765 4.4765 4.9496 4.9496 5.3158 5.3158 5.7952 5.7952 6.0010 6.0010 6.3172 6.3172 6.4161 6.4161 9.9634 9.9634 10.2000 10.2000 10.6053 10.6053 10.6573 10.6573 10.9457 10.9457 11.0878 11.0878 k = 0.2558 0.4662-0.1141 ( 4036 PWs) bands (ev): -54.7114 -54.7114 -54.7062 -54.7062 -30.6990 -30.6990 -30.6757 -30.6757 -28.3695 -28.3695 -28.3382 -28.3382 -28.1589 -28.1589 -28.1279 -28.1279 -10.8124 -10.8124 -10.3786 -10.3786 -9.6224 -9.6224 -9.5029 -9.5029 -9.4822 -9.4822 -9.3896 -9.3896 0.5975 0.5975 0.8989 0.8989 1.0140 1.0140 1.3567 1.3567 1.7484 1.7484 1.8661 1.8661 2.6707 2.6707 2.9986 2.9986 3.2314 3.2314 4.0564 4.0564 4.2093 4.2093 4.4865 4.4865 4.9400 4.9400 5.2695 5.2695 5.7867 5.7867 5.9612 5.9612 6.3030 6.3030 6.4142 6.4142 9.9978 9.9978 10.2348 10.2348 10.5785 10.5785 10.6267 10.6267 10.9499 10.9499 11.0920 11.0920 k = 0.2442 0.4662-0.1141 ( 4034 PWs) bands (ev): -54.7116 -54.7116 -54.7062 -54.7062 -30.6985 -30.6985 -30.6745 -30.6745 -28.3700 -28.3700 -28.3377 -28.3377 -28.1561 -28.1561 -28.1244 -28.1244 -10.8464 -10.8464 -10.4011 -10.4011 -9.6268 -9.6268 -9.5045 -9.5045 -9.4853 -9.4853 -9.3890 -9.3890 0.6082 0.6082 0.8949 0.8949 1.0182 1.0182 1.3389 1.3389 1.7588 1.7588 1.9113 1.9113 2.6981 2.6981 3.0150 3.0150 3.2518 3.2518 4.1170 4.1170 4.2714 4.2714 4.4959 4.4959 4.9312 4.9312 5.2196 5.2196 5.7779 5.7779 5.9189 5.9189 6.2887 6.2887 6.4124 6.4124 10.0363 10.0363 10.2730 10.2730 10.5540 10.5540 10.5974 10.5974 10.9540 10.9540 11.0955 11.0955 k = 0.2326 0.4662-0.1141 ( 4030 PWs) bands (ev): -54.7118 -54.7118 -54.7062 -54.7062 -30.6979 -30.6979 -30.6733 -30.6733 -28.3705 -28.3705 -28.3372 -28.3372 -28.1533 -28.1533 -28.1208 -28.1208 -10.8798 -10.8798 -10.4239 -10.4239 -9.6310 -9.6310 -9.5062 -9.5062 -9.4883 -9.4883 -9.3883 -9.3883 0.6204 0.6204 0.8911 0.8911 1.0239 1.0239 1.3227 1.3227 1.7676 1.7676 1.9569 1.9569 2.7289 2.7289 3.0295 3.0295 3.2693 3.2693 4.1736 4.1736 4.3359 4.3359 4.5051 4.5051 4.9233 4.9233 5.1675 5.1675 5.7680 5.7680 5.8744 5.8744 6.2744 6.2744 6.4105 6.4105 10.0779 10.0779 10.3141 10.3141 10.5326 10.5326 10.5702 10.5702 10.9581 10.9581 11.0986 11.0986 k = 0.2209 0.4662-0.1141 ( 4030 PWs) bands (ev): -54.7120 -54.7120 -54.7062 -54.7062 -30.6974 -30.6974 -30.6721 -30.6721 -28.3709 -28.3709 -28.3367 -28.3367 -28.1504 -28.1504 -28.1173 -28.1173 -10.9126 -10.9126 -10.4468 -10.4468 -9.6352 -9.6352 -9.5080 -9.5080 -9.4911 -9.4911 -9.3876 -9.3876 0.6336 0.6336 0.8874 0.8874 1.0316 1.0316 1.3080 1.3080 1.7750 1.7750 2.0028 2.0028 2.7629 2.7629 3.0422 3.0422 3.2844 3.2844 4.2249 4.2249 4.4010 4.4010 4.5150 4.5150 4.9166 4.9166 5.1143 5.1143 5.7567 5.7567 5.8278 5.8278 6.2601 6.2601 6.4085 6.4085 10.1213 10.1213 10.3569 10.3569 10.5147 10.5147 10.5476 10.5476 10.9622 10.9622 11.1010 11.1010 k = 0.2093 0.4662-0.1141 ( 4030 PWs) bands (ev): -54.7123 -54.7123 -54.7062 -54.7062 -30.6969 -30.6969 -30.6709 -30.6709 -28.3714 -28.3714 -28.3363 -28.3363 -28.1475 -28.1475 -28.1139 -28.1139 -10.9446 -10.9446 -10.4698 -10.4698 -9.6393 -9.6393 -9.5098 -9.5098 -9.4937 -9.4937 -9.3870 -9.3870 0.6474 0.6474 0.8839 0.8839 1.0412 1.0412 1.2949 1.2949 1.7810 1.7810 2.0488 2.0488 2.7999 2.7999 3.0533 3.0533 3.2980 3.2980 4.2690 4.2690 4.4642 4.4642 4.5272 4.5272 4.9118 4.9118 5.0616 5.0616 5.7435 5.7435 5.7795 5.7795 6.2461 6.2461 6.4063 6.4063 10.1639 10.1639 10.3981 10.3981 10.4992 10.4992 10.5361 10.5361 10.9664 10.9664 11.1031 11.1031 k = 0.1977 0.4662-0.1141 ( 4028 PWs) bands (ev): -54.7125 -54.7125 -54.7062 -54.7062 -30.6963 -30.6963 -30.6699 -30.6699 -28.3718 -28.3718 -28.3359 -28.3359 -28.1446 -28.1446 -28.1106 -28.1106 -10.9756 -10.9756 -10.4925 -10.4925 -9.6433 -9.6433 -9.5117 -9.5117 -9.4960 -9.4960 -9.3863 -9.3863 0.6613 0.6613 0.8806 0.8806 1.0531 1.0531 1.2831 1.2831 1.7857 1.7857 2.0944 2.0944 2.8396 2.8396 3.0630 3.0630 3.3108 3.3108 4.3039 4.3039 4.5163 4.5163 4.5494 4.5494 4.9096 4.9096 5.0111 5.0111 5.7279 5.7279 5.7301 5.7301 6.2323 6.2323 6.4040 6.4040 10.2020 10.2020 10.4276 10.4276 10.4893 10.4893 10.5460 10.5460 10.9708 10.9708 11.1047 11.1047 k = 0.1860 0.4662-0.1141 ( 4030 PWs) bands (ev): -54.7127 -54.7127 -54.7062 -54.7062 -30.6958 -30.6958 -30.6688 -30.6688 -28.3722 -28.3722 -28.3355 -28.3355 -28.1418 -28.1418 -28.1073 -28.1073 -11.0056 -11.0056 -10.5148 -10.5148 -9.6471 -9.6471 -9.5136 -9.5136 -9.4983 -9.4983 -9.3857 -9.3857 0.6750 0.6750 0.8774 0.8774 1.0673 1.0673 1.2728 1.2728 1.7892 1.7892 2.1395 2.1395 2.8818 2.8818 3.0715 3.0715 3.3232 3.3232 4.3278 4.3278 4.5412 4.5412 4.5954 4.5954 4.9111 4.9111 4.9658 4.9658 5.6786 5.6786 5.7112 5.7112 6.2188 6.2188 6.4014 6.4014 10.2311 10.2311 10.4292 10.4292 10.5016 10.5016 10.5808 10.5808 10.9756 10.9756 11.1061 11.1061 k = 0.1744 0.4662-0.1141 ( 4028 PWs) bands (ev): -54.7128 -54.7128 -54.7063 -54.7063 -30.6952 -30.6952 -30.6678 -30.6678 -28.3725 -28.3725 -28.3351 -28.3351 -28.1391 -28.1391 -28.1042 -28.1042 -11.0344 -11.0344 -10.5367 -10.5367 -9.6507 -9.6507 -9.5154 -9.5154 -9.5003 -9.5003 -9.3851 -9.3851 0.6880 0.6880 0.8744 0.8744 1.0838 1.0838 1.2638 1.2638 1.7917 1.7917 2.1838 2.1838 2.9260 2.9260 3.0790 3.0790 3.3359 3.3359 4.3401 4.3401 4.5555 4.5555 4.6432 4.6432 4.9148 4.9148 4.9325 4.9325 5.6267 5.6267 5.6920 5.6920 6.2058 6.2058 6.3986 6.3986 10.2483 10.2483 10.4132 10.4132 10.5353 10.5353 10.6328 10.6328 10.9811 10.9811 11.1073 11.1073 k = 0.1628 0.4662-0.1141 ( 4028 PWs) bands (ev): -54.7130 -54.7130 -54.7063 -54.7063 -30.6947 -30.6947 -30.6668 -30.6668 -28.3729 -28.3729 -28.3348 -28.3348 -28.1364 -28.1364 -28.1011 -28.1011 -11.0619 -11.0619 -10.5579 -10.5579 -9.6542 -9.6542 -9.5172 -9.5172 -9.5022 -9.5022 -9.3846 -9.3846 0.7001 0.7001 0.8716 0.8716 1.1024 1.1024 1.2561 1.2561 1.7932 1.7932 2.2269 2.2269 2.9718 2.9718 3.0858 3.0858 3.3489 3.3489 4.3414 4.3414 4.5633 4.5633 4.6814 4.6814 4.8995 4.8995 4.9393 4.9393 5.5744 5.5744 5.6709 5.6709 6.1933 6.1933 6.3956 6.3956 10.2547 10.2547 10.3935 10.3935 10.5820 10.5820 10.6937 10.6937 10.9877 10.9877 11.1085 11.1085 k = 0.1512 0.4662-0.1141 ( 4028 PWs) bands (ev): -54.7132 -54.7132 -54.7064 -54.7064 -30.6942 -30.6942 -30.6659 -30.6659 -28.3732 -28.3732 -28.3345 -28.3345 -28.1338 -28.1338 -28.0983 -28.0983 -11.0880 -11.0880 -10.5782 -10.5782 -9.6575 -9.6575 -9.5189 -9.5189 -9.5039 -9.5039 -9.3840 -9.3840 0.7110 0.7110 0.8689 0.8689 1.1230 1.1230 1.2498 1.2498 1.7940 1.7940 2.2685 2.2685 3.0184 3.0184 3.0926 3.0926 3.3627 3.3627 4.3327 4.3327 4.5615 4.5615 4.7071 4.7071 4.8907 4.8907 4.9652 4.9652 5.5221 5.5221 5.6481 5.6481 6.1812 6.1812 6.3923 6.3923 10.2536 10.2536 10.3738 10.3738 10.6370 10.6370 10.7594 10.7594 10.9964 10.9964 11.1101 11.1101 k = 0.1395 0.4662-0.1141 ( 4022 PWs) bands (ev): -54.7133 -54.7133 -54.7064 -54.7064 -30.6937 -30.6937 -30.6650 -30.6650 -28.3735 -28.3735 -28.3343 -28.3343 -28.1313 -28.1313 -28.0955 -28.0955 -11.1126 -11.1126 -10.5977 -10.5977 -9.6606 -9.6606 -9.5206 -9.5206 -9.5055 -9.5055 -9.3836 -9.3836 0.7208 0.7208 0.8665 0.8665 1.1450 1.1450 1.2451 1.2451 1.7940 1.7940 2.3082 2.3082 3.0626 3.0626 3.1023 3.1023 3.3772 3.3772 4.3153 4.3153 4.5492 4.5492 4.7218 4.7218 4.8966 4.8966 5.0002 5.0002 5.4702 5.4702 5.6239 5.6239 6.1698 6.1698 6.3888 6.3888 10.2483 10.2483 10.3549 10.3549 10.6957 10.6957 10.8274 10.8274 11.0082 11.0082 11.1128 11.1128 k = 0.1279 0.4662-0.1141 ( 4020 PWs) bands (ev): -54.7134 -54.7134 -54.7064 -54.7064 -30.6932 -30.6932 -30.6642 -30.6642 -28.3738 -28.3738 -28.3340 -28.3340 -28.1289 -28.1289 -28.0930 -28.0930 -11.1356 -11.1356 -10.6160 -10.6160 -9.6635 -9.6635 -9.5222 -9.5222 -9.5070 -9.5070 -9.3831 -9.3831 0.7292 0.7292 0.8642 0.8642 1.1672 1.1672 1.2425 1.2425 1.7935 1.7935 2.3457 2.3457 3.0891 3.0891 3.1300 3.1300 3.3925 3.3925 4.2903 4.2903 4.5292 4.5292 4.7288 4.7288 4.9140 4.9140 5.0403 5.0403 5.4195 5.4195 5.5985 5.5985 6.1590 6.1590 6.3850 6.3850 10.2410 10.2410 10.3371 10.3371 10.7531 10.7531 10.8953 10.8953 11.0247 11.0247 11.1181 11.1181 k = 0.1163 0.4662-0.1141 ( 4022 PWs) bands (ev): -54.7136 -54.7136 -54.7064 -54.7064 -30.6927 -30.6927 -30.6634 -30.6634 -28.3741 -28.3741 -28.3338 -28.3338 -28.1266 -28.1266 -28.0906 -28.0906 -11.1569 -11.1569 -10.6332 -10.6332 -9.6662 -9.6662 -9.5236 -9.5236 -9.5083 -9.5083 -9.3827 -9.3827 0.7365 0.7365 0.8621 0.8621 1.1877 1.1877 1.2434 1.2434 1.7925 1.7925 2.3807 2.3807 3.0977 3.0977 3.1756 3.1756 3.4085 3.4085 4.2590 4.2590 4.5055 4.5055 4.7309 4.7309 4.9389 4.9389 5.0819 5.0819 5.3707 5.3707 5.5721 5.5721 6.1489 6.1489 6.3812 6.3812 10.2328 10.2328 10.3208 10.3208 10.8042 10.8042 10.9608 10.9608 11.0460 11.0460 11.1302 11.1302 k = 0.1047 0.4662-0.1141 ( 4022 PWs) bands (ev): -54.7138 -54.7138 -54.7064 -54.7064 -30.6923 -30.6923 -30.6628 -30.6628 -28.3743 -28.3743 -28.3337 -28.3337 -28.1245 -28.1245 -28.0884 -28.0884 -11.1764 -11.1764 -10.6491 -10.6491 -9.6687 -9.6687 -9.5250 -9.5250 -9.5095 -9.5095 -9.3823 -9.3823 0.7427 0.7427 0.8602 0.8602 1.2023 1.2023 1.2514 1.2514 1.7911 1.7911 2.4129 2.4129 3.1026 3.1026 3.2244 3.2244 3.4252 3.4252 4.2231 4.2231 4.4806 4.4806 4.7299 4.7299 4.9681 4.9681 5.1220 5.1220 5.3248 5.3248 5.5451 5.5451 6.1394 6.1394 6.3773 6.3773 10.2245 10.2245 10.3059 10.3059 10.8446 10.8446 11.0226 11.0226 11.0669 11.0669 11.1577 11.1577 k = 0.0930 0.4662-0.1141 ( 4016 PWs) bands (ev): -54.7140 -54.7140 -54.7063 -54.7063 -30.6919 -30.6919 -30.6622 -30.6622 -28.3745 -28.3745 -28.3335 -28.3335 -28.1226 -28.1226 -28.0864 -28.0864 -11.1941 -11.1941 -10.6635 -10.6635 -9.6709 -9.6709 -9.5262 -9.5262 -9.5105 -9.5105 -9.3820 -9.3820 0.7478 0.7478 0.8584 0.8584 1.2088 1.2088 1.2678 1.2678 1.7895 1.7895 2.4419 2.4419 3.1065 3.1065 3.2734 3.2734 3.4421 3.4421 4.1843 4.1843 4.4560 4.4560 4.7267 4.7267 4.9996 4.9996 5.1570 5.1570 5.2845 5.2845 5.5176 5.5176 6.1308 6.1308 6.3733 6.3733 10.2167 10.2167 10.2925 10.2925 10.8729 10.8729 11.0693 11.0693 11.0933 11.0933 11.2043 11.2043 k = 0.0814 0.4662-0.1141 ( 4020 PWs) bands (ev): -54.7141 -54.7141 -54.7064 -54.7064 -30.6916 -30.6916 -30.6616 -30.6616 -28.3747 -28.3747 -28.3334 -28.3334 -28.1209 -28.1209 -28.0847 -28.0847 -11.2098 -11.2098 -10.6765 -10.6765 -9.6729 -9.6729 -9.5273 -9.5273 -9.5115 -9.5115 -9.3817 -9.3817 0.7521 0.7521 0.8569 0.8569 1.2107 1.2107 1.2887 1.2887 1.7876 1.7876 2.4678 2.4678 3.1099 3.1099 3.3215 3.3215 3.4591 3.4591 4.1444 4.1444 4.4324 4.4324 4.7223 4.7223 5.0319 5.0319 5.1786 5.1786 5.2578 5.2578 5.4900 5.4900 6.1229 6.1229 6.3695 6.3695 10.2095 10.2095 10.2807 10.2807 10.8913 10.8913 11.0791 11.0791 11.1502 11.1502 11.2618 11.2618 k = 0.0698 0.4662-0.1141 ( 4018 PWs) bands (ev): -54.7142 -54.7142 -54.7064 -54.7064 -30.6913 -30.6913 -30.6611 -30.6611 -28.3748 -28.3748 -28.3332 -28.3332 -28.1194 -28.1194 -28.0831 -28.0831 -11.2236 -11.2236 -10.6879 -10.6879 -9.6747 -9.6747 -9.5283 -9.5283 -9.5123 -9.5123 -9.3815 -9.3815 0.7555 0.7555 0.8556 0.8556 1.2108 1.2108 1.3102 1.3102 1.7857 1.7857 2.4902 2.4902 3.1129 3.1129 3.3677 3.3677 3.4756 3.4756 4.1050 4.1050 4.4101 4.4101 4.7172 4.7172 5.0640 5.0640 5.1711 5.1711 5.2602 5.2602 5.4625 5.4625 6.1159 6.1159 6.3658 6.3658 10.2032 10.2032 10.2704 10.2704 10.9031 10.9031 11.0822 11.0822 11.2098 11.2098 11.3216 11.3216 k = 0.0581 0.4662-0.1141 ( 4014 PWs) bands (ev): -54.7142 -54.7142 -54.7064 -54.7064 -30.6910 -30.6910 -30.6607 -30.6607 -28.3750 -28.3750 -28.3331 -28.3331 -28.1181 -28.1181 -28.0818 -28.0818 -11.2354 -11.2354 -10.6977 -10.6977 -9.6761 -9.6761 -9.5291 -9.5291 -9.5129 -9.5129 -9.3812 -9.3812 0.7583 0.7583 0.8545 0.8545 1.2104 1.2104 1.3306 1.3306 1.7838 1.7838 2.5092 2.5092 3.1156 3.1156 3.4110 3.4110 3.4911 3.4911 4.0676 4.0676 4.3896 4.3896 4.7118 4.7118 5.0952 5.0952 5.1473 5.1473 5.2797 5.2797 5.4353 5.4353 6.1099 6.1099 6.3625 6.3625 10.1977 10.1977 10.2617 10.2617 10.9109 10.9109 11.0835 11.0835 11.2663 11.2663 11.3789 11.3789 k = 0.0465 