Program PWSCF v.5.4.0 starts on 10Feb2017 at 15:43:21 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./CsLiMoO4.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 band group will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 97 97 26 3798 3798 542 Max 98 98 27 3803 3803 546 Sum 3493 3493 955 136787 136787 19579 bravais-lattice index = 14 lattice parameter (alat) = 11.1148 a.u. unit-cell volume = 970.9419 (a.u.)^3 number of atoms/cell = 7 number of atomic types = 4 number of electrons = 50.00 number of Kohn-Sham states= 60 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 412.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.114828 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.500000 celldm(5)= 0.500000 celldm(6)= 0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.500000 0.866025 0.000000 ) a(3) = ( 0.500000 0.288675 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.577350 -0.408248 ) b(2) = ( 0.000000 1.154701 -0.408248 ) b(3) = ( 0.000000 0.000000 1.224745 ) 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 PseudoPot. # 3 for Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 4 for Cs read from file: /users/gautes/Pseudo/Cs.rel-pbe-oncvpsp.UPF MD5 check sum: b26d75608c6aa7e713949ad9f7a49707 Pseudo is Norm-conserving, Zval = 9.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 2414 points, 14 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 3 l(12) = 3 l(13) = 3 l(14) = 3 atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Mo 14.00 95.94000 Mo( 1.00) Li 3.00 6.94100 Li( 1.00) Cs 9.00 132.90550 Cs( 1.00) 6 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 120 deg rotation - cryst. axis [0,0,1] cryst. s( 2) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 2) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 3) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 3) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 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 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 5) = ( 0.5000000 0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s( 6) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_3v (3m) there are 6 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3s_v -3s_v G_4 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6 1.00 -1.00 -1.00 1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3s_v -3s_v G_4 0.00 0.00 0.00 0.00 0.00 0.00 G_5 0.00 0.00 0.00 0.00 1.00 -1.00 G_6 0.00 0.00 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 2C3 2 3 120 deg rotation - cryst. axis [0,0,1] -2C3 -2 -3 120 deg rotation - cryst. axis [0,0,1] E 3s_v 4 5 -6 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 6 -4 -5 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 258 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038760 k( 2) = ( 0.0131579 -0.0075967 0.0107434), wk = 0.0038760 k( 3) = ( 0.0263158 -0.0151934 0.0214868), wk = 0.0038760 k( 4) = ( 0.0394737 -0.0227901 0.0322301), wk = 0.0038760 k( 5) = ( 0.0526316 -0.0303869 0.0429735), wk = 0.0038760 k( 6) = ( 0.0657895 -0.0379836 0.0