0.4662-0.1141 ( 4014 PWs) bands (ev): -54.7143 -54.7143 -54.7064 -54.7064 -30.6908 -30.6908 -30.6604 -30.6604 -28.3751 -28.3751 -28.3330 -28.3330 -28.1170 -28.1170 -28.0807 -28.0807 -11.2450 -11.2450 -10.7058 -10.7058 -9.6774 -9.6774 -9.5298 -9.5298 -9.5135 -9.5135 -9.3811 -9.3811 0.7605 0.7605 0.8535 0.8535 1.2098 1.2098 1.3486 1.3486 1.7820 1.7820 2.5246 2.5246 3.1179 3.1179 3.4504 3.4504 3.5051 3.5051 4.0334 4.0334 4.3715 4.3715 4.7065 4.7065 5.1166 5.1166 5.1314 5.1314 5.3001 5.3001 5.4089 5.4089 6.1049 6.1049 6.3596 6.3596 10.1932 10.1932 10.2545 10.2545 10.9160 10.9160 11.0841 11.0841 11.3170 11.3170 11.4301 11.4301 k = 0.0349 0.4662-0.1141 ( 4010 PWs) bands (ev): -54.7143 -54.7143 -54.7064 -54.7064 -30.6906 -30.6906 -30.6601 -30.6601 -28.3752 -28.3752 -28.3329 -28.3329 -28.1162 -28.1162 -28.0798 -28.0798 -11.2526 -11.2526 -10.7121 -10.7121 -9.6783 -9.6783 -9.5303 -9.5303 -9.5139 -9.5139 -9.3809 -9.3809 0.7621 0.7621 0.8528 0.8528 1.2094 1.2094 1.3634 1.3634 1.7805 1.7805 2.5366 2.5366 3.1197 3.1197 3.4843 3.4843 3.5167 3.5167 4.0039 4.0039 4.3564 4.3564 4.7018 4.7018 5.0997 5.0997 5.1555 5.1555 5.3172 5.3172 5.3839 5.3839 6.1009 6.1009 6.3572 6.3572 10.1897 10.1897 10.2490 10.2490 10.9194 10.9194 11.0843 11.0843 11.3594 11.3594 11.4729 11.4729 k = 0.0233 0.4662-0.1141 ( 4008 PWs) bands (ev): -54.7143 -54.7143 -54.7064 -54.7064 -30.6905 -30.6905 -30.6599 -30.6599 -28.3753 -28.3753 -28.3329 -28.3329 -28.1156 -28.1156 -28.0792 -28.0792 -11.2580 -11.2580 -10.7166 -10.7166 -9.6790 -9.6790 -9.5307 -9.5307 -9.5142 -9.5142 -9.3808 -9.3808 0.7632 0.7632 0.8523 0.8523 1.2090 1.2090 1.3744 1.3744 1.7792 1.7792 2.5451 2.5451 3.1211 3.1211 3.5108 3.5108 3.5256 3.5256 3.9808 3.9808 4.3449 4.3449 4.6981 4.6981 5.0846 5.0846 5.1798 5.1798 5.3296 5.3296 5.3619 5.3619 6.0980 6.0980 6.3554 6.3554 10.1872 10.1872 10.2450 10.2450 10.9215 10.9215 11.0844 11.0844 11.3916 11.3916 11.5051 11.5051 k = 0.0116 0.4662-0.1141 ( 4008 PWs) bands (ev): -54.7143 -54.7143 -54.7064 -54.7064 -30.6904 -30.6904 -30.6598 -30.6598 -28.3753 -28.3753 -28.3329 -28.3329 -28.1152 -28.1152 -28.0788 -28.0788 -11.2613 -11.2613 -10.7194 -10.7194 -9.6794 -9.6794 -9.5309 -9.5309 -9.5144 -9.5144 -9.3808 -9.3808 0.7638 0.7638 0.8520 0.8520 1.2088 1.2088 1.3812 1.3812 1.7785 1.7785 2.5502 2.5502 3.1219 3.1219 3.5279 3.5279 3.5312 3.5312 3.9659 3.9659 4.3377 4.3377 4.6956 4.6956 5.0753 5.0753 5.1979 5.1979 5.3356 5.3356 5.3469 5.3469 6.0963 6.0963 6.3543 6.3543 10.1856 10.1856 10.2427 10.2427 10.9227 10.9227 11.0844 11.0844 11.4116 11.4116 11.5251 11.5251 k = 0.0000 0.4662-0.1141 ( 4014 PWs) bands (ev): -54.7144 -54.7144 -54.7064 -54.7064 -30.6904 -30.6904 -30.6598 -30.6598 -28.3753 -28.3753 -28.3329 -28.3329 -28.1151 -28.1151 -28.0787 -28.0787 -11.2623 -11.2623 -10.7203 -10.7203 -9.6795 -9.6795 -9.5310 -9.5310 -9.5145 -9.5145 -9.3808 -9.3808 0.7640 0.7640 0.8519 0.8519 1.2087 1.2087 1.3835 1.3835 1.7782 1.7782 2.5519 2.5519 3.1222 3.1222 3.5330 3.5330 3.5339 3.5339 3.9607 3.9607 4.3353 4.3353 4.6948 4.6948 5.0721 5.0721 5.2049 5.2049 5.3344 5.3344 5.3442 5.3442 6.0957 6.0957 6.3539 6.3539 10.1851 10.1851 10.2419 10.2419 10.9231 10.9231 11.0844 11.0844 11.4185 11.4185 11.5319 11.5319 k = 0.0000 0.4662-0.1141 ( 4014 PWs) bands (ev): -54.7144 -54.7144 -54.7064 -54.7064 -30.6904 -30.6904 -30.6598 -30.6598 -28.3753 -28.3753 -28.3329 -28.3329 -28.1151 -28.1151 -28.0787 -28.0787 -11.2623 -11.2623 -10.7203 -10.7203 -9.6795 -9.6795 -9.5310 -9.5310 -9.5145 -9.5145 -9.3808 -9.3808 0.7640 0.7640 0.8519 0.8519 1.2087 1.2087 1.3835 1.3835 1.7782 1.7782 2.5519 2.5519 3.1222 3.1222 3.5330 3.5330 3.5339 3.5339 3.9607 3.9607 4.3353 4.3353 4.6948 4.6948 5.0721 5.0721 5.2049 5.2049 5.3344 5.3344 5.3442 5.3442 6.0957 6.0957 6.3539 6.3539 10.1851 10.1851 10.2419 10.2419 10.9231 10.9231 11.0844 11.0844 11.4185 11.4185 11.5319 11.5319 k = 0.0000 0.4689-0.1031 ( 4012 PWs) bands (ev): -54.7144 -54.7144 -54.7064 -54.7064 -30.6904 -30.6904 -30.6598 -30.6598 -28.3753 -28.3753 -28.3329 -28.3329 -28.1151 -28.1151 -28.0787 -28.0787 -11.2623 -11.2623 -10.7203 -10.7203 -9.6796 -9.6796 -9.5326 -9.5326 -9.5130 -9.5130 -9.3808 -9.3808 0.7629 0.7629 0.8534 0.8534 1.2095 1.2095 1.3834 1.3834 1.7795 1.7795 2.5522 2.5522 3.1174 3.1174 3.5239 3.5239 3.5431 3.5431 3.9643 3.9643 4.3336 4.3336 4.6951 4.6951 5.0714 5.0714 5.2062 5.2062 5.3291 5.3291 5.3493 5.3493 6.0957 6.0957 6.3540 6.3540 10.1850 10.1850 10.2418 10.2418 10.9228 10.9228 11.0849 11.0849 11.4170 11.4170 11.5334 11.5334 k = 0.0000 0.4716-0.0922 ( 4012 PWs) bands (ev): -54.7144 -54.7144 -54.7064 -54.7064 -30.6904 -30.6904 -30.6598 -30.6598 -28.3753 -28.3753 -28.3329 -28.3329 -28.1151 -28.1151 -28.0787 -28.0787 -11.2623 -11.2623 -10.7203 -10.7203 -9.6796 -9.6796 -9.5364 -9.5364 -9.5098 -9.5098 -9.3808 -9.3808 0.7597 0.7597 0.8575 0.8575 1.2118 1.2118 1.3830 1.3830 1.7834 1.7834 2.5531 2.5531 3.1035 3.1035 3.5146 3.5146 3.5528 3.5528 3.9746 3.9746 4.3285 4.3285 4.6959 4.6959 5.0695 5.0695 5.2096 5.2096 5.3208 5.3208 5.3573 5.3573 6.0957 6.0957 6.3543 6.3543 10.1845 10.1845 10.2416 10.2416 10.9219 10.9219 11.0865 11.0865 11.4127 11.4127 11.5374 11.5374 k = 0.0000 0.4743-0.0812 ( 4011 PWs) bands (ev): -54.7144 -54.7144 -54.7064 -54.7064 -30.6904 -30.6904 -30.6598 -30.6598 -28.3753 -28.3753 -28.3329 -28.3329 -28.1151 -28.1151 -28.0787 -28.0787 -11.2622 -11.2622 -10.7203 -10.7203 -9.6797 -9.6797 -9.5412 -9.5412 -9.5059 -9.5059 -9.3808 -9.3808 0.7551 0.7551 0.8636 0.8636 1.2157 1.2157 1.3824 1.3824 1.7897 1.7897 2.5545 2.5545 3.0813 3.0813 3.5056 3.5056 3.5626 3.5626 3.9906 3.9906 4.3202 4.3202 4.6976 4.6976 5.0668 5.0668 5.2147 5.2147 5.3121 5.3121 5.3655 5.3655 6.0957 6.0957 6.3548 6.3548 10.1837 10.1837 10.2412 10.2412 10.9205 10.9205 11.0890 11.0890 11.4062 11.4062 11.5435 11.5435 k = 0.0000 0.4770-0.0703 ( 4020 PWs) bands (ev): -54.7144 -54.7144 -54.7065 -54.7065 -30.6904 -30.6904 -30.6598 -30.6598 -28.3754 -28.3754 -28.3329 -28.3329 -28.1151 -28.1151 -28.0787 -28.0787 -11.2622 -11.2622 -10.7202 -10.7202 -9.6799 -9.6799 -9.5464 -9.5464 -9.5019 -9.5019 -9.3809 -9.3809 0.7498 0.7498 0.8709 0.8709 1.2213 1.2213 1.3816 1.3816 1.7984 1.7984 2.5565 2.5565 3.0520 3.0520 3.4969 3.4969 3.5723 3.5723 4.0106 4.0106 4.3089 4.3089 4.7005 4.7005 5.0637 5.0637 5.2208 5.2208 5.3035 5.3035 5.3737 5.3737 6.0958 6.0958 6.3554 6.3554 10.1827 10.1827 10.2408 10.2408 10.9186 10.9186 11.0924 11.0924 11.3981 11.3981 11.5511 11.5511 k = 0.0000 0.4796-0.0593 ( 4022 PWs) bands (ev): -54.7144 -54.7144 -54.7065 -54.7065 -30.6904 -30.6904 -30.6598 -30.6598 -28.3754 -28.3754 -28.3328 -28.3328 -28.1151 -28.1151 -28.0786 -28.0786 -11.2621 -11.2621 -10.7202 -10.7202 -9.6801 -9.6801 -9.5517 -9.5517 -9.4980 -9.4980 -9.3810 -9.3810 0.7444 0.7444 0.8787 0.8787 1.2288 1.2288 1.3806 1.3806 1.8094 1.8094 2.5590 2.5590 3.0170 3.0170 3.4886 3.4886 3.5819 3.5819 4.0328 4.0328 4.2953 4.2953 4.7050 4.7050 5.0607 5.0607 5.2268 5.2268 5.2954 5.2954 5.3816 5.3816 6.0959 6.0959 6.3560 6.3560 10.1813 10.1813 10.2401 10.2401 10.9165 10.9165 11.0963 11.0963 11.3889 11.3889 11.5596 11.5596 k = 0.0000 0.4823-0.0483 ( 4021 PWs) bands (ev): -54.7144 -54.7144 -54.7065 -54.7065 -30.6904 -30.6904 -30.6598 -30.6598 -28.3754 -28.3754 -28.3328 -28.3328 -28.1151 -28.1151 -28.0786 -28.0786 -11.2619 -11.2619 -10.7201 -10.7201 -9.6804 -9.6804 -9.5571 -9.5571 -9.4944 -9.4944 -9.3811 -9.3811 0.7392 0.7392 0.8865 0.8865 1.2383 1.2383 1.3795 1.3795 1.8224 1.8224 2.5621 2.5621 2.9775 2.9775 3.4807 3.4807 3.5914 3.5914 4.0549 4.0549 4.2805 4.2805 4.7117 4.7117 5.0579 5.0579 5.2319 5.2319 5.2882 5.2882 5.3894 5.3894 6.0962 6.0962 6.3564 6.3564 10.1796 10.1796 10.2394 10.2394 10.9141 10.9141 11.1008 11.1008 11.3791 11.3791 11.5686 11.5686 k = 0.0000 0.4850-0.0374 ( 4023 PWs) bands (ev): -54.7144 -54.7144 -54.7065 -54.7065 -30.6904 -30.6904 -30.6597 -30.6597 -28.3754 -28.3754 -28.3328 -28.3328 -28.1151 -28.1151 -28.0786 -28.0786 -11.2618 -11.2618 -10.7200 -10.7200 -9.6808 -9.6808 -9.5626 -9.5626 -9.4910 -9.4910 -9.3812 -9.3812 0.7345 0.7345 0.8940 0.8940 1.2497 1.2497 1.3783 1.3783 1.8372 1.8372 2.5655 2.5655 2.9346 2.9346 3.4733 3.4733 3.6007 3.6007 4.0738 4.0738 4.2662 4.2662 4.7209 4.7209 5.0556 5.0556 5.2347 5.2347 5.2828 5.2828 5.3971 5.3971 6.0965 6.0965 6.3566 6.3566 10.1777 10.1777 10.2384 10.2384 10.9117 10.9117 11.1056 11.1056 11.3690 11.3690 11.5778 11.5778 k = 0.0000 0.4877-0.0264 ( 4025 PWs) bands (ev): -54.7144 -54.7144 -54.7066 -54.7066 -30.6904 -30.6904 -30.6597 -30.6597 -28.3754 -28.3754 -28.3327 -28.3327 -28.1151 -28.1151 -28.0785 -28.0785 -11.2617 -11.2617 -10.7200 -10.7200 -9.6813 -9.6813 -9.5679 -9.5679 -9.4879 -9.4879 -9.3814 -9.3814 0.7304 0.7304 0.9009 0.9009 1.2630 1.2630 1.3772 1.3772 1.8535 1.8535 2.5693 2.5693 2.8894 2.8894 3.4665 3.4665 3.6098 3.6098 4.0861 4.0861 4.2555 4.2555 4.7330 4.7330 5.0537 5.0537 5.2340 5.2340 5.2803 5.2803 5.4045 5.4045 6.0971 6.0971 6.3564 6.3564 10.1754 10.1754 10.2374 10.2374 10.9093 10.9093 11.1105 11.1105 11.3588 11.3588 11.5870 11.5870 k = 0.0000 0.4904-0.0155 ( 4029 PWs) bands (ev): -54.7144 -54.7144 -54.7066 -54.7066 -30.6905 -30.6905 -30.6597 -30.6597 -28.3754 -28.3754 -28.3327 -28.3327 -28.1151 -28.1151 -28.0785 -28.0785 -11.2616 -11.2616 -10.7199 -10.7199 -9.6819 -9.6819 -9.5731 -9.5731 -9.4851 -9.4851 -9.3816 -9.3816 0.7272 0.7272 0.9072 0.9072 1.2781 1.2781 1.3762 1.3762 1.8711 1.8711 2.5735 2.5735 2.8429 2.8429 3.4603 3.4603 3.6185 3.6185 4.0878 4.0878 4.2517 4.2517 4.7481 4.7481 5.0523 5.0523 5.2297 5.2297 5.2807 5.2807 5.4117 5.4117 6.0978 6.0978 6.3557 6.3557 10.1729 10.1729 10.2362 10.2362 10.9069 10.9069 11.1155 11.1155 11.3487 11.3487 11.5960 11.5960 k = 0.0000 0.4931-0.0045 ( 4026 PWs) bands (ev): -54.7144 -54.7144 -54.7066 -54.7066 -30.6905 -30.6905 -30.6596 -30.6596 -28.3754 -28.3754 -28.3326 -28.3326 -28.1151 -28.1151 -28.0784 -28.0784 -11.2615 -11.2615 -10.7199 -10.7199 -9.6826 -9.6826 -9.5781 -9.5781 -9.4827 -9.4827 -9.3819 -9.3819 0.7249 0.7249 0.9128 0.9128 1.2945 1.2945 1.3758 1.3758 1.8897 1.8897 2.5780 2.5780 2.7956 2.7956 3.4546 3.4546 3.6270 3.6270 4.0779 4.0779 4.2558 4.2558 4.7663 4.7663 5.0512 5.0512 5.2226 5.2226 5.2829 5.2829 5.4187 5.4187 6.0988 6.0988 6.3544 6.3544 10.1702 10.1702 10.2348 10.2348 10.9047 10.9047 11.1203 11.1203 11.3387 11.3387 11.6047 11.6047 k = 0.0000 0.4957 0.0064 ( 4028 PWs) bands (ev): -54.7144 -54.7144 -54.7067 -54.7067 -30.6905 -30.6905 -30.6596 -30.6596 -28.3754 -28.3754 -28.3325 -28.3325 -28.1151 -28.1151 -28.0784 -28.0784 -11.2615 -11.2615 -10.7198 -10.7198 -9.6835 -9.6835 -9.5828 -9.5828 -9.4805 -9.4805 -9.3822 -9.3822 0.7235 0.7235 0.9177 0.9177 1.3113 1.3113 1.3766 1.3766 1.9090 1.9090 2.5826 2.5826 2.7484 2.7484 3.4496 3.4496 3.6351 3.6351 4.0587 4.0587 4.2656 4.2656 4.7874 4.7874 5.0504 5.0504 5.2140 5.2140 5.2859 5.2859 5.4256 5.4256 6.1000 6.1000 6.3523 6.3523 10.1671 10.1671 10.2333 10.2333 10.9026 10.9026 11.1249 11.1249 11.3291 11.3291 11.6131 11.6131 k = 0.0000 0.4984 0.0174 ( 4033 PWs) bands (ev): -54.7144 -54.7144 -54.7067 -54.7067 -30.6905 -30.6905 -30.6596 -30.6596 -28.3753 -28.3753 -28.3324 -28.3324 -28.1151 -28.1151 -28.0783 -28.0783 -11.2615 -11.2615 -10.7197 -10.7197 -9.6845 -9.6845 -9.5873 -9.5873 -9.4786 -9.4786 -9.3826 -9.3826 0.7230 0.7230 0.9221 0.9221 1.3269 1.3269 1.3800 1.3800 1.9287 1.9287 2.5874 2.5874 2.7019 2.7019 3.4453 3.4453 3.6428 3.6428 4.0337 4.0337 4.2779 4.2779 4.8112 4.8112 5.0498 5.0498 5.2044 5.2044 5.2889 5.2889 5.4322 5.4322 6.1014 6.1014 6.3494 6.3494 10.1639 10.1639 10.2317 10.2317 10.9006 10.9006 11.1293 11.1293 11.3198 11.3198 11.6210 11.6210 k = 0.0000 0.5011 0.0284 ( 4032 PWs) bands (ev): -54.7145 -54.7145 -54.7067 -54.7067 -30.6904 -30.6904 -30.6595 -30.6595 -28.3753 -28.3753 -28.3324 -28.3324 -28.1151 -28.1151 -28.0783 -28.0783 -11.2615 -11.2615 -10.7197 -10.7197 -9.6857 -9.6857 -9.5915 -9.5915 -9.4770 -9.4770 -9.3831 -9.3831 0.7236 0.7236 0.9261 0.9261 1.3385 1.3385 1.3882 1.3882 1.9485 1.9485 2.5923 2.5923 2.6569 2.6569 3.4417 3.4417 3.6501 3.6501 4.0057 4.0057 4.2906 4.2906 4.8370 4.8370 5.0492 5.0492 5.1944 5.1944 5.2917 5.2917 5.4387 5.4387 6.1032 6.1032 6.3455 6.3455 10.1603 10.1603 10.2299 10.2299 10.8988 10.8988 11.1332 11.1332 11.3111 11.3111 11.6283 11.6284 k = 0.0000 0.5038 0.0393 ( 4044 PWs) bands (ev): -54.7145 -54.7145 -54.7068 -54.7068 -30.6905 -30.6905 -30.6595 -30.6595 -28.3753 -28.3753 -28.3323 -28.3323 -28.1152 -28.1152 -28.0782 -28.0782 -11.2616 -11.2616 -10.7197 -10.7197 -9.6871 -9.6871 -9.5954 -9.5954 -9.4756 -9.4756 -9.3838 -9.3838 0.7252 0.7252 0.9298 0.9298 1.3447 1.3447 1.4024 1.4024 1.9681 1.9681 2.5963 2.5963 2.6145 2.6145 3.4387 3.4387 3.6569 3.6569 3.9764 3.9764 4.3025 4.3025 4.8641 4.8641 5.0486 5.0486 5.1842 5.1842 5.2943 5.2943 5.4450 5.4450 6.1052 6.1052 6.3407 6.3407 10.1566 10.1566 10.2279 10.2279 10.8971 10.8971 11.1367 11.1367 11.3028 11.3028 11.6351 11.6351 k = 0.5000 0.4287 0.2675 ( 4050 PWs) bands (ev): -54.7073 -54.7073 -54.7073 -54.7073 -30.6991 -30.6991 -30.6987 -30.6987 -28.3551 -28.3551 -28.3543 -28.3543 -28.1836 -28.1836 -28.1834 -28.1834 -10.2184 -10.2184 -10.2175 -10.2175 -9.5394 -9.5394 -9.5387 -9.5387 -9.4156 -9.4156 -9.4134 -9.4134 0.8930 0.8930 0.8992 0.8992 1.2041 1.2041 1.2045 1.2045 1.6650 1.6650 1.6705 1.6705 2.3211 2.3211 2.3376 2.3376 2.9342 2.9342 2.9559 2.9559 3.8831 3.8831 3.8982 3.8982 5.4520 5.4520 5.4576 5.4576 6.1822 6.1822 6.1843 6.1843 6.4597 6.4597 6.4620 6.4620 9.8759 9.8759 9.8788 9.8788 10.7406 10.7406 10.7462 10.7462 11.2560 11.2560 11.2656 11.2656 k = 0.5000 0.4171 0.2675 ( 4046 PWs) bands (ev): -54.7073 -54.7073 -54.7073 -54.7073 -30.6990 -30.6990 -30.6985 -30.6985 -28.3550 -28.3550 -28.3539 -28.3539 -28.1835 -28.1835 -28.1832 -28.1832 -10.2187 -10.2187 -10.2177 -10.2177 -9.5477 -9.5477 -9.5472 -9.5472 -9.4190 -9.4190 -9.4157 -9.4157 0.8892 0.8892 0.8964 0.8964 1.2308 1.2308 1.2310 1.2310 1.6788 1.6788 1.6857 1.6857 2.3360 2.3360 2.3526 2.3526 2.9358 2.9358 2.9568 2.9568 3.8705 3.8705 3.8856 3.8856 5.4595 5.4595 5.4657 5.4657 6.1752 6.1752 6.1772 6.1772 6.4480 6.4480 6.4502 6.4502 9.8698 9.8698 9.8733 9.8733 10.7311 10.7311 10.7393 10.7393 11.2449 11.2449 11.2561 11.2561 k = 0.5000 0.4055 0.2675 ( 4052 PWs) bands (ev): -54.7073 -54.7073 -54.7073 -54.7073 -30.6988 -30.6988 -30.6982 -30.6982 -28.3547 -28.3547 -28.3534 -28.3534 -28.1833 -28.1833 -28.1830 -28.1830 -10.2193 -10.2193 -10.2181 -10.2181 -9.5584 -9.5584 -9.5580 -9.5580 -9.4225 -9.4225 -9.4184 -9.4184 0.8865 0.8865 0.8945 0.8945 1.2619 1.2619 1.2626 1.2626 1.6964 1.6964 1.7049 1.7049 2.3520 2.3520 2.3686 2.3686 2.9389 2.9389 2.9590 2.9590 3.8585 3.8585 3.8735 3.8735 5.4671 5.4671 5.4740 5.4740 6.1667 6.1667 6.1685 6.1685 6.4330 6.4330 6.4351 6.4351 9.8625 9.8625 9.8665 9.8665 10.7185 10.7185 10.7294 10.7294 11.2323 11.2323 11.2449 11.2449 k = 0.5000 0.3939 0.2675 ( 4048 PWs) bands (ev): -54.7073 -54.7073 -54.7073 -54.7073 -30.6986 -30.6986 -30.6979 -30.6979 -28.3544 -28.3544 -28.3528 -28.3528 -28.1831 -28.1831 -28.1827 -28.1827 -10.2200 -10.2200 -10.2186 -10.2186 -9.5718 -9.5718 -9.5713 -9.5713 -9.4261 -9.4261 -9.4213 -9.4213 0.8851 0.8851 0.8937 0.8937 1.2968 1.2968 1.2983 1.2983 1.7183 1.7183 1.7286 1.7286 2.3688 2.3688 2.3856 2.3856 2.9436 2.9436 2.9627 2.9627 3.8469 3.8469 3.8620 3.8620 5.4748 5.4748 5.4823 5.4823 6.1567 6.1567 6.1583 6.1583 6.4150 6.4150 6.4169 6.4169 9.8540 9.8540 9.8585 9.8585 10.7030 10.7030 10.7165 10.7165 11.2184 11.2184 11.2323 11.2323 k = 0.5000 0.3824 0.2675 ( 4048 PWs) bands (ev): -54.7073 -54.7073 -54.7073 -54.7073 -30.6984 -30.6984 -30.6976 -30.6976 -28.3540 -28.3540 -28.3522 -28.3522 -28.1828 -28.1828 -28.1824 -28.1824 -10.2208 -10.2208 -10.2193 -10.2193 -9.5877 -9.5877 -9.5870 -9.5870 -9.4294 -9.4294 -9.4242 -9.4242 0.8849 0.8849 0.8939 0.8939 1.3347 1.3347 1.3375 1.3375 1.7449 1.7449 1.7571 1.7571 2.3866 2.3866 2.4033 2.4033 2.9499 2.9499 2.9678 2.9678 3.8360 3.8360 3.8511 3.8511 5.4826 5.4826 5.4907 5.4907 6.1451 6.1451 6.1466 6.1466 6.3938 6.3938 6.3957 6.3957 9.8445 9.8445 9.8494 9.8494 10.6846 10.6846 10.7007 10.7007 11.2035 11.2035 11.2186 11.2186 k = 0.5000 0.3708 0.2675 ( 4046 PWs) bands (ev): -54.7073 -54.7073 -54.7073 -54.7073 -30.6981 -30.6981 -30.6972 -30.6972 -28.3535 -28.3535 -28.3515 -28.3515 -28.1825 -28.1825 -28.1820 -28.1820 -10.2219 -10.2219 -10.2201 -10.2201 -9.6062 -9.6062 -9.6050 -9.6050 -9.4325 -9.4325 -9.4270 -9.4270 0.8859 0.8859 0.8950 0.8950 1.3748 1.3748 1.3792 1.3792 1.7770 1.7770 1.7911 1.7911 2.4052 2.4052 2.4218 2.4218 2.9579 2.9579 2.9746 2.9746 3.8257 3.8257 3.8407 3.8407 5.4905 5.4905 5.4991 5.4991 6.1318 6.1318 6.1331 6.1331 6.3696 6.3696 6.3715 6.3715 9.8340 9.8340 9.8392 9.8392 10.6635 10.6635 10.6821 10.6821 11.1878 11.1878 11.2038 11.2038 k = 0.5000 0.3592 0.2675 ( 4044 PWs) bands (ev): -54.7074 -54.7074 -54.7074 -54.7074 -30.6978 -30.6978 -30.6968 -30.6968 -28.3530 -28.3530 -28.3508 -28.3508 -28.1821 -28.1821 -28.1816 -28.1816 -10.2231 -10.2231 -10.2212 -10.2212 -9.6270 -9.6270 -9.6253 -9.6253 -9.4353 -9.4353 -9.4297 -9.4297 0.8879 0.8879 0.8971 0.8971 1.4164 1.4164 1.4225 1.4225 1.8150 1.8150 1.8310 1.8310 2.4245 2.4245 2.4409 2.4409 2.9678 2.9678 2.9830 2.9830 3.8162 3.8162 3.8310 3.8310 5.4983 5.4983 5.5076 5.5076 6.1167 6.1167 6.1179 6.1179 6.3425 6.3425 6.3444 6.3444 9.8226 9.8226 9.8280 9.8280 10.6399 10.6399 10.6609 10.6609 11.1715 11.1715 11.1884 11.1884 k = 0.5000 0.3476 0.2675 ( 4042 PWs) bands (ev): -54.7074 -54.7074 -54.7074 -54.7074 -30.6975 -30.6975 -30.6964 -30.6964 -28.3524 -28.3524 -28.3500 -28.3500 -28.1817 -28.1817 -28.1811 -28.1811 -10.2245 -10.2245 -10.2224 -10.2224 -9.6499 -9.6499 -9.6476 -9.6476 -9.4378 -9.4378 -9.4322 -9.4322 0.8907 0.8907 0.8999 0.8999 1.4587 1.4587 1.4667 1.4667 1.8594 1.8594 1.8771 1.8771 2.4444 2.4444 2.4605 2.4605 2.9797 2.9797 2.9932 2.9932 3.8074 3.8074 3.8221 3.8221 5.5062 5.5062 5.5159 5.5159 6.0998 6.0998 6.1010 6.1010 6.3126 6.3126 6.3146 6.3146 9.8104 9.8104 9.8160 9.8160 10.6139 10.6139 10.6373 10.6373 11.1550 11.1550 11.1725 11.1725 k = 0.5000 0.3360 0.2675 ( 4042 PWs) bands (ev): -54.7074 -54.7074 -54.7074 -54.7074 -30.6971 -30.6971 -30.6959 -30.6959 -28.3517 -28.3517 -28.3492 -28.3492 -28.1813 -28.1813 -28.1806 -28.1806 -10.2262 -10.2262 -10.2239 -10.2239 -9.6748 -9.6748 -9.6717 -9.6717 -9.4401 -9.4401 -9.4346 -9.4346 0.8942 0.8942 0.9033 0.9033 1.5013 1.5013 1.5109 1.5109 1.9107 1.9107 1.9296 1.9296 2.4648 2.4648 2.4804 2.4804 2.9939 2.9939 3.0054 3.0054 3.7994 3.7994 3.8140 3.8140 5.5139 5.5139 5.5242 5.5242 6.0809 6.0809 6.0820 6.0820 6.2800 6.2800 6.2822 6.2822 9.7976 9.7976 9.8032 9.8032 10.5857 10.5857 10.6115 10.6115 11.1384 11.1384 11.1564 11.1564 k = 0.5000 0.3244 0.2675 ( 4040 PWs) bands (ev): -54.7074 -54.7074 -54.7074 -54.7074 -30.6967 -30.6967 -30.6954 -30.6954 -28.3510 -28.3510 -28.3483 -28.3483 -28.1808 -28.1808 -28.1801 -28.1801 -10.2281 -10.2281 -10.2256 -10.2256 -9.7012 -9.7012 -9.6975 -9.6975 -9.4422 -9.4422 -9.4368 -9.4368 0.8983 0.8983 0.9073 0.9073 1.5437 1.5437 1.5549 1.5549 1.9686 1.9686 1.9884 1.9884 2.4854 2.4854 2.5005 2.5005 3.0106 3.0106 3.0198 3.0198 3.7924 3.7924 3.8068 3.8068 5.5215 5.5215 5.5323 5.5323 6.0598 6.0598 6.0610 6.0610 6.2451 6.2451 6.2475 6.2475 9.7842 9.7842 9.7899 9.7899 10.5557 10.5557 10.5836 10.5836 11.1219 11.1219 11.1402 11.1402 k = 0.5000 0.3128 0.2675 ( 4040 PWs) bands (ev): -54.7075 -54.7075 -54.7075 -54.7075 -30.6963 -30.6963 -30.6949 -30.6949 -28.3503 -28.3503 -28.3474 -28.3474 -28.1803 -28.1803 -28.1796 -28.1796 -10.2303 -10.2303 -10.2276 -10.2276 -9.7289 -9.7289 -9.7245 -9.7245 -9.4440 -9.4440 -9.4389 -9.4389 0.9028 0.9028 0.9116 0.9116 1.5859 1.5859 1.5983 1.5983 2.0329 2.0329 2.0530 2.0530 2.5061 2.5061 2.5206 2.5206 3.0300 3.0300 3.0366 3.0366 3.7866 3.7866 3.8007 3.8007 5.5288 5.5288 5.5401 5.5401 6.0363 6.0363 6.0376 6.0376 6.2081 6.2081 6.2110 6.2110 9.7703 9.7703 9.7759 9.7759 10.5240 10.5240 10.5540 10.5540 11.1056 11.1056 11.1242 11.1242 k = 0.5000 0.3012 0.2675 ( 4042 PWs) bands (ev): -54.7075 -54.7075 -54.7075 -54.7075 -30.6958 -30.6958 -30.6944 -30.6944 -28.3495 -28.3495 -28.3465 -28.3465 -28.1797 -28.1797 -28.1790 -28.1790 -10.2328 -10.2328 -10.2299 -10.2299 -9.7576 -9.7576 -9.7526 -9.7526 -9.4458 -9.4458 -9.4408 -9.4408 0.9077 0.9077 0.9162 0.9162 1.6280 1.6280 1.6413 1.6413 2.1029 2.1029 2.1226 2.1226 2.5268 2.5268 2.5405 2.5405 3.0524 3.0524 3.0559 3.0559 3.7820 3.7820 3.7959 3.7959 5.5359 5.5359 5.5476 5.5476 6.0101 6.0101 6.0117 6.0117 6.1695 6.1695 6.1729 6.1729 9.7561 9.7561 9.7616 9.7616 10.4909 10.4909 10.5230 10.5230 11.0899 11.0899 11.1084 11.1084 k = 0.5000 0.2897 0.2675 ( 4048 PWs) bands (ev): -54.7076 -54.7076 -54.7076 -54.7076 -30.6954 -30.6954 -30.6939 -30.6939 -28.3487 -28.3487 -28.3456 -28.3456 -28.1792 -28.1792 -28.1784 -28.1784 -10.2356 -10.2356 -10.2326 -10.2326 -9.7871 -9.7871 -9.7815 -9.7815 -9.4474 -9.4474 -9.4427 -9.4427 0.9127 0.9127 0.9209 0.9209 1.6702 1.6702 1.6841 1.6841 2.1775 2.1775 2.1963 2.1963 2.5472 2.5472 2.5600 2.5600 3.0780 3.0780 3.0781 3.0781 3.7790 3.7790 3.7925 3.7925 5.5425 5.5425 5.5546 5.5546 5.9808 5.9808 5.9827 5.9827 6.1299 6.1299 6.1339 6.1339 9.7418 9.7418 9.7471 9.7471 10.4569 10.4569 10.4909 10.4909 11.0746 11.0746 11.0931 11.0931 k = 0.5000 0.2781 0.2675 ( 4052 PWs) bands (ev): -54.7077 -54.7077 -54.7077 -54.7077 -30.6949 -30.6949 -30.6934 -30.6934 -28.3478 -28.3478 -28.3446 -28.3446 -28.1786 -28.1786 -28.1778 -28.1778 -10.2389 -10.2389 -10.2356 -10.2356 -9.8170 -9.8170 -9.8109 -9.8109 -9.4489 -9.4489 -9.4444 -9.4444 0.9178 0.9178 0.9257 0.9257 1.7126 1.7126 1.7270 1.7270 2.2556 2.2556 2.2731 2.2731 2.5673 2.5673 2.5791 2.5791 3.1032 3.1032 3.1070 3.1070 3.7778 3.7778 3.7909 3.7909 5.5485 5.5485 5.5609 5.5609 5.9478 5.9478 5.9501 5.9501 6.0899 6.0899 6.0948 6.0948 9.7273 9.7273 9.7323 9.7323 10.4222 10.4222 10.4579 10.4579 11.0600 11.0600 11.0783 11.0783 k = 0.5000 0.2665 0.2675 ( 4046 PWs) bands (ev): -54.7077 -54.7077 -54.7077 -54.7077 -30.6943 -30.6943 -30.6928 -30.6928 -28.3469 -28.3469 -28.3437 -28.3437 -28.1779 -28.1779 -28.1771 -28.1771 -10.2426 -10.2426 -10.2392 -10.2392 -9.8471 -9.8471 -9.8404 -9.8404 -9.4503 -9.4503 -9.4461 -9.4461 0.9229 0.9229 0.9306 0.9306 1.7554 1.7554 1.7702 1.7702 2.3360 2.3360 2.3515 2.3515 2.5871 2.5871 2.5976 2.5976 3.1315 3.1315 3.1396 3.1396 3.7790 3.7790 3.7916 3.7916 5.5539 5.5539 5.5665 5.5665 5.9108 5.9108 5.9136 5.9136 6.0503 6.0503 6.0562 6.0562 9.7128 9.7128 9.7176 9.7176 10.3872 10.3872 10.4246 10.4246 11.0460 11.0460 11.0641 11.0641 k = 0.5000 0.2549 0.2675 ( 4050 PWs) bands (ev): -54.7078 -54.7078 -54.7078 -54.7078 -30.6938 -30.6938 -30.6923 -30.6923 -28.3460 -28.3460 -28.3427 -28.3427 -28.1772 -28.1772 -28.1764 -28.1764 -10.2469 -10.2469 -10.2433 -10.2433 -9.8769 -9.8769 -9.8698 -9.8698 -9.4517 -9.4517 -9.4476 -9.4476 0.9280 0.9280 0.9353 0.9353 1.7989 1.7989 1.8139 1.8139 2.4170 2.4170 2.4302 2.4302 2.6067 2.6067 2.6159 2.6159 3.1627 3.1627 3.1755 3.1755 3.7830 3.7830 3.7951 3.7951 5.5584 5.5584 5.5711 5.5711 5.8696 5.8696 5.8727 5.8727 6.0119 6.0119 6.0188 6.0188 9.6985 9.6985 9.7029 9.7029 10.3523 10.3523 10.3912 10.3912 11.0328 11.0328 11.0506 11.0506 k = 0.5000 0.2433 0.2675 ( 4048 PWs) bands (ev): -54.7078 -54.7078 -54.7078 -54.7078 -30.6933 -30.6933 -30.6917 -30.6917 -28.3451 -28.3451 -28.3418 -28.3418 -28.1765 -28.1765 -28.1757 -28.1757 -10.2518 -10.2518 -10.2480 -10.2480 -9.9062 -9.9062 -9.8987 -9.8987 -9.4529 -9.4529 -9.4491 -9.4491 0.9329 0.9329 0.9400 0.9400 1.8431 1.8431 1.8583 1.8583 2.4965 2.4965 2.5072 2.5072 2.6268 2.6268 2.6346 2.6346 3.1966 3.1966 3.2145 3.2145 3.7907 3.7907 3.8023 3.8023 5.5617 5.5617 5.5745 5.5745 5.8242 5.8242 5.8274 5.8274 5.9750 5.9750 5.9828 5.9828 9.6843 9.6843 9.6883 9.6883 10.3178 10.3178 10.3580 10.3580 11.0203 11.0203 11.0377 11.0377 k = 0.5000 0.2317 0.2675 ( 4050 PWs) bands (ev): -54.7079 -54.7079 -54.7079 -54.7079 -30.6927 -30.6927 -30.6912 -30.6912 -28.3442 -28.3442 -28.3409 -28.3409 -28.1758 -28.1758 -28.1750 -28.1750 -10.2574 -10.2574 -10.2535 -10.2535 -9.9347 -9.9347 -9.9269 -9.9269 -9.4541 -9.4541 -9.4505 -9.4505 0.9377 0.9377 0.9445 0.9445 1.8882 1.8882 1.9034 1.9034 2.5699 2.5699 2.5784 2.5784 2.6510 2.6510 2.6568 2.6568 3.2328 3.2328 3.2557 3.2557 3.8030 3.8030 3.8142 3.8142 5.5637 5.5637 5.5762 5.5762 5.7751 5.7751 5.7782 5.7782 5.9397 5.9397 5.9485 5.9485 9.6703 9.6703 9.6740 9.6740 10.2841 10.2841 10.3255 10.3255 11.0086 11.0086 11.0255 11.0255 k = 0.5000 0.2201 0.2675 ( 4054 PWs) bands (ev): -54.7080 -54.7080 -54.7080 -54.7080 -30.6922 -30.6922 -30.6907 -30.6907 -28.3433 -28.3433 -28.3400 -28.3400 -28.1751 -28.1751 -28.1743 -28.1743 -10.2638 -10.2638 -10.2598 -10.2598 -9.9620 -9.9620 -9.9539 -9.9539 -9.4553 -9.4553 -9.4519 -9.4519 0.9424 0.9424 0.9488 0.9488 1.9340 1.9340 1.9493 1.9493 2.6238 2.6238 2.6308 2.6308 2.6915 2.6915 2.6944 2.6944 3.2701 3.2701 3.2978 3.2978 3.8212 3.8212 3.8322 3.8322 5.5638 5.5638 5.5757 5.5757 5.7230 5.7230 5.7258 5.7258 5.9061 5.9061 5.9158 5.9158 9.6567 9.6567 9.6599 9.6599 10.2515 10.2515 10.2941 10.2941 10.9976 10.9976 11.0140 11.0140 k = 0.5000 0.2086 0.2675 ( 4054 PWs) bands (ev): -54.7080 -54.7080 -54.7080 -54.7080 -30.6917 -30.6917 -30.6901 -30.6901 -28.3424 -28.3424 -28.3391 -28.3391 -28.1744 -28.1744 -28.1736 -28.1736 -10.2712 -10.2712 -10.2672 -10.2672 -9.9877 -9.9877 -9.9796 -9.9796 -9.4564 -9.4564 -9.4532 -9.4532 0.9468 0.9468 0.9528 0.9528 1.9805 1.9805 1.9959 1.9959 2.6520 2.6520 2.6576 2.6576 2.7536 2.7536 2.7536 2.7536 3.3072 3.3072 3.3392 3.3392 3.8467 3.8467 3.8578 3.8578 5.5616 5.5616 5.5722 5.5722 5.6692 5.6692 5.6709 5.6709 5.8741 5.8741 5.8849 5.8849 9.6433 9.6433 9.6462 9.6462 10.2205 10.2205 10.2640 10.2640 10.9874 10.9874 11.0033 11.0033 k = 0.5000 0.1970 0.2675 ( 4054 PWs) bands (ev): -54.7081 -54.7081 -54.7081 -54.7081 -30.6911 -30.6911 -30.6896 -30.6896 -28.3415 -28.3415 -28.3383 -28.3383 -28.1736 -28.1736 -28.1729 -28.1729 -10.2797 -10.2797 -10.2757 -10.2757 -10.0117 -10.0117 -10.0035 -10.0035 -9.4574 -9.4574 -9.4545 -9.4545 0.9510 0.9510 0.9567 0.9567 2.0277 2.0277 2.0431 2.0431 2.6702 2.6702 2.6746 2.6746 2.8184 2.8184 2.8209 2.8209 3.3426 3.3426 3.3778 3.3778 3.8809 3.8809 3.8927 3.8927 5.5559 5.5559 5.5630 5.5630 5.6150 5.6150 5.6162 5.6162 5.8439 5.8439 5.8558 5.8558 9.6303 9.6303 9.6328 9.6328 10.1913 10.1913 10.2356 10.2356 10.9779 10.9779 10.9932 10.9932 k = 0.5000 0.1854 0.2675 ( 4060 PWs) bands (ev): -54.7082 -54.7082 -54.7082 -54.7082 -30.6906 -30.6906 -30.6891 -30.6891 -28.3406 -28.3406 -28.3375 -28.3375 -28.1729 -28.1729 -28.1722 -28.1722 -10.2893 -10.2893 -10.2854 -10.2854 -10.0335 -10.0335 -10.0255 -10.0255 -9.4584 -9.4584 -9.4557 -9.4557 0.9549 0.9549 0.9603 0.9603 2.0752 2.0752 2.0906 2.0906 2.6854 2.6854 2.6886 2.6886 2.8817 2.8817 2.8865 2.8865 3.3747 3.3747 3.4119 3.4119 3.9248 3.9248 3.9379 3.9379 5.5361 5.5361 5.5397 5.5397 5.5652 5.5652 5.5765 5.5765 5.8158 5.8158 5.8291 5.8291 9.6176 9.6176 9.6198 9.6198 10.1643 10.1643 10.2093 10.2093 10.9692 10.9692 10.9838 10.9838 k = 0.5000 0.1738 0.2675 ( 4060 PWs) bands (ev): -54.7082 -54.7082 -54.7082 -54.7082 -30.6900 -30.6900 -30.6886 -30.6886 -28.3397 -28.3397 -28.3367 -28.3367 -28.1722 -28.1722 -28.1715 -28.1715 -10.3000 -10.3000 -10.2963 -10.2963 -10.0531 -10.0531 -10.0453 -10.0453 -9.4594 -9.4594 -9.4568 -9.4568 0.9586 0.9586 0.9636 0.9636 2.1230 2.1230 2.1383 2.1383 2.6992 2.6992 2.7013 2.7013 2.9418 2.9418 2.9483 2.9483 3.4024 3.4024 3.4404 3.4404 3.9784 3.9784 3.9934 3.9934 5.4853 5.4853 5.4912 5.4912 5.5435 5.5435 5.5562 5.5562 5.7902 5.7902 5.8050 5.8050 9.6053 9.6053 9.6071 9.6071 10.1398 10.1398 10.1852 10.1852 10.9611 10.9611 10.9750 10.9750 k = 0.5000 0.1622 0.2675 ( 4052 PWs) bands (ev): -54.7082 -54.7082 -54.7082 -54.7082 -30.6895 -30.6895 -30.6881 -30.6881 -28.3388 -28.3388 -28.3359 -28.3359 -28.1714 -28.1714 -28.1708 -28.1708 -10.3118 -10.3118 -10.3084 -10.3084 -10.0702 -10.0702 -10.0629 -10.0629 -9.4602 -9.4602 -9.4579 -9.4579 0.9620 0.9620 0.9667 0.9667 2.1705 2.1705 2.1857 2.1857 2.7123 2.7123 2.7135 2.7135 2.9983 2.9983 3.0061 3.0061 3.4254 3.4254 3.4631 3.4631 4.0410 4.0410 4.0582 4.0582 5.4286 5.4286 5.4337 5.4337 5.5268 5.5268 5.5376 5.5376 5.7673 5.7673 5.7837 5.7837 9.5933 9.5933 9.5947 9.5947 10.1181 10.1181 10.1636 10.1636 10.9538 10.9538 10.9669 10.9669 k = 0.5000 0.1506 0.2675 ( 4046 PWs) bands (ev): -54.7082 -54.7082 -54.7082 -54.7082 -30.6890 -30.6890 -30.6877 -30.6877 -28.3380 -28.3380 -28.3352 -28.3352 -28.1707 -28.1707 -28.1701 -28.1701 -10.3244 -10.3244 -10.3215 -10.3215 -10.0851 -10.0851 -10.0783 -10.0783 -9.4611 -9.4611 -9.4589 -9.4589 0.9652 0.9652 0.9695 0.9695 2.2175 2.2175 2.2324 2.2324 2.7252 2.7252 2.7254 2.7254 3.0511 3.0511 3.0595 3.0595 3.4441 3.4441 3.4808 3.4808 4.1111 4.1111 4.1304 4.1304 5.3713 5.3713 5.3758 5.3758 5.5072 5.5072 5.5163 5.5163 5.7472 5.7472 5.7652 5.7652 9.5816 9.5816 9.5828 9.5828 10.0994 10.0994 10.1448 10.1448 10.9470 10.9470 10.9595 10.9595 k = 0.5000 0.1390 0.2675 ( 4048 PWs) bands (ev): -54.7082 -54.7082 -54.7082 -54.7082 -30.6885 -30.6885 -30.6873 -30.6873 -28.3372 -28.3372 -28.3346 -28.3346 -28.1700 -28.1700 -28.1695 -28.1695 -10.3378 -10.3378 -10.3352 -10.3352 -10.0977 -10.0977 -10.0915 -10.0915 -9.4618 -9.4618 -9.4598 -9.4598 0.9681 0.9681 0.9721 0.9721 2.2635 2.2635 2.2780 2.2780 2.7375 2.7375 2.7383 2.7383 3.1001 3.1001 3.1086 3.1086 3.4593 3.4593 3.4944 3.4944 4.1865 4.1865 4.2076 4.2076 5.3151 5.3151 5.3190 5.3190 5.4843 5.4843 5.4919 5.4919 5.7296 5.7296 5.7490 5.7490 9.5702 9.5702 9.5711 9.5711 10.0838 10.0838 10.1288 10.1288 10.9410 10.9410 10.9526 10.9526 k = 0.5000 0.1275 0.2675 ( 4048 PWs) bands (ev): -54.7083 -54.7083 -54.7083 -54.7083 -30.6880 -30.6880 -30.6869 -30.6869 -28.3365 -28.3365 -28.3340 -28.3340 -28.1694 -28.1694 -28.1689 -28.1689 -10.3515 -10.3515 -10.3494 -10.3494 -10.1083 -10.1083 -10.1027 -10.1027 -9.4626 -9.4626 -9.4607 -9.4607 0.9708 0.9708 0.9744 0.9744 2.3079 2.3079 2.3219 2.3219 2.7500 2.7500 2.7518 2.7518 3.1452 3.1452 3.1533 3.1533 3.4719 3.4719 3.5049 3.5049 4.2650 4.2650 4.2874 4.2874 5.2608 5.2608 5.2644 5.2644 5.4585 5.4585 5.4649 5.4649 5.7141 5.7141 5.7344 5.7344 9.5592 9.5592 9.5599 9.5599 10.0715 10.0715 10.1156 10.1156 10.9355 10.9355 10.9463 10.9463 k = 0.5000 0.1159 0.2675 ( 4050 PWs) bands (ev): -54.7083 -54.7083 -54.7083 -54.7083 -30.6876 -30.6876 -30.6865 -30.6865 -28.3358 -28.3358 -28.3335 -28.3335 -28.1688 -28.1688 -28.1683 -28.1683 -10.3653 -10.3653 -10.3635 -10.3635 -10.1171 -10.1171 -10.1121 -10.1121 -9.4632 -9.4632 -9.4615 -9.4615 0.9732 0.9732 0.9765 0.9765 2.3502 2.3502 2.3634 2.3634 2.7633 2.7633 2.7661 2.7661 3.1864 3.1864 3.1933 3.1933 3.4827 3.4827 3.5133 3.5133 4.3442 4.3442 4.3676 4.3676 5.2096 5.2096 5.2128 5.2128 5.4309 5.4309 5.4362 5.4362 5.6999 5.6999 5.7210 5.7210 9.5487 9.5487 9.5491 9.5491 10.0623 10.0623 10.1053 10.1053 10.9306 10.9306 10.9406 10.9406 k = 0.5000 0.1043 0.2675 ( 4042 PWs) bands (ev): -54.7083 -54.7083 -54.7083 -54.7083 -30.6872 -30.6872 -30.6862 -30.6862 -28.3351 -28.3351 -28.3330 -28.3330 -28.1682 -28.1682 -28.1677 -28.1677 -10.3787 -10.3787 -10.3774 -10.3774 -10.1244 -10.1244 -10.1200 -10.1200 -9.4638 -9.4638 -9.4623 -9.4623 0.9754 0.9754 0.9784 0.9784 2.3896 2.3896 2.4019 2.4019 2.7775 2.7775 2.7813 2.7813 3.2232 3.2232 3.2286 3.2286 3.4926 3.4926 3.5202 3.5202 4.4220 4.4220 4.4457 4.4457 5.1624 5.1624 5.1653 5.1653 5.4023 5.4023 5.4067 5.4067 5.6864 5.6864 5.7079 5.7079 9.5386 9.5386 9.5389 9.5389 10.0563 10.0563 10.0975 10.0975 10.9263 10.9263 10.9354 10.9354 k = 0.5000 0.0927 0.2675 ( 4040 PWs) bands (ev): -54.7083 -54.7083 -54.7083 -54.7083 -30.6868 -30.6868 -30.6859 -30.6859 -28.3345 -28.3345 -28.3326 -28.3326 -28.1676 -28.1676 -28.1672 -28.1672 -10.3915 -10.3915 -10.3905 -10.3905 -10.1303 -10.1303 -10.1265 -10.1265 -9.4643 -9.4643 -9.4630 -9.4630 0.9773 0.9773 0.9800 0.9800 2.4255 2.4255 2.4366 2.4366 2.7929 2.7929 2.7977 2.7977 3.2555 3.2555 3.2587 3.2587 3.5022 3.5022 3.5264 3.5264 4.4959 4.4959 4.5193 4.5193 5.1206 5.1206 5.1233 5.1233 5.3736 5.3736 5.3772 5.3772 5.6732 5.6732 5.6947 5.6947 9.5291 9.5291 9.5292 9.5292 10.0532 10.0532 10.0922 10.0922 10.9225 10.9225 10.9307 10.9307 k = 0.5000 0.0811 0.2675 ( 4040 PWs) bands (ev): -54.7083 -54.7083 -54.7083 -54.7083 -30.6864 -30.6864 -30.6856 -30.6856 -28.3339 -28.3339 -28.3322 -28.3322 -28.1671 -28.1671 -28.1668 -28.1668 -10.4035 -10.4035 -10.4027 -10.4027 -10.1352 -10.1352 -10.1319 -10.1319 -9.4648 -9.4648 -9.4636 -9.4636 0.9791 0.9791 0.9814 0.9814 2.4574 2.4574 2.4671 2.4671 2.8094 2.8094 2.8151 2.8151 3.2829 3.2829 3.2837 3.2837 3.5119 3.5119 3.5322 3.5322 4.5635 4.5635 4.5859 4.5859 5.0857 5.0857 5.0884 5.0884 5.3459 5.3459 5.3486 5.3486 5.6599 5.6599 5.6811 5.6811 9.5203 9.5203 9.5203 9.5203 10.0527 10.0527 10.0888 10.0888 10.9193 10.9193 10.9266 10.9266 k = 0.5000 0.0695 0.2675 ( 4044 PWs) bands (ev): -54.7084 -54.7084 -54.7084 -54.7084 -30.6861 -30.6861 -30.6854 -30.6854 -28.3334 -28.3334 -28.3320 -28.3320 -28.1667 -28.1667 -28.1664 -28.1664 -10.4143 -10.4143 -10.4137 -10.4137 -10.1390 -10.1390 -10.1364 -10.1364 -9.4652 -9.4652 -9.4642 -9.4642 0.9806 0.9806 0.9825 0.9825 2.4848 2.4848 2.4931 2.4931 2.8267 2.8267 2.8331 2.8331 3.3036 3.3036 3.3052 3.3052 3.5217 3.5217 3.5380 3.5380 4.6220 4.6220 4.6425 4.6425 5.0596 5.0596 5.0626 5.0626 5.3198 5.3198 5.3218 5.3218 5.6467 5.6467 5.6671 5.6671 9.5122 9.5122 9.5124 9.5124 10.0543 10.0543 10.0871 10.0871 10.9166 10.9166 10.9229 10.9229 k = 0.5000 0.0579 0.2675 ( 4046 PWs) bands (ev): -54.7084 -54.7084 -54.7084 -54.7084 -30.6858 -30.6858 -30.6852 -30.6852 -28.3330 -28.3330 -28.3317 -28.3317 -28.1663 -28.1663 -28.1661 -28.1661 -10.4238 -10.4238 -10.4234 -10.4234 -10.1421 -10.1421 -10.1399 -10.1399 -9.4655 -9.4655 -9.4647 -9.4647 0.9818 0.9818 0.9835 0.9835 2.5076 2.5076 2.5143 2.5143 2.8443 2.8443 2.8510 2.8510 3.3189 3.3189 3.3225 3.3225 3.5314 3.5314 3.5437 3.5437 4.6688 4.6688 4.6864 4.6864 5.0441 5.0441 5.0478 5.0478 5.2963 5.2963 5.2975 5.2975 5.6337 5.6337 5.6526 5.6526 9.5052 9.5052 9.5053 9.5053 10.0577 10.0577 10.0863 10.0863 10.9145 10.9145 10.9198 10.9198 k = 0.5000 0.0463 0.2675 ( 4046 PWs) bands (ev): -54.7084 -54.7084 -54.7084 -54.7084 -30.6856 -30.6856 -30.6851 -30.6851 -28.3326 -28.3326 -28.3316 -28.3316 -28.1660 -28.1660 -28.1658 -28.1658 -10.4317 -10.4317 -10.4314 -10.4314 -10.1445 -10.1445 -10.1427 -10.1427 -9.4657 -9.4657 -9.4651 -9.4651 0.9829 0.9829 0.9842 0.9842 2.5257 2.5257 2.5310 2.5310 2.8613 2.8613 2.8677 2.8677 3.3301 3.3301 3.3349 3.3349 3.5405 3.5405 3.5493 3.5493 4.7021 4.7021 4.7160 4.7160 5.0398 5.0398 5.0442 5.0442 5.2759 5.2759 5.2764 5.2764 5.6214 5.6214 5.6382 5.6382 9.4992 9.4992 9.4994 9.4994 10.0623 10.0623 10.0861 10.0861 10.9128 10.9128 10.9171 10.9171 k = 0.5000 0.0348 0.2675 ( 4056 PWs) bands (ev): -54.7085 -54.7085 -54.7085 -54.7085 -30.6854 -30.6854 -30.6851 -30.6851 -28.3323 -28.3323 -28.3315 -28.3315 -28.1658 -28.1658 -28.1656 -28.1656 -10.4380 -10.4380 -10.4379 -10.4379 -10.1462 -10.1462 -10.1449 -10.1449 -9.4659 -9.4659 -9.4654 -9.4654 0.9838 0.9838 0.9848 0.9848 2.5396 2.5396 2.5434 2.5434 2.8765 2.8765 2.8821 2.8821 3.3381 3.3381 3.3431 3.3431 3.5484 3.5484 3.5542 3.5542 4.7226 4.7226 4.7325 4.7325 5.0449 5.0449 5.0494 5.0494 5.2593 5.2593 5.2594 5.2594 5.6107 5.6107 5.6246 5.6246 9.4944 9.4944 9.4946 9.4946 10.0673 10.0673 10.0859 10.0859 10.9116 10.9116 10.9149 10.9149 k = 0.5000 0.0232 0.2675 ( 4052 PWs) bands (ev): -54.7085 -54.7085 -54.7085 -54.7085 -30.6852 -30.6852 -30.6850 -30.6850 -28.3320 -28.3320 -28.3315 -28.3315 -28.1656 -28.1656 -28.1655 -28.1655 -10.4426 -10.4426 -10.4425 -10.4425 -10.1473 -10.1473 -10.1465 -10.1465 -9.4660 -9.4660 -9.4657 -9.4657 0.9845 0.9845 0.9851 0.9851 2.5493 2.5493 2.5518 2.5518 2.8889 2.8889 2.8931 2.8931 3.3436 3.3436 3.3477 3.3477 3.5546 3.5546 3.5581 3.5581 4.7335 4.7335 4.7397 4.7397 5.0546 5.0546 5.0584 5.0584 5.2467 5.2467 5.2471 5.2471 5.6027 5.6027 5.6127 5.6127 9.4910 9.4910 9.4911 9.4911 10.0724 10.0724 10.0851 10.0851 10.9109 10.9109 10.9131 10.9131 k = 0.5000 0.0116 0.2675 ( 4048 PWs) bands (ev): -54.7085 -54.7085 -54.7085 -54.7085 -30.6851 -30.6851 -30.6850 -30.6850 -28.3317 -28.3317 -28.3315 -28.3315 -28.1654 -28.1654 -28.1654 -28.1654 -10.4454 -10.4454 -10.4453 -10.4453 -10.1479 -10.1479 -10.1475 -10.1475 -9.4660 -9.4660 -9.4659 -9.4659 0.9849 0.9849 0.9853 0.9853 2.5553 2.5553 2.5565 2.5565 2.8973 2.8973 2.8995 2.8995 3.3473 3.3473 3.3496 3.3496 3.5588 3.5588 3.5604 3.5604 4.7387 4.7387 4.7417 4.7417 5.0635 5.0635 5.0657 5.0657 5.2392 5.2392 5.2395 5.2395 5.5985 5.5985 5.6037 5.6037 9.4889 9.4889 9.4890 9.4890 10.0770 10.0770 10.0835 10.0835 10.9108 10.9108 10.9119 10.9119 k = 0.5000-0.0000 0.2675 ( 4040 PWs) bands (ev): -54.7084 -54.7084 -54.7084 -54.7084 -30.6850 -30.6850 -30.6850 -30.6850 -28.3316 -28.3316 -28.3316 -28.3316 -28.1654 -28.1654 -28.1654 -28.1654 -10.4463 -10.4463 -10.4463 -10.4463 -10.1479 -10.1479 -10.1479 -10.1479 -9.4660 -9.4660 -9.4660 -9.4660 0.9852 0.9852 0.9852 0.9852 2.5576 2.5576 2.5576 2.5576 2.9010 2.9010 2.9010 2.9010 3.3493 3.3493 3.3493 3.3493 3.5607 3.5607 3.5607 3.5607 4.7411 4.7411 4.7411 4.7411 5.0678 5.0678 5.0678 5.0678 5.2368 5.2368 5.2368 5.2368 5.5988 5.5988 5.5988 5.5988 9.4883 9.4883 9.4883 9.4883 10.0808 10.0808 10.0808 10.0808 10.9111 10.9111 10.9111 10.9111 k = 0.5000-0.0000 0.2675 ( 4040 PWs) bands (ev): -54.7084 -54.7084 -54.7084 -54.7084 -30.6850 -30.6850 -30.6850 -30.6850 -28.3316 -28.3316 -28.3316 -28.3316 -28.1654 -28.1654 -28.1654 -28.1654 -10.4463 -10.4463 -10.4463 -10.4463 -10.1479 -10.1479 -10.1479 -10.1479 -9.4660 -9.4660 -9.4660 -9.4660 0.9852 0.9852 0.9852 0.9852 2.5576 2.5576 2.5576 2.5576 2.9010 2.9010 2.9010 2.9010 3.3493 3.3493 3.3493 3.3493 3.5607 3.5607 3.5607 3.5607 4.7411 4.7411 4.7411 4.7411 5.0678 5.0678 5.0678 5.0678 5.2368 5.2368 5.2368 5.2368 5.5988 5.5988 5.5988 5.5988 9.4883 9.4883 9.4883 9.4883 10.0808 10.0808 10.0808 10.0808 10.9111 10.9111 10.9111 10.9111 k = 0.5000-0.0000 0.2559 ( 4044 PWs) bands (ev): -54.7084 -54.7084 -54.7084 -54.7084 -30.6850 -30.6850 -30.6850 -30.6850 -28.3316 -28.3316 -28.3316 -28.3316 -28.1654 -28.1654 -28.1654 -28.1654 -10.4463 -10.4463 -10.4463 -10.4463 -10.1481 -10.1481 -10.1479 -10.1479 -9.4659 -9.4659 -9.4659 -9.4659 0.9852 0.9852 0.9853 0.9853 2.5508 2.5508 2.5529 2.5529 2.9032 2.9032 2.9077 2.9077 3.3508 3.3508 3.3513 3.3513 3.5599 3.5599 3.5621 3.5621 4.7404 4.7404 4.7412 4.7412 5.0675 5.0675 5.0680 5.0680 5.2373 5.2373 5.2378 5.2378 5.5974 5.5974 5.5979 5.5979 9.4881 9.4881 9.4883 9.4883 10.0804 10.0804 10.0807 10.0807 10.9112 10.9112 10.9115 10.9115 k = 0.5000-0.0000 0.2442 ( 4048 PWs) bands (ev): -54.7085 -54.7085 -54.7085 -54.7085 -30.6850 -30.6850 -30.6850 -30.6850 -28.3316 -28.3316 -28.3316 -28.3316 -28.1654 -28.1654 -28.1654 -28.1654 -10.4464 -10.4464 -10.4463 -10.4463 -10.1483 -10.1483 -10.1480 -10.1480 -9.4657 -9.4657 -9.4655 -9.4655 0.9854 0.9854 0.9856 0.9856 2.5336 2.5336 2.5375 2.5375 2.9135 2.9135 2.9218 2.9218 3.3558 3.3558 3.3566 3.3566 3.5597 3.5597 3.5644 3.5644 4.7393 4.7393 4.7410 4.7410 5.0672 5.0672 5.0681 5.0681 5.2394 5.2394 5.2404 5.2404 5.5936 5.5936 5.5946 5.5946 9.4879 9.4879 9.4881 9.4881 10.0794 10.0794 10.0800 10.0800 10.9121 10.9121 10.9126 10.9126 k = 0.5000-0.0000 0.2326 ( 4056 PWs) bands (ev): -54.7086 -54.7086 -54.7086 -54.7086 -30.6850 -30.6850 -30.6850 -30.6850 -28.3316 -28.3316 -28.3316 -28.3316 -28.1654 -28.1654 -28.1654 -28.1654 -10.4466 -10.4466 -10.4464 -10.4464 -10.1486 -10.1486 -10.1482 -10.1482 -9.4652 -9.4652 -9.4650 -9.4650 0.9858 0.9858 0.9861 0.9861 2.5088 2.5088 2.5137 2.5137 2.9294 2.9294 2.9407 2.9407 3.3645 3.3645 3.3653 3.3653 3.5604 3.5604 3.5677 3.5677 4.7378 4.7378 4.7403 4.7403 5.0669 5.0669 5.0681 5.0681 5.2430 5.2430 5.2444 5.2444 5.5876 5.5876 5.5891 5.5891 9.4875 9.4875 9.4879 9.4879 10.0780 10.0780 10.0788 10.0788 10.9135 10.9135 10.9144 10.9144 k = 0.5000-0.0000 0.2210 ( 4048 PWs) bands (ev): -54.7085 -54.7085 -54.7085 -54.7085 -30.6850 -30.6850 -30.6850 -30.6850 -28.3316 -28.3316 -28.3315 -28.3315 -28.1654 -28.1654 -28.1654 -28.1654 -10.4468 -10.4468 -10.4465 -10.4465 -10.1490 -10.1490 -10.1485 -10.1485 -9.4646 -9.4646 -9.4642 -9.4642 0.9864 0.9864 0.9867 0.9867 2.4788 2.4788 2.4842 2.4842 2.9481 2.9481 2.9615 2.9615 3.3769 3.3769 3.3770 3.3770 3.5622 3.5622 3.5723 3.5723 4.7358 4.7358 4.7391 4.7391 5.0666 5.0666 5.0681 5.0681 5.2480 5.2480 5.2498 5.2498 5.5795 5.5795 5.5814 5.5814 9.4870 9.4870 9.4875 9.4875 10.0761 10.0761 10.0772 10.0772 10.9155 10.9155 10.9166 10.9166 k = 0.5000-0.0000 0.2093 ( 4040 PWs) bands (ev): -54.7084 -54.7084 -54.7084 -54.7084 -30.6850 -30.6850 -30.6850 -30.6850 -28.3315 -28.3315 -28.3315 -28.3315 -28.1654 -28.1654 -28.1654 -28.1654 -10.4470 -10.4470 -10.4466 -10.4466 -10.1495 -10.1495 -10.1488 -10.1488 -9.4637 -9.4637 -9.4634 -9.4634 0.9871 0.9871 0.9875 0.9875 2.4456 2.4456 2.4512 2.4512 2.9673 2.9673 2.9820 2.9820 3.3911 3.3911 3.3928 3.3928 3.5655 3.5655 3.5789 3.5789 4.7335 4.7335 4.7375 4.7375 5.0663 5.0663 5.0681 5.0681 5.2543 5.2543 5.2563 5.2563 5.5692 5.5692 5.5716 5.5716 9.4863 9.4863 9.4870 9.4870 10.0737 10.0737 10.0751 10.0751 10.9181 10.9181 10.9194 10.9194 k = 0.5000-0.0000 0.1977 ( 4036 PWs) bands (ev): -54.7084 -54.7084 -54.7084 -54.7084 -30.6850 -30.6850 -30.6850 -30.6850 -28.3315 -28.3315 -28.3315 -28.3315 -28.1654 -28.1654 -28.1654 -28.1654 -10.4472 -10.4472 -10.4468 -10.4468 -10.1501 -10.1501 -10.1493 -10.1493 -9.4627 -9.4627 -9.4623 -9.4623 0.9879 0.9879 0.9885 0.9885 2.4108 2.4108 2.4162 2.4162 2.9855 2.9855 3.0007 3.0007 3.4071 3.4071 3.4111 3.4111 3.5711 3.5711 3.5883 3.5883 4.7307 4.7307 4.7355 4.7355 5.0659 5.0659 5.0679 5.0679 5.2616 5.2616 5.2639 5.2639 5.5571 5.5571 5.5599 5.5599 9.4856 9.4856 9.4863 9.4863 10.0711 10.0711 10.0726 10.0726 10.9211 10.9211 10.9227 10.9227 k = 0.5000-0.0000 0.1861 ( 4038 PWs) bands (ev): -54.7084 -54.7084 -54.7084 -54.7084 -30.6850 -30.6850 -30.6850 -30.6850 -28.3315 -28.3315 -28.3315 -28.3315 -28.1654 -28.1654 -28.1654 -28.1654 -10.4475 -10.4475 -10.4470 -10.4470 -10.1507 -10.1507 -10.1498 -10.1498 -9.4616 -9.4616 -9.4611 -9.4611 0.9889 0.9889 0.9895 0.9895 2.3753 2.3753 2.3805 2.3805 3.0016 3.0016 3.0169 3.0169 3.4234 3.4234 3.4305 3.4305 3.5805 3.5805 3.6015 3.6015 4.7275 4.7275 4.7331 4.7331 5.0656 5.0656 5.0677 5.0677 5.2698 5.2698 5.2722 5.2722 5.5432 5.5432 5.5464 5.5464 9.4847 9.4847 9.4855 9.4855 10.0681 10.0681 10.0698 10.0698 10.9246 10.9246 10.9263 10.9263 k = 0.5000-0.0000 0.1745 ( 4040 PWs) bands (ev): -54.7084 -54.7084 -54.7084 -54.7084 -30.6850 -30.6850 -30.6850 -30.6850 -28.3315 -28.3315 -28.3315 -28.3315 -28.1655 -28.1655 -28.1654 -28.1654 -10.4478 -10.4478 -10.4473 -10.4473 -10.1514 -10.1514 -10.1504 -10.1504 -9.4604 -9.4604 -9.4598 -9.4598 0.9901 0.9901 0.9907 0.9907 2.3399 2.3399 2.3448 2.3448 3.0153 3.0153 3.0302 3.0302 3.4388 3.4388 3.4488 3.4488 3.5952 3.5952 3.6195 3.6195 4.7239 4.7239 4.7303 4.7303 5.0652 5.0652 5.0674 5.0674 5.2786 5.2786 5.2812 5.2812 5.5279 5.5279 5.5315 5.5315 9.4837 9.4837 9.4846 9.4846 10.0650 10.0650 10.0668 10.0668 10.9284 10.9284 10.9302 10.9302 k = 0.5000-0.0000 0.1628 ( 4046 PWs) bands (ev): -54.7085 -54.7085 -54.7085 -54.7085 -30.6850 -30.6850 -30.6850 -30.6850 -28.3315 -28.3315 -28.3315 -28.3315 -28.1655 -28.1655 -28.1655 -28.1655 -10.4481 -10.4481 -10.4476 -10.4476 -10.1521 -10.1521 -10.1511 -10.1511 -9.4590 -9.4590 -9.4585 -9.4585 0.9913 0.9913 0.9920 0.9920 2.3052 2.3052 2.3098 2.3098 3.0266 3.0266 3.0407 3.0407 3.4519 3.4519 3.4639 3.4639 3.6166 3.6166 3.6430 3.6430 4.7198 4.7198 4.7270 4.7270 5.0648 5.0648 5.0671 5.0671 5.2878 5.2878 5.2905 5.2905 5.5114 5.5114 5.5153 5.5153 9.4826 9.4826 9.4836 9.4836 10.0617 10.0617 10.0636 10.0636 10.9324 10.9324 10.9344 10.9344 k = 0.5000-0.0000 0.1512 ( 4046 PWs) bands (ev): -54.7085 -54.7085 -54.7085 -54.7085 -30.6850 -30.6850 -30.6850 -30.6850 -28.3315 -28.3315 -28.3314 -28.3314 -28.1655 -28.1655 -28.1655 -28.1655 -10.4484 -10.4484 -10.4479 -10.4479 -10.1528 -10.1528 -10.1518 -10.1518 -9.4576 -9.4576 -9.4570 -9.4570 0.9926 0.9926 0.9934 0.9934 2.2716 2.2716 2.2758 2.2758 3.0356 3.0356 3.0487 3.0487 3.4622 3.4622 3.4748 3.4748 3.6450 3.6450 3.6718 3.6718 4.7153 4.7153 4.7232 4.7232 5.0643 5.0643 5.0667 5.0667 5.2971 5.2971 5.2998 5.2998 5.4941 5.4941 5.4982 5.4982 9.4814 9.4814 9.4824 9.4824 10.0584 10.0584 10.0603 10.0603 10.9366 10.9366 10.9386 10.9386 k = 0.5000-0.0000 0.1396 ( 4046 PWs) bands (ev): -54.7085 -54.7085 -54.7085 -54.7085 -30.6850 -30.6850 -30.6850 -30.6850 -28.3315 -28.3315 -28.3314 -28.3314 -28.1656 -28.1656 -28.1655 -28.1655 -10.4488 -10.4488 -10.4482 -10.4482 -10.1535 -10.1535 -10.1525 -10.1525 -9.4562 -9.4562 -9.4556 -9.4556 0.9940 0.9940 0.9948 0.9948 2.2394 2.2394 2.2433 2.2433 3.0426 3.0426 3.0547 3.0547 3.4698 3.4698 3.4819 3.4819 3.6792 3.6792 3.7052 3.7052 4.7103 4.7103 4.7189 4.7189 5.0637 5.0637 5.0662 5.0662 5.3063 5.3063 5.3089 5.3089 5.4764 5.4764 5.4808 5.4808 9.4801 9.4801 9.4812 9.4812 10.0550 10.0550 10.0570 10.0570 10.9409 10.9409 10.9429 10.9429 k = 0.5000-0.0000 0.1279 ( 4044 PWs) bands (ev): -54.7084 -54.7084 -54.7084 -54.7084 -30.6850 -30.6850 -30.6850 -30.6850 -28.3314 -28.3314 -28.3314 -28.3314 -28.1656 -28.1656 -28.1655 -28.1655 -10.4491 -10.4491 -10.4485 -10.4485 -10.1543 -10.1543 -10.1532 -10.1532 -9.4547 -9.4547 -9.4541 -9.4541 0.9955 0.9955 0.9962 0.9962 2.2089 2.2089 2.2125 2.2125 3.0480 3.0480 3.0590 3.0590 3.4751 3.4751 3.4862 3.4862 3.7173 3.7173 3.7418 3.7418 4.7048 4.7048 4.7140 4.7140 5.0631 5.0631 5.0656 5.0656 5.3147 5.3147 5.3173 5.3173 5.4589 5.4589 5.4634 5.4634 9.4788 9.4788 9.4799 9.4799 10.0518 10.0518 10.0537 10.0537 10.9452 10.9452 10.9472 10.9472 k = 0.5000-0.0000 0.1163 ( 4042 PWs) bands (ev): -54.7084 -54.7084 -54.7084 -54.7084 -30.6850 -30.6850 -30.6850 -30.6850 -28.3314 -28.3314 -28.3314 -28.3314 -28.1656 -28.1656 -28.1655 -28.1655 -10.4494 -10.4494 -10.4489 -10.4489 -10.1550 -10.1550 -10.1539 -10.1539 -9.4532 -9.4532 -9.4527 -9.4527 0.9970 0.9970 0.9977 0.9977 2.1804 2.1804 2.1836 2.1836 3.0521 3.0521 3.0619 3.0619 3.4788 3.4788 3.4886 3.4886 3.7578 3.7578 3.7805 3.7805 4.6987 4.6987 4.7084 4.7084 5.0623 5.0623 5.0649 5.0649 5.3221 5.3221 5.3246 5.3246 5.4423 5.4423 5.4467 5.4467 9.4774 9.4774 9.4785 9.4785 10.0487 10.0487 10.0505 10.0505 10.9494 10.9494 10.9514 10.9514 k = 0.5000-0.0000 0.1047 ( 4040 PWs) bands (ev): -54.7084 -54.7084 -54.7084 -54.7084 -30.6850 -30.6850 -30.6850 -30.6850 -28.3314 -28.3314 -28.3313 -28.3313 -28.1656 -28.1656 -28.1656 -28.1656 -10.4497 -10.4497 -10.4492 -10.4492 -10.1556 -10.1556 -10.1546 -10.1546 -9.4518 -9.4518 -9.4513 -9.4513 0.9984 0.9984 0.9992 0.9992 2.1541 2.1541 2.1569 2.1569 3.0552 3.0552 3.0638 3.0638 3.4812 3.4812 3.4898 3.4898 3.7992 3.7992 3.8201 3.8201 4.6920 4.6920 4.7021 4.7021 5.0614 5.0614 5.0640 5.0640 5.3277 5.3277 5.3299 5.3299 5.4275 5.4275 5.4318 5.4318 9.4761 9.4761 9.4772 9.4772 10.0457 10.0457 10.0475 10.0475 10.9535 10.9535 10.9554 10.9554 k = 0.5000-0.0000 0.0930 ( 4036 PWs) bands (ev): -54.7084 -54.7084 -54.7084 -54.7084 -30.6850 -30.6850 -30.6850 -30.6850 -28.3313 -28.3313 -28.3313 -28.3313 -28.1656 -28.1656 -28.1656 -28.1656 -10.4500 -10.4500 -10.4495 -10.4495 -10.1563 -10.1563 -10.1553 -10.1553 -9.4505 -9.4505 -9.4499 -9.4499 0.9999 0.9999 1.0006 1.0006 2.1301 2.1301 2.1326 2.1326 3.0574 3.0574 3.0650 3.0650 3.4828 3.4828 3.4901 3.4901 3.8404 3.8404 3.8595 3.8595 4.6848 4.6848 4.6951 4.6951 5.0603 5.0603 5.0630 5.0630 5.3306 5.3306 5.3323 5.3323 5.4158 5.4158 5.4197 5.4197 9.4748 9.4748 9.4758 9.4758 10.0430 10.0430 10.0446 10.0446 10.9573 10.9573 10.9591 10.9591 k = 0.5000-0.0000 0.0814 ( 4032 PWs) bands (ev): -54.7083 -54.7083 -54.7083 -54.7083 -30.6850 -30.6850 -30.6850 -30.6850 -28.3313 -28.3313 -28.3313 -28.3313 -28.1656 -28.1656 -28.1656 -28.1656 -10.4503 -10.4503 -10.4498 -10.4498 -10.1568 -10.1568 -10.1560 -10.1560 -9.4492 -9.4492 -9.4487 -9.4487 1.0012 1.0012 1.0019 1.0019 2.1085 2.1085 2.1108 2.1108 3.0590 3.0590 3.0655 3.0655 3.4838 3.4838 3.4900 3.4900 3.8804 3.8804 3.8977 3.8977 4.6772 4.6772 4.6875 4.6875 5.0592 5.0592 5.0619 5.0619 5.3299 5.3299 5.3310 5.3310 5.4083 5.4083 5.4114 5.4114 9.4735 9.4735 9.4745 9.4745 10.0406 10.0406 10.0420 10.0420 10.9609 10.9609 10.9625 10.9625 k = 0.5000-0.0000 0.0698 ( 4034 PWs) bands (ev): -54.7083 -54.7083 -54.7083 -54.7083 -30.6850 -30.6850 -30.6850 -30.6850 -28.3313 -28.3313 -28.3313 -28.3313 -28.1656 -28.1656 -28.1656 -28.1656 -10.4505 -10.4505 -10.4501 -10.4501 -10.1573 -10.1573 -10.1565 -10.1565 -9.4480 -9.4480 -9.4476 -9.4476 1.0025 1.0025 1.0031 1.0031 2.0896 2.0896 2.0915 2.0915 3.0601 3.0601 3.0656 3.0656 3.4844 3.4844 3.4895 3.4895 3.9183 3.9183 3.9336 3.9336 4.6693 4.6693 4.6793 4.6793 5.0580 5.0580 5.0606 5.0606 5.3258 5.3258 5.3262 5.3262 5.4050 5.4050 5.4072 5.4072 9.4724 9.4724 9.4733 9.4733 10.0384 10.0384 10.0397 10.0397 10.9641 10.9641 10.9656 10.9656 k = 0.5000-0.0000 0.0582 ( 4036 PWs) bands (ev): -54.7084 -54.7084 -54.7084 -54.7084 -30.6850 -30.6850 -30.6850 -30.6850 -28.3313 -28.3313 -28.3313 -28.3313 -28.1657 -28.1657 -28.1656 -28.1656 -10.4507 -10.4507 -10.4503 -10.4503 -10.1577 -10.1577 -10.1571 -10.1571 -9.4470 -9.4470 -9.4467 -9.4467 1.0037 1.0037 1.0042 1.0042 2.0735 2.0735 2.0751 2.0751 3.0609 3.0609 3.0655 3.0655 3.4847 3.4847 3.4889 3.4889 3.9531 3.9531 3.9664 3.9664 4.6615 4.6615 4.6708 4.6708 5.0569 5.0569 5.0593 5.0593 5.3192 5.3192 5.3193 5.3193 5.4049 5.4049 5.4063 5.4063 9.4714 9.4714 9.4721 9.4721 10.0365 10.0365 10.0377 10.0377 10.9670 10.9670 10.9682 10.9682 k = 0.5000-0.0000 0.0465 ( 4036 PWs) bands (ev): -54.7084 -54.7084 -54.7084 -54.7084 -30.6850 -30.6850 -30.6850 -30.6850 -28.3313 -28.3313 -28.3313 -28.3313 -28.1657 -28.1657 -28.1656 -28.1656 -10.4509 -10.4509 -10.4506 -10.4506 -10.1581 -10.1581 -10.1575 -10.1575 -9.4462 -9.4462 -9.4459 -9.4459 1.0047 1.0047 1.0051 1.0051 2.0601 2.0601 2.0614 2.0614 3.0616 3.0616 3.0652 3.0652 3.4850 3.4850 3.4883 3.4883 3.9839 3.9839 3.9950 3.9950 4.6542 4.6542 4.6624 4.6624 5.0558 5.0558 5.0580 5.0580 5.3117 5.3117 5.3121 5.3121 5.4063 5.4063 5.4072 5.4072 9.4705 9.4705 9.4711 9.4711 10.0350 10.0350 10.0359 10.0359 10.9694 10.9694 10.9704 10.9704 k = 0.5000-0.0000 0.0349 ( 4040 PWs) bands (ev): -54.7084 -54.7084 -54.7084 -54.7084 -30.6850 -30.6850 -30.6850 -30.6850 -28.3313 -28.3313 -28.3313 -28.3313 -28.1657 -28.1657 -28.1657 -28.1657 -10.4510 -10.4510 -10.4508 -10.4508 -10.1583 -10.1583 -10.1579 -10.1579 -9.4455 -9.4455 -9.4452 -9.4452 1.0055 1.0055 1.0058 1.0058 2.0497 2.0497 2.0507 2.0507 3.0621 3.0621 3.0648 3.0648 3.4852 3.4852 3.4876 3.4876 4.0097 4.0097 4.0183 4.0183 4.6479 4.6479 4.6546 4.6546 5.0550 5.0550 5.0567 5.0567 5.3050 5.3050 5.3054 5.3054 5.4081 5.4081 5.4087 5.4087 9.4698 9.4698 9.4703 9.4703 10.0339 10.0339 10.0346 10.0346 10.9713 10.9713 10.9721 10.9721 k = 0.5000-0.0000 0.0233 ( 4038 PWs) bands (ev): -54.7084 -54.7084 -54.7084 -54.7084 -30.6850 -30.6850 -30.6850 -30.6850 -28.3312 -28.3312 -28.3312 -28.3312 -28.1657 -28.1657 -28.1657 -28.1657 -10.4511 -10.4511 -10.4509 -10.4509 -10.1585 -10.1585 -10.1582 -10.1582 -9.4449 -9.4449 -9.4448 -9.4448 1.0061 1.0061 1.0063 1.0063 2.0423 2.0423 2.0429 2.0429 3.0625 3.0625 3.0643 3.0643 3.4854 3.4854 3.4870 3.4870 4.0294 4.0294 4.0353 4.0353 4.6433 4.6433 4.6480 4.6480 5.0544 5.0544 5.0556 5.0556 5.2998 5.2998 5.3002 5.3002 5.4099 5.4099 5.4102 5.4102 9.4694 9.4694 9.4697 9.4697 10.0331 10.0331 10.0335 10.0335 10.9728 10.9728 10.9733 10.9733 k = 0.5000-0.0000 0.0116 ( 4040 PWs) bands (ev): -54.7084 -54.7084 -54.7084 -54.7084 -30.6850 -30.6850 -30.6850 -30.6850 -28.3312 -28.3312 -28.3312 -28.3312 -28.1657 -28.1657 -28.1657 -28.1657 -10.4511 -10.4511 -10.4510 -10.4510 -10.1586 -10.1586 -10.1584 -10.1584 -9.4446 -9.4446 -9.4445 -9.4445 1.0065 1.0065 1.0066 1.0066 2.0379 2.0379 2.0382 2.0382 3.0629 3.0629 3.0638 3.0638 3.4856 3.4856 3.4864 3.4864 4.0423 4.0423 4.0453 4.0453 4.6408 4.6408 4.6432 4.6432 5.0542 5.0542 5.0548 5.0548 5.2966 5.2966 5.2968 5.2968 5.4110 5.4110 5.4112 5.4112 9.4691 9.4691 9.4693 9.4693 10.0326 10.0326 10.0329 10.0329 10.9737 10.9737 10.9740 10.9740 k = 0.5000-0.0000-0.0000 ( 4044 PWs) bands (ev): -54.7084 -54.7084 -54.7084 -54.7084 -30.6850 -30.6850 -30.6850 -30.6850 -28.3312 -28.3312 -28.3312 -28.3312 -28.1657 -28.1657 -28.1657 -28.1657 -10.4511 -10.4511 -10.4511 -10.4511 -10.1586 -10.1586 -10.1586 -10.1586 -9.4445 -9.4445 -9.4445 -9.4445 1.0067 1.0067 1.0067 1.0067 2.0365 2.0365 2.0365 2.0365 3.0634 3.0634 3.0634 3.0634 3.4860 3.4860 3.4860 3.4860 4.0477 4.0477 4.0477 4.0477 4.6407 4.6407 4.6407 4.6407 5.0543 5.0543 5.0543 5.0543 5.2956 5.2956 5.2956 5.2956 5.4115 5.4115 5.4115 5.4115 9.4691 9.4691 9.4691 9.4691 10.0326 10.0326 10.0326 10.0326 10.9741 10.9741 10.9741 10.9741 k = 0.0000 0.0000 0.2675 ( 4074 PWs) bands (ev): -54.7160 -54.7160 -54.7083 -54.7083 -30.6765 -30.6765 -30.6444 -30.6444 -28.3492 -28.3492 -28.3021 -28.3021 -28.1001 -28.1001 -28.0670 -28.0670 -11.3782 -11.3782 -10.7659 -10.7659 -10.3711 -10.3711 -10.3238 -10.3238 -9.8217 -9.8217 -9.2222 -9.2222 1.3796 1.3796 1.4756 1.4756 2.6284 2.6284 2.8373 2.8373 3.4358 3.4358 3.5108 3.5108 3.8641 3.8641 4.1615 4.1615 4.2520 4.2520 4.2784 4.2784 4.3202 4.3202 4.5573 4.5573 4.7477 4.7477 4.9576 4.9576 5.1936 5.1936 5.5660 5.5660 5.5945 5.5945 5.7979 5.7979 8.8263 8.8263 8.9375 8.9375 10.2594 10.2594 10.7156 10.7156 11.2337 11.2337 11.4998 11.4998 k = 0.0116-0.0000 0.2675 ( 4080 PWs) bands (ev): -54.7160 -54.7160 -54.7084 -54.7084 -30.6766 -30.6766 -30.6445 -30.6445 -28.3492 -28.3492 -28.3021 -28.3021 -28.1003 -28.1003 -28.0671 -28.0671 -11.3771 -11.3771 -10.7649 -10.7649 -10.3710 -10.3710 -10.3238 -10.3238 -9.8215 -9.8215 -9.2223 -9.2223 1.3793 1.3793 1.4730 1.4730 2.6287 2.6287 2.8366 2.8366 3.4354 3.4354 3.5106 3.5106 3.8641 3.8641 4.1642 4.1642 4.2521 4.2521 4.2789 4.2789 4.3124 4.3124 4.5605 4.5605 4.7475 4.7475 4.9611 4.9611 5.1904 5.1904 5.5669 5.5669 5.5950 5.5950 5.7976 5.7976 8.8275 8.8275 8.9390 8.9390 10.2594 10.2594 10.7152 10.7152 11.2244 11.2244 11.4884 11.4884 k = 0.0233-0.0000 0.2675 ( 4082 PWs) bands (ev): -54.7160 -54.7160 -54.7084 -54.7084 -30.6767 -30.6767 -30.6446 -30.6446 -28.3492 -28.3492 -28.3022 -28.3022 -28.1007 -28.1007 -28.0675 -28.0675 -11.3740 -11.3740 -10.7621 -10.7621 -10.3706 -10.3706 -10.3237 -10.3237 -9.8208 -9.8208 -9.2227 -9.2227 1.3781 1.3781 1.4654 1.4654 2.6294 2.6294 2.8343 2.8343 3.4344 3.4344 3.5101 3.5101 3.8638 3.8638 4.1726 4.1726 4.2499 4.2499 4.2789 4.2789 4.2949 4.2949 4.5683 4.5683 4.7469 4.7469 4.9714 4.9714 5.1809 5.1809 5.5692 5.5692 5.5967 5.5967 5.7970 5.7970 8.8314 8.8314 8.9434 8.9434 10.2593 10.2593 10.7139 10.7139 11.1978 11.1978 11.4557 11.4557 k = 0.0349-0.0000 0.2675 ( 4080 PWs) bands (ev): -54.7159 -54.7159 -54.7084 -54.7084 -30.6768 -30.6768 -30.6448 -30.6448 -28.3491 -28.3491 -28.3022 -28.3022 -28.1012 -28.1012 -28.0681 -28.0681 -11.3687 -11.3687 -10.7575 -10.7575 -10.3699 -10.3699 -10.3236 -10.3236 -9.8197 -9.8197 -9.2234 -9.2234 1.3752 1.3752 1.4539 1.4539 2.6306 2.6306 2.8305 2.8305 3.4326 3.4326 3.5092 3.5092 3.8627 3.8627 4.1857 4.1857 4.2327 4.2327 4.2748 4.2748 4.2893 4.2893 4.5772 4.5772 4.7464 4.7464 4.9873 4.9873 5.1659 5.1659 5.5718 5.5718 5.6000 5.6000 5.7958 5.7958 8.8378 8.8378 8.9508 8.9508 10.2592 10.2592 10.7116 10.7116 11.1567 11.1567 11.4055 11.4055 k = 0.0465-0.0000 0.2675 ( 4070 PWs) bands (ev): -54.7158 -54.7158 -54.7083 -54.7083 -30.6769 -30.6769 -30.6450 -30.6450 -28.3490 -28.3490 -28.3023 -28.3023 -28.1020 -28.1020 -28.0689 -28.0689 -11.3614 -11.3614 -10.7510 -10.7510 -10.3689 -10.3689 -10.3235 -10.3235 -9.8182 -9.8182 -9.2244 -9.2244 1.3690 1.3690 1.4406 1.4406 2.6323 2.6323 2.8253 2.8253 3.4301 3.4301 3.5080 3.5080 3.8600 3.8600 4.1843 4.1843 4.2142 4.2142 4.2781 4.2781 4.2937 4.2937 4.5842 4.5842 4.7466 4.7466 5.0074 5.0074 5.1465 5.1465 5.5736 5.5736 5.6055 5.6055 5.7941 5.7941 8.8468 8.8468 8.9609 8.9609 10.2590 10.2590 10.7081 10.7081 11.1049 11.1049 11.3421 11.3421 k = 0.0581-0.0000 0.2675 ( 4058 PWs) bands (ev): -54.7156 -54.7156 -54.7082 -54.7082 -30.6771 -30.6771 -30.6453 -30.6453 -28.3489 -28.3489 -28.3024 -28.3024 -28.1030 -28.1030 -28.0699 -28.0699 -11.3520 -11.3520 -10.7427 -10.7427 -10.3676 -10.3676 -10.3233 -10.3233 -9.8162 -9.8162 -9.2257 -9.2257 1.3565 1.3565 1.4291 1.4291 2.6345 2.6345 2.8186 2.8186 3.4268 3.4268 3.5063 3.5063 3.8552 3.8552 4.1386 4.1386 4.2343 4.2343 4.2881 4.2881 4.3012 4.3012 4.5880 4.5880 4.7478 4.7478 5.0292 5.0292 5.1244 5.1244 5.5740 5.5740 5.6125 5.6125 5.7918 5.7918 8.8582 8.8582 8.9736 8.9736 10.2587 10.2587 10.7029 10.7029 11.0460 11.0460 11.2695 11.2695 k = 0.0698-0.0000 0.2675 ( 4058 PWs) bands (ev): -54.7155 -54.7155 -54.7082 -54.7082 -30.6774 -30.6774 -30.6457 -30.6457 -28.3488 -28.3488 -28.3026 -28.3026 -28.1043 -28.1043 -28.0712 -28.0712 -11.3406 -11.3406 -10.7327 -10.7327 -10.3661 -10.3661 -10.3231 -10.3231 -9.8137 -9.8137 -9.2273 -9.2273 1.3355 1.3355 1.4221 1.4221 2.6370 2.6370 2.8105 2.8105 3.4227 3.4227 3.5042 3.5042 3.8478 3.8478 4.0846 4.0846 4.2562 4.2562 4.3043 4.3043 4.3143 4.3143 4.5882 4.5882 4.7501 4.7501 5.0469 5.0469 5.1050 5.1050 5.5734 5.5734 5.6204 5.6204 5.7889 5.7889 8.8720 8.8720 8.9886 8.9886 10.2583 10.2583 10.6951 10.6951 10.9836 10.9836 11.1907 11.1907 k = 0.0814-0.0000 0.2675 ( 4058 PWs) bands (ev): -54.7154 -54.7154 -54.7082 -54.7082 -30.6777 -30.6777 -30.6462 -30.6462 -28.3487 -28.3487 -28.3027 -28.3027 -28.1058 -28.1058 -28.0726 -28.0726 -11.3273 -11.3273 -10.7211 -10.7211 -10.3643 -10.3643 -10.3229 -10.3229 -9.8108 -9.8108 -9.2291 -9.2291 1.3068 1.3068 1.4197 1.4197 2.6399 2.6399 2.8011 2.8011 3.4178 3.4178 3.5015 3.5015 3.8377 3.8377 4.0274 4.0274 4.2720 4.2720 4.3177 4.3177 4.3455 4.3455 4.5851 4.5851 4.7534 4.7534 5.0428 5.0428 5.1054 5.1054 5.5719 5.5719 5.6282 5.6282 5.7851 5.7851 8.8880 8.8880 9.0057 9.0057 10.2576 10.2576 10.6832 10.6832 10.9213 10.9213 11.1083 11.1083 k = 0.0930-0.0000 0.2675 ( 4058 PWs) bands (ev): -54.7153 -54.7153 -54.7082 -54.7082 -30.6780 -30.6780 -30.6468 -30.6468 -28.3486 -28.3486 -28.3029 -28.3029 -28.1074 -28.1074 -28.0744 -28.0744 -11.3120 -11.3120 -10.7078 -10.7078 -10.3623 -10.3623 -10.3226 -10.3226 -9.8075 -9.8075 -9.2312 -9.2312 1.2726 1.2726 1.4202 1.4202 2.6432 2.6432 2.7904 2.7904 3.4120 3.4120 3.4980 3.4980 3.8249 3.8249 3.9686 3.9686 4.2831 4.2831 4.3300 4.3300 4.3901 4.3901 4.5794 4.5794 4.7577 4.7577 5.0170 5.0170 5.1250 5.1250 5.5697 5.5697 5.6351 5.6351 5.7803 5.7803 8.9061 8.9061 9.0246 9.0246 10.2566 10.2566 10.6645 10.6645 10.8635 10.8635 11.0245 11.0245 k = 0.1047-0.0000 0.2675 ( 4058 PWs) bands (ev): -54.7152 -54.7152 -54.7081 -54.7081 -30.6784 -30.6784 -30.6475 -30.6475 -28.3484 -28.3484 -28.3032 -28.3032 -28.1092 -28.1092 -28.0763 -28.0763 -11.2949 -11.2949 -10.6930 -10.6930 -10.3600 -10.3600 -10.3223 -10.3223 -9.8037 -9.8037 -9.2336 -9.2336 1.2346 1.2346 1.4227 1.4227 2.6467 2.6467 2.7785 2.7785 3.4053 3.4053 3.4936 3.4936 3.8094 3.8094 3.9098 3.9098 4.2921 4.2921 4.3427 4.3427 4.4420 4.4420 4.5718 4.5718 4.7627 4.7627 4.9846 4.9846 5.1487 5.1487 5.5670 5.5670 5.6409 5.6409 5.7746 5.7746 8.9260 8.9260 9.0447 9.0447 10.2552 10.2552 10.6353 10.6353 10.8146 10.8146 10.9418 10.9418 k = 0.1163-0.0000 0.2675 ( 4058 PWs) bands (ev): -54.7151 -54.7151 -54.7081 -54.7081 -30.6788 -30.6788 -30.6482 -30.6482 -28.3483 -28.3483 -28.3035 -28.3035 -28.1112 -28.1112 -28.0784 -28.0784 -11.2761 -11.2761 -10.6767 -10.6767 -10.3575 -10.3575 -10.3219 -10.3219 -9.7995 -9.7995 -9.2363 -9.2363 1.1940 1.1940 1.4267 1.4267 2.6505 2.6505 2.7653 2.7653 3.3976 3.3976 3.4878 3.4878 3.7897 3.7897 3.8535 3.8535 4.3003 4.3003 4.3553 4.3553 4.4982 4.4982 4.5635 4.5635 4.7683 4.7683 4.9499 4.9499 5.1722 5.1722 5.5638 5.5638 5.6451 5.6451 5.7676 5.7676 8.9476 8.9476 9.0657 9.0657 10.2533 10.2533 10.5940 10.5940 10.7754 10.7754 10.8641 10.8641 k = 0.1279-0.0000 0.2675 ( 4056 PWs) bands (ev): -54.7149 -54.7149 -54.7080 -54.7080 -30.6793 -30.6793 -30.6489 -30.6489 -28.3481 -28.3481 -28.3038 -28.3038 -28.1134 -28.1134 -28.0806 -28.0806 -11.2556 -11.2556 -10.6591 -10.6591 -10.3549 -10.3549 -10.3214 -10.3214 -9.7948 -9.7948 -9.2392 -9.2392 1.1518 1.1518 1.4319 1.4319 2.6545 2.6545 2.7510 2.7510 3.3889 3.3889 3.4802 3.4802 3.7607 3.7607 3.8066 3.8066 4.3080 4.3080 4.3668 4.3668 4.5488 4.5488 4.5635 4.5635 4.7745 4.7745 4.9145 4.9145 5.1943 5.1943 5.5600 5.5600 5.6475 5.6475 5.7593 5.7593 8.9705 8.9705 9.0868 9.0868 10.2507 10.2507 10.5438 10.5438 10.7348 10.7348 10.8020 10.8020 k = 0.1395-0.0000 0.2675 ( 4060 PWs) bands (ev): -54.7148 -54.7148 -54.7080 -54.7080 -30.6797 -30.6797 -30.6498 -30.6498 -28.3479 -28.3479 -28.3041 -28.3041 -28.1157 -28.1157 -28.0831 -28.0831 -11.2334 -11.2334 -10.6403 -10.6403 -10.3521 -10.3521 -10.3208 -10.3208 -9.7897 -9.7897 -9.2424 -9.2424 1.1087 1.1087 1.4381 1.4381 2.6583 2.6583 2.7357 2.7357 3.3791 3.3791 3.4698 3.4698 3.7173 3.7173 3.7758 3.7758 4.3155 4.3155 4.3759 4.3759 4.5468 4.5468 4.6171 4.6171 4.7815 4.7815 4.8806 4.8806 5.2143 5.2143 5.5558 5.5558 5.6480 5.6480 5.7497 5.7497 8.9942 8.9942 9.1076 9.1076 10.2472 10.2472 10.4900 10.4900 10.6771 10.6771 10.7685 10.7685 k = 0.1512-0.0000 0.2675 ( 4056 PWs) bands (ev): -54.7147 -54.7147 -54.7079 -54.7079 -30.6802 -30.6802 -30.6507 -30.6507 -28.3476 -28.3476 -28.3045 -28.3045 -28.1181 -28.1181 -28.0857 -28.0857 -11.2098 -11.2098 -10.6204 -10.6204 -10.3492 -10.3492 -10.3200 -10.3200 -9.7841 -9.7841 -9.2459 -9.2459 1.0653 1.0653 1.4454 1.4454 2.6614 2.6614 2.7199 2.7199 3.3680 3.3680 3.4550 3.4550 3.6698 3.6698 3.7531 3.7531 4.3223 4.3223 4.3810 4.3810 4.5437 4.5437 4.6683 4.6683 4.7894 4.7894 4.8538 4.8538 5.2319 5.2319 5.5511 5.5511 5.6466 5.6466 5.7385 5.7385 9.0181 9.0181 9.1275 9.1275 10.2427 10.2427 10.4371 10.4371 10.6129 10.6129 10.7512 10.7512 k = 0.1628-0.0000 0.2675 ( 4058 PWs) bands (ev): -54.7145 -54.7145 -54.7079 -54.7079 -30.6807 -30.6807 -30.6516 -30.6516 -28.3474 -28.3474 -28.3050 -28.3050 -28.1206 -28.1206 -28.0885 -28.0885 -11.1848 -11.1848 -10.5995 -10.5995 -10.3464 -10.3464 -10.3189 -10.3189 -9.7781 -9.7781 -9.2497 -9.2497 1.0221 1.0221 1.4536 1.4536 2.6621 2.6621 2.7050 2.7050 3.3555 3.3555 3.4342 3.4342 3.6270 3.6270 3.7325 3.7325 4.3281 4.3281 4.3813 4.3813 4.5450 4.5450 4.6970 4.6970 4.7972 4.7972 4.8505 4.8505 5.2470 5.2470 5.5460 5.5460 5.6432 5.6432 5.7260 5.7260 9.0413 9.0413 9.1459 9.1459 10.2368 10.2368 10.3880 10.3880 10.5526 10.5526 10.7395 10.7395 k = 0.1744-0.0000 0.2675 ( 4058 PWs) bands (ev): -54.7143 -54.7143 -54.7079 -54.7079 -30.6813 -30.6813 -30.6526 -30.6526 -28.3472 -28.3472 -28.3054 -28.3054 -28.1232 -28.1232 -28.0914 -28.0914 -11.1585 -11.1585 -10.5777 -10.5777 -10.3437 -10.3437 -10.3175 -10.3175 -9.7717 -9.7717 -9.2537 -9.2537 0.9796 0.9796 1.4630 1.4630 2.6559 2.6559 2.6955 2.6955 3.3413 3.3413 3.4059 3.4059 3.5926 3.5926 3.7128 3.7128 4.3309 4.3309 4.3779 4.3779 4.5508 4.5508 4.6903 4.6903 4.8026 4.8026 4.8853 4.8853 5.2593 5.2593 5.5403 5.5403 5.6378 5.6378 5.7120 5.7120 9.0628 9.0628 9.1629 9.1629 10.2296 10.2296 10.3446 10.3446 10.4997 10.4997 10.7299 10.7299 k = 0.1860-0.0000 0.2675 ( 4062 PWs) bands (ev): -54.7141 -54.7141 -54.7079 -54.7079 -30.6818 -30.6818 -30.6537 -30.6537 -28.3469 -28.3469 -28.3059 -28.3059 -28.1259 -28.1259 -28.0944 -28.0944 -11.1310 -11.1310 -10.5553 -10.5553 -10.3413 -10.3413 -10.3155 -10.3155 -9.7648 -9.7648 -9.2580 -9.2580 0.9381 0.9381 1.4733 1.4733 2.6397 2.6397 2.6942 2.6942 3.3242 3.3242 3.3716 3.3716 3.5671 3.5671 3.6937 3.6937 4.3272 4.3272 4.3750 4.3750 4.5588 4.5588 4.6636 4.6636 4.8092 4.8092 4.9404 4.9404 5.2688 5.2688 5.5342 5.5342 5.6307 5.6307 5.6968 5.6968 9.0807 9.0807 9.1787 9.1787 10.2209 10.2209 10.3085 10.3085 10.4558 10.4558 10.7212 10.7212 k = 0.1977-0.0000 0.2675 ( 4062 PWs) bands (ev): -54.7139 -54.7139 -54.7079 -54.7079 -30.6824 -30.6824 -30.6548 -30.6548 -28.3466 -28.3466 -28.3064 -28.3064 -28.1286 -28.1286 -28.0975 -28.0975 -11.1025 -11.1025 -10.5323 -10.5323 -10.3394 -10.3394 -10.3128 -10.3128 -9.7574 -9.7574 -9.2625 -9.2625 0.8982 0.8982 1.4847 1.4847 2.6167 2.6167 2.6974 2.6974 3.3008 3.3008 3.3372 3.3372 3.5488 3.5488 3.6751 3.6751 4.3142 4.3142 4.3766 4.3766 4.5617 4.5617 4.6363 4.6363 4.8169 4.8169 5.0015 5.0015 5.2754 5.2754 5.5275 5.5275 5.6220 5.6220 5.6807 5.6807 9.0934 9.0934 9.1946 9.1946 10.2110 10.2110 10.2812 10.2812 10.4212 10.4212 10.7128 10.7128 k = 0.2093-0.0000 0.2675 ( 4060 PWs) bands (ev): -54.7136 -54.7136 -54.7079 -54.7079 -30.6829 -30.6829 -30.6559 -30.6559 -28.3463 -28.3463 -28.3070 -28.3070 -28.1313 -28.1313 -28.1006 -28.1006 -11.0731 -11.0731 -10.5089 -10.5089 -10.3379 -10.3379 -10.3094 -10.3094 -9.7496 -9.7496 -9.2674 -9.2674 0.8600 0.8600 1.4971 1.4971 2.5896 2.5896 2.7025 2.7025 3.2665 3.2665 3.3105 3.3105 3.5351 3.5351 3.6572 3.6572 4.2938 4.2938 4.3816 4.3816 4.5440 4.5440 4.6282 4.6282 4.8254 4.8254 5.0635 5.0635 5.2789 5.2789 5.5204 5.5204 5.6120 5.6120 5.6638 5.6638 9.0993 9.0993 9.2113 9.2113 10.2003 10.2003 10.2637 10.2637 10.3954 10.3954 10.7045 10.7045 k = 0.2209-0.0000 0.2675 ( 4062 PWs) bands (ev): -54.7134 -54.7134 -54.7079 -54.7079 -30.6835 -30.6835 -30.6571 -30.6571 -28.3460 -28.3460 -28.3076 -28.3076 -28.1341 -28.1341 -28.1039 -28.1039 -11.0429 -11.0429 -10.4854 -10.4854 -10.3370 -10.3370 -10.3053 -10.3053 -9.7413 -9.7413 -9.2724 -9.2724 0.8239 0.8239 1.5105 1.5105 2.5589 2.5589 2.7085 2.7085 3.2258 3.2258 3.2892 3.2892 3.5244 3.5244 3.6402 3.6402 4.2685 4.2685 4.3877 4.3877 4.5074 4.5074 4.6388 4.6388 4.8344 4.8344 5.1239 5.1239 5.2792 5.2792 5.5127 5.5127 5.6011 5.6011 5.6466 5.6466 9.0984 9.0984 9.2290 9.2290 10.1905 10.1905 10.2558 10.2558 10.3774 10.3774 10.6962 10.6962 k = 0.2326-0.0000 0.2675 ( 4062 PWs) bands (ev): -54.7132 -54.7132 -54.7079 -54.7079 -30.6841 -30.6841 -30.6583 -30.6583 -28.3457 -28.3457 -28.3083 -28.3083 -28.1368 -28.1368 -28.1072 -28.1072 -11.0120 -11.0120 -10.4619 -10.4619 -10.3364 -10.3364 -10.3004 -10.3004 -9.7327 -9.7327 -9.2777 -9.2777 0.7903 0.7903 1.5248 1.5248 2.5250 2.5250 2.7149 2.7149 3.1846 3.1846 3.2693 3.2693 3.5153 3.5153 3.6240 3.6240 4.2397 4.2397 4.3916 4.3916 4.4662 4.4662 4.6562 4.6562 4.8441 4.8441 5.1812 5.1812 5.2762 5.2762 5.5045 5.5045 5.5899 5.5899 5.6295 5.6295 9.0919 9.0919 9.2474 9.2474 10.1835 10.1835 10.2556 10.2556 10.3664 10.3664 10.6877 10.6877 k = 0.2442-0.0000 0.2675 ( 4064 PWs) bands (ev): -54.7130 -54.7130 -54.7078 -54.7078 -30.6846 -30.6846 -30.6596 -30.6596 -28.3454 -28.3454 -28.3090 -28.3090 -28.1395 -28.1395 -28.1105 -28.1105 -10.9807 -10.9807 -10.4386 -10.4386 -10.3363 -10.3363 -10.2948 -10.2948 -9.7235 -9.7235 -9.2833 -9.2833 0.7592 0.7592 1.5399 1.5399 2.4879 2.4879 2.7217 2.7217 3.1454 3.1454 3.2493 3.2493 3.5071 3.5071 3.6087 3.6087 4.2084 4.2084 4.3812 4.3812 4.4365 4.4365 4.6759 4.6759 4.8544 4.8544 5.2333 5.2333 5.2707 5.2707 5.4957 5.4957 5.5790 5.5790 5.6130 5.6130 9.0816 9.0816 9.2657 9.2657 10.1809 10.1809 10.2600 10.2600 10.3627 10.3627 10.6791 10.6791 k = 0.2558-0.0000 0.2675 ( 4060 PWs) bands (ev): -54.7127 -54.7127 -54.7077 -54.7077 -30.6851 -30.6851 -30.6609 -30.6609 -28.3450 -28.3450 -28.3097 -28.3097 -28.1421 -28.1421 -28.1139 -28.1139 -10.9491 -10.9491 -10.4159 -10.4159 -10.3362 -10.3362 -10.2887 -10.2887 -9.7140 -9.7140 -9.2891 -9.2891 0.7310 0.7310 1.5556 1.5556 2.4478 2.4478 2.7287 2.7287 3.1091 3.1091 3.2289 3.2289 3.4995 3.4995 3.5943 3.5943 4.1749 4.1749 4.3429 4.3429 4.4331 4.4331 4.6965 4.6965 4.8653 4.8653 5.2564 5.2564 5.2849 5.2849 5.4865 5.4865 5.5695 5.5695 5.5975 5.5975 9.0695 9.0695 9.2835 9.2835 10.1831 10.1831 10.2652 10.2652 10.3675 10.3675 10.6705 10.6705 k = 0.2674-0.0000 0.2675 ( 4062 PWs) bands (ev): -54.7126 -54.7126 -54.7077 -54.7077 -30.6856 -30.6856 -30.6622 -30.6622 -28.3447 -28.3447 -28.3105 -28.3105 -28.1447 -28.1447 -28.1173 -28.1173 -10.9173 -10.9173 -10.3941 -10.3941 -10.3361 -10.3361 -10.2819 -10.2819 -9.7040 -9.7040 -9.2952 -9.2952 0.7058 0.7058 1.5716 1.5716 2.4054 2.4054 2.7359 2.7359 3.0764 3.0764 3.2082 3.2082 3.4921 3.4921 3.5809 3.5809 4.1396 4.1396 4.2930 4.2930 4.4403 4.4403 4.7172 4.7172 4.8769 4.8769 5.2445 5.2445 5.3230 5.3230 5.4770 5.4770 5.5623 5.5623 5.5838 5.5838 9.0573 9.0573 9.3007 9.3007 10.1897 10.1897 10.2681 10.2681 10.3821 10.3821 10.6622 10.6622 k = 0.2791-0.0000 0.2675 ( 4058 PWs) bands (ev): -54.7123 -54.7123 -54.7076 -54.7076 -30.6860 -30.6860 -30.6635 -30.6635 -28.3443 -28.3443 -28.3114 -28.3114 -28.1472 -28.1472 -28.1206 -28.1206 -10.8855 -10.8855 -10.3743 -10.3743 -10.3350 -10.3350 -10.2745 -10.2745 -9.6937 -9.6937 -9.3015 -9.3015 0.6839 0.6839 1.5875 1.5875 2.3611 2.3611 2.7432 2.7432 3.0472 3.0472 3.1870 3.1870 3.4848 3.4848 3.5685 3.5685 4.1027 4.1027 4.2395 4.2395 4.4501 4.4501 4.7378 4.7378 4.8891 4.8891 5.2283 5.2283 5.3524 5.3524 5.4674 5.4674 5.5581 5.5581 5.5734 5.5734 9.0468 9.0468 9.3172 9.3172 10.1997 10.1997 10.2682 10.2682 10.4055 10.4055 10.6546 10.6546 k = 0.2907-0.0000 0.2675 ( 4064 PWs) bands (ev): -54.7121 -54.7121 -54.7077 -54.7077 -30.6865 -30.6865 -30.6649 -30.6649 -28.3439 -28.3439 -28.3123 -28.3123 -28.1496 -28.1496 -28.1240 -28.1240 -10.8538 -10.8538 -10.3592 -10.3592 -10.3305 -10.3305 -10.2665 -10.2665 -9.6829 -9.6829 -9.3080 -9.3080 0.6653 0.6653 1.6025 1.6025 2.3163 2.3163 2.7505 2.7505 3.0216 3.0216 3.1656 3.1656 3.4774 3.4774 3.5570 3.5570 4.0644 4.0644 4.1843 4.1843 4.4612 4.4612 4.7579 4.7579 4.9020 4.9020 5.2093 5.2093 5.3695 5.3695 5.4584 5.4584 5.5535 5.5535 5.5713 5.5713 9.0391 9.0391 9.3333 9.3333 10.2107 10.2107 10.2670 10.2670 10.4357 10.4357 10.6482 10.6482 k = 0.3023-0.0000 0.2675 ( 4058 PWs) bands (ev): -54.7119 -54.7119 -54.7076 -54.7076 -30.6869 -30.6869 -30.6662 -30.6662 -28.3435 -28.3435 -28.3132 -28.3132 -28.1519 -28.1519 -28.1273 -28.1273 -10.8225 -10.8225 -10.3524 -10.3524 -10.3192 -10.3192 -10.2577 -10.2577 -9.6718 -9.6718 -9.3148 -9.3148 0.6504 0.6504 1.6158 1.6158 2.2721 2.2721 2.7578 2.7578 2.9992 2.9992 3.1440 3.1440 3.4698 3.4698 3.5464 3.5464 4.0247 4.0247 4.1284 4.1284 4.4730 4.4730 4.7774 4.7774 4.9154 4.9154 5.1883 5.1883 5.3741 5.3741 5.4498 5.4498 5.5468 5.5468 5.5796 5.5796 9.0353 9.0353 9.3491 9.3491 10.2195 10.2195 10.2673 10.2673 10.4702 10.4702 10.6437 10.6437 k = 0.3140-0.0000 0.2675 ( 4052 PWs) bands (ev): -54.7116 -54.7116 -54.7075 -54.7075 -30.6872 -30.6872 -30.6675 -30.6675 -28.3430 -28.3430 -28.3141 -28.3141 -28.1540 -28.1540 -28.1305 -28.1305 -10.7916 -10.7916 -10.3514 -10.3514 -10.3038 -10.3038 -10.2482 -10.2482 -9.6604 -9.6604 -9.3218 -9.3218 0.6390 0.6390 1.6259 1.6259 2.2306 2.2306 2.7650 2.7650 2.9799 2.9799 3.1224 3.1224 3.4620 3.4620 3.5367 3.5367 3.9838 3.9838 4.0723 4.0723 4.4853 4.4853 4.7962 4.7962 4.9291 4.9291 5.1660 5.1660 5.3685 5.3685 5.4414 5.4414 5.5407 5.5407 5.5933 5.5933 9.0360 9.0360 9.3650 9.3650 10.2221 10.2221 10.2717 10.2717 10.5073 10.5073 10.6423 10.6423 k = 0.3256-0.0000 0.2675 ( 4052 PWs) bands (ev): -54.7114 -54.7114 -54.7075 -54.7075 -30.6875 -30.6875 -30.6688 -30.6688 -28.3425 -28.3425 -28.3151 -28.3151 -28.1561 -28.1561 -28.1336 -28.1336 -10.7614 -10.7614 -10.3526 -10.3526 -10.2881 -10.2881 -10.2379 -10.2379 -9.6487 -9.6487 -9.3290 -9.3290 0.6315 0.6315 1.6310 1.6310 2.1939 2.1939 2.7719 2.7719 2.9634 2.9634 3.1007 3.1007 3.4539 3.4539 3.5279 3.5279 3.9413 3.9413 4.0171 4.0171 4.4981 4.4981 4.8141 4.8141 4.9427 4.9427 5.1433 5.1433 5.3563 5.3563 5.4323 5.4323 5.5361 5.5361 5.6088 5.6088 9.0417 9.0417 9.3810 9.3810 10.2182 10.2182 10.2789 10.2789 10.5454 10.5454 10.6453 10.6453 k = 0.3372-0.0000 0.2675 ( 4046 PWs) bands (ev): -54.7111 -54.7111 -54.7075 -54.7075 -30.6878 -30.6878 -30.6702 -30.6702 -28.3420 -28.3420 -28.3162 -28.3162 -28.1580 -28.1580 -28.1367 -28.1367 -10.7319 -10.7319 -10.3547 -10.3547 -10.2733 -10.2733 -10.2269 -10.2269 -9.6367 -9.6367 -9.3365 -9.3365 0.6279 0.6279 1.6290 1.6290 2.1646 2.1646 2.7785 2.7785 2.9493 2.9493 3.0792 3.0792 3.4455 3.4455 3.5198 3.5198 3.8968 3.8968 3.9640 3.9640 4.5114 4.5114 4.8312 4.8312 4.9556 4.9556 5.1215 5.1215 5.3403 5.3403 5.4225 5.4225 5.5329 5.5329 5.6235 5.6235 9.0526 9.0526 9.3972 9.3972 10.2102 10.2102 10.2850 10.2850 10.5830 10.5830 10.6539 10.6539 k = 0.3488-0.0000 0.2675 ( 4044 PWs) bands (ev): -54.7108 -54.7108 -54.7075 -54.7075 -30.6880 -30.6880 -30.6714 -30.6714 -28.3415 -28.3415 -28.3172 -28.3172 -28.1597 -28.1597 -28.1397 -28.1397 -10.7034 -10.7034 -10.3576 -10.3576 -10.2597 -10.2597 -10.2155 -10.2155 -9.6245 -9.6245 -9.3442 -9.3442 0.6281 0.6281 1.6178 1.6178 2.1453 2.1453 2.7845 2.7845 2.9375 2.9375 3.0578 3.0578 3.4368 3.4368 3.5125 3.5125 3.8498 3.8498 3.9142 3.9142 4.5252 4.5252 4.8474 4.8474 4.9664 4.9664 5.1021 5.1021 5.3221 5.3221 5.4119 5.4119 5.5312 5.5312 5.6361 5.6361 9.0686 9.0686 9.4138 9.4138 10.2000 10.2000 10.2872 10.2872 10.6184 10.6184 10.6699 10.6699 k = 0.3605-0.0000 0.2675 ( 4050 PWs) bands (ev): -54.7107 -54.7107 -54.7076 -54.7076 -30.6882 -30.6882 -30.6728 -30.6728 -28.3410 -28.3410 -28.3183 -28.3183 -28.1613 -28.1613 -28.1426 -28.1426 -10.6759 -10.6759 -10.3609 -10.3609 -10.2473 -10.2473 -10.2039 -10.2039 -9.6121 -9.6121 -9.3521 -9.3521 0.6324 0.6324 1.5963 1.5963 2.1375 2.1375 2.7897 2.7897 2.9275 2.9275 3.0365 3.0365 3.4277 3.4277 3.5057 3.5057 3.8005 3.8005 3.8687 3.8687 4.5393 4.5393 4.8626 4.8626 4.9731 4.9731 5.0878 5.0878 5.3025 5.3025 5.4007 5.4007 5.5308 5.5308 5.6460 5.6460 9.0895 9.0895 9.4306 9.4306 10.1882 10.1882 10.2842 10.2842 10.6501 10.6501 10.6937 10.6937 k = 0.3721-0.0000 0.2675 ( 4048 PWs) bands (ev): -54.7104 -54.7104 -54.7076 -54.7076 -30.6883 -30.6883 -30.6740 -30.6740 -28.3404 -28.3404 -28.3194 -28.3194 -28.1627 -28.1627 -28.1453 -28.1453 -10.6495 -10.6495 -10.3648 -10.3648 -10.2357 -10.2357 -10.1927 -10.1927 -9.5996 -9.5996 -9.3603 -9.3603 0.6407 0.6407 1.5647 1.5647 2.1412 2.1412 2.7937 2.7937 2.9193 2.9193 3.0156 3.0156 3.4184 3.4184 3.4992 3.4992 3.7501 3.7501 3.8272 3.8272 4.5538 4.5538 4.8765 4.8765 4.9731 4.9731 5.0816 5.0816 5.2822 5.2822 5.3891 5.3891 5.5316 5.5316 5.6529 5.6529 9.1149 9.1149 9.4474 9.4474 10.1753 10.1753 10.2759 10.2759 10.6789 10.6789 10.7232 10.7232 k = 0.3837-0.0000 0.2675 ( 4050 PWs) bands (ev): -54.7103 -54.7103 -54.7075 -54.7075 -30.6883 -30.6883 -30.6753 -30.6753 -28.3398 -28.3398 -28.3206 -28.3206 -28.1639 -28.1639 -28.1480 -28.1480 -10.6244 -10.6244 -10.3691 -10.3691 -10.2249 -10.2249 -10.1822 -10.1822 -9.5870 -9.5870 -9.3686 -9.3686 0.6531 0.6531 1.5243 1.5243 2.1555 2.1555 2.7960 2.7960 2.9127 2.9127 2.9953 2.9953 3.4088 3.4088 3.4926 3.4926 3.7006 3.7006 3.7891 3.7891 4.5688 4.5688 4.8879 4.8879 4.9667 4.9667 5.0844 5.0844 5.2616 5.2616 5.3770 5.3770 5.5334 5.5334 5.6569 5.6569 9.1443 9.1443 9.4639 9.4639 10.1616 10.1616 10.2630 10.2630 10.7069 10.7069 10.7546 10.7546 k = 0.3953-0.0000 0.2675 ( 4060 PWs) bands (ev): -54.7102 -54.7102 -54.7077 -54.7077 -30.6883 -30.6883 -30.6765 -30.6765 -28.3391 -28.3391 -28.3217 -28.3217 -28.1649 -28.1649 -28.1505 -28.1505 -10.6005 -10.6005 -10.3740 -10.3740 -10.2145 -10.2145 -10.1727 -10.1727 -9.5743 -9.5743 -9.3772 -9.3772 0.6695 0.6695 1.4772 1.4772 2.1784 2.1784 2.7957 2.7957 2.9075 2.9075 2.9757 2.9757 3.3991 3.3991 3.4853 3.4853 3.6542 3.6542 3.7540 3.7540 4.5841 4.5841 4.8943 4.8943 4.9592 4.9592 5.0937 5.0937 5.2409 5.2409 5.3645 5.3645 5.5363 5.5363 5.6582 5.6582 9.1770 9.1770 9.4799 9.4799 10.1475 10.1475 10.2464 10.2464 10.7350 10.7350 10.7854 10.7854 k = 0.4070-0.0000 0.2675 ( 4060 PWs) bands (ev): -54.7100 -54.7100 -54.7077 -54.7077 -30.6883 -30.6883 -30.6777 -30.6777 -28.3385 -28.3385 -28.3228 -28.3228 -28.1658 -28.1658 -28.1528 -28.1528 -10.5781 -10.5781 -10.3793 -10.3793 -10.2046 -10.2046 -10.1643 -10.1643 -9.5617 -9.5617 -9.3861 -9.3861 0.6898 0.6898 1.4255 1.4255 2.2082 2.2082 2.7918 2.7918 2.9035 2.9035 2.9576 2.9576 3.3893 3.3893 3.4760 3.4760 3.6135 3.6135 3.7217 3.7217 4.5998 4.5998 4.8914 4.8914 4.9576 4.9576 5.1069 5.1069 5.2203 5.2203 5.3517 5.3517 5.5401 5.5401 5.6571 5.6571 9.2124 9.2124 9.4948 9.4948 10.1331 10.1331 10.2270 10.2270 10.7630 10.7630 10.8140 10.8140 k = 0.4186-0.0000 0.2675 ( 4060 PWs) bands (ev): -54.7098 -54.7098 -54.7078 -54.7078 -30.6881 -30.6881 -30.6788 -30.6788 -28.3377 -28.3377 -28.3240 -28.3240 -28.1664 -28.1664 -28.1550 -28.1550 -10.5570 -10.5570 -10.3853 -10.3853 -10.1952 -10.1952 -10.1573 -10.1573 -9.5491 -9.5491 -9.3952 -9.3952 0.7142 0.7142 1.3707 1.3707 2.2435 2.2435 2.7830 2.7830 2.9006 2.9006 2.9418 2.9418 3.3797 3.3797 3.4630 3.4630 3.5812 3.5812 3.6921 3.6921 4.6160 4.6160 4.8789 4.8789 4.9641 4.9641 5.1219 5.1219 5.1999 5.1999 5.3385 5.3385 5.5449 5.5449 5.6539 5.6539 9.2497 9.2497 9.5080 9.5080 10.1191 10.1191 10.2058 10.2058 10.7902 10.7902 10.8398 10.8398 k = 0.4302-0.0000 0.2675 ( 4058 PWs) bands (ev): -54.7095 -54.7095 -54.7079 -54.7079 -30.6879 -30.6879 -30.6798 -30.6798 -28.3370 -28.3370 -28.3251 -28.3251 -28.1669 -28.1669 -28.1570 -28.1570 -10.5373 -10.5373 -10.3918 -10.3918 -10.1862 -10.1862 -10.1516 -10.1516 -9.5367 -9.5367 -9.4045 -9.4045 0.7424 0.7424 1.3142 1.3142 2.2828 2.2828 2.7679 2.7679 2.8988 2.8988 2.9290 2.9290 3.3705 3.3705 3.4451 3.4451 3.5594 3.5594 3.6653 3.6653 4.6326 4.6326 4.8614 4.8614 4.9753 4.9753 5.1377 5.1377 5.1801 5.1801 5.3250 5.3250 5.5506 5.5506 5.6489 5.6489 9.2881 9.2881 9.5188 9.5188 10.1058 10.1058 10.1837 10.1837 10.8160 10.8160 10.8621 10.8621 k = 0.4419-0.0000 0.2675 ( 4056 PWs) bands (ev): -54.7094 -54.7094 -54.7079 -54.7079 -30.6876 -30.6876 -30.6809 -30.6809 -28.3361 -28.3361 -28.3262 -28.3262 -28.1671 -28.1671 -28.1589 -28.1589 -10.5190 -10.5190 -10.3989 -10.3989 -10.1779 -10.1779 -10.1474 -10.1474 -9.5244 -9.5244 -9.4141 -9.4141 0.7744 0.7744 1.2570 1.2570 2.3254 2.3254 2.7461 2.7461 2.8978 2.8978 2.9195 2.9195 3.3620 3.3620 3.4237 3.4237 3.5475 3.5475 3.6412 3.6412 4.6496 4.6496 4.8418 4.8418 4.9887 4.9887 5.1516 5.1516 5.1629 5.1629 5.3111 5.3111 5.5571 5.5571 5.6424 5.6424 9.3266 9.3266 9.5263 9.5263 10.0939 10.0939 10.1616 10.1616 10.8398 10.8398 10.8808 10.8808 k = 0.4535-0.0000 0.2675 ( 4056 PWs) bands (ev): -54.7092 -54.7092 -54.7080 -54.7080 -30.6872 -30.6872 -30.6818 -30.6818 -28.3353 -28.3353 -28.3274 -28.3274 -28.1672 -28.1672 -28.1605 -28.1605 -10.5020 -10.5020 -10.4068 -10.4068 -10.1701 -10.1701 -10.1447 -10.1447 -9.5122 -9.5122 -9.4240 -9.4240 0.8100 0.8100 1.2000 1.2000 2.3702 2.3702 2.7177 2.7177 2.8975 2.8975 2.9128 2.9128 3.3548 3.3548 3.4022 3.4022 3.5426 3.5426 3.6199 3.6199 4.6670 4.6670 4.8214 4.8214 5.0033 5.0033 5.1396 5.1396 5.1723 5.1723 5.2969 5.2969 5.5643 5.5643 5.6348 5.6348 9.3644 9.3644 9.5297 9.5297 10.0841 10.0841 10.1404 10.1404 10.8609 10.8609 10.8953 10.8953 k = 0.4651-0.0000 0.2675 ( 4052 PWs) bands (ev): -54.7090 -54.7090 -54.7081 -54.7081 -30.6868 -30.6868 -30.6827 -30.6827 -28.3344 -28.3344 -28.3284 -28.3284 -28.1670 -28.1670 -28.1620 -28.1620 -10.4863 -10.4863 -10.4154 -10.4154 -10.1631 -10.1631 -10.1435 -10.1435 -9.5003 -9.5003 -9.4341 -9.4341 0.8491 0.8491 1.1438 1.1438 2.4166 2.4166 2.6836 2.6836 2.8978 2.8978 2.9083 2.9083 3.3493 3.3493 3.3831 3.3831 3.5426 3.5426 3.6013 3.6013 4.6848 4.6848 4.8009 4.8009 5.0186 5.0186 5.1212 5.1212 5.1885 5.1885 5.2824 5.2824 5.5722 5.5722 5.6264 5.6264 9.4005 9.4005 9.5281 9.5281 10.0774 10.0774 10.1210 10.1210 10.8790 10.8790 10.9058 10.9058 k = 0.4767-0.0000 0.2675 ( 4050 PWs) bands (ev): -54.7088 -54.7088 -54.7082 -54.7082 -30.6863 -30.6863 -30.6835 -30.6835 -28.3335 -28.3335 -28.3295 -28.3295 -28.1667 -28.1667 -28.1633 -28.1633 -10.4718 -10.4718 -10.4248 -10.4248 -10.1570 -10.1570 -10.1436 -10.1436 -9.4886 -9.4886 -9.4444 -9.4444 0.8914 0.8914 1.0890 1.0890 2.4639 2.4639 2.6448 2.6448 2.8985 2.8985 2.9051 2.9051 3.3462 3.3462 3.3677 3.3677 3.5459 3.5459 3.5852 3.5852 4.7031 4.7031 4.7806 4.7806 5.0345 5.0345 5.1030 5.1030 5.2048 5.2048 5.2675 5.2675 5.5807 5.5807 5.6174 5.6174 9.4339 9.4339 9.5209 9.5209 10.0742 10.0742 10.1041 10.1041 10.8935 10.8935 10.9119 10.9119 k = 0.4884-0.0000 0.2675 ( 4046 PWs) bands (ev): -54.7086 -54.7086 -54.7083 -54.7083 -30.6857 -30.6857 -30.6843 -30.6843 -28.3326 -28.3326 -28.3306 -28.3306 -28.1661 -28.1661 -28.1644 -28.1644 -10.4585 -10.4585 -10.4351 -10.4351 -10.1519 -10.1519 -10.1451 -10.1451 -9.4772 -9.4772 -9.4551 -9.4551 0.9369 0.9369 1.0360 1.0360 2.5111 2.5111 2.6025 2.6025 2.8996 2.8996 2.9028 2.9028 3.3460 3.3460 3.3564 3.3564 3.5520 3.5520 3.5717 3.5717 4.7219 4.7219 4.7607 4.7607 5.0509 5.0509 5.0851 5.0851 5.2209 5.2209 5.2523 5.2523 5.5896 5.5896 5.6081 5.6081 9.4634 9.4634 9.5075 9.5075 10.0753 10.0753 10.0905 10.0905 10.9043 10.9043 10.9136 10.9136 k = 0.5000-0.0000 0.2675 ( 4040 PWs) bands (ev): -54.7084 -54.7084 -54.7084 -54.7084 -30.6850 -30.6850 -30.6850 -30.6850 -28.3316 -28.3316 -28.3316 -28.3316 -28.1654 -28.1654 -28.1654 -28.1654 -10.4463 -10.4463 -10.4463 -10.4463 -10.1479 -10.1479 -10.1479 -10.1479 -9.4660 -9.4660 -9.4660 -9.4660 0.9852 0.9852 0.9852 0.9852 2.5576 2.5576 2.5576 2.5576 2.9010 2.9010 2.9010 2.9010 3.3493 3.3493 3.3493 3.3493 3.5607 3.5607 3.5607 3.5607 4.7411 4.7411 4.7411 4.7411 5.0678 5.0678 5.0678 5.0678 5.2368 5.2368 5.2368 5.2368 5.5988 5.5988 5.5988 5.5988 9.4883 9.4883 9.4883 9.4883 10.0808 10.0808 10.0808 10.0808 10.9111 10.9111 10.9111 10.9111 Writing output data file MoO3.save init_run : 0.34s CPU 0.45s WALL ( 1 calls) electrons : 237.22s CPU 241.02s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 237.20s CPU 241.01s 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 : 0.05s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.06s WALL ( 310 calls) cegterg : 223.95s CPU 227.09s WALL ( 496 calls) Called by sum_band: Called by *egterg: h_psi : 103.45s CPU 105.52s WALL ( 7511 calls) s_psi : 8.49s CPU 8.69s WALL ( 7511 calls) g_psi : 0.37s CPU 0.41s WALL ( 6705 calls) cdiaghg : 89.19s CPU 90.23s WALL ( 7015 calls) cegterg:over : 13.28s CPU 13.29s WALL ( 6705 calls) cegterg:upda : 9.68s CPU 9.67s WALL ( 6705 calls) cegterg:last : 6.33s CPU 6.35s WALL ( 1426 calls) cdiaghg:chol : 5.15s CPU 5.26s WALL ( 7015 calls) cdiaghg:inve : 3.85s CPU 3.77s WALL ( 7015 calls) cdiaghg:para : 6.50s CPU 6.66s WALL ( 14030 calls) Called by h_psi: h_psi:vloc : 84.39s CPU 86.24s WALL ( 7511 calls) h_psi:vnl : 18.67s CPU 18.85s WALL ( 7511 calls) add_vuspsi : 9.36s CPU 9.29s WALL ( 7511 calls) General routines calbec : 9.28s CPU 9.54s WALL ( 7511 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 77.92s CPU 79.76s WALL ( 1319588 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.22s CPU 0.29s WALL ( 620 calls) Parallel routines fft_scatter : 35.17s CPU 36.06s WALL ( 1319611 calls) PWSCF : 4m17.75s CPU 4m39.83s WALL This run was terminated on: 21: 0: 5 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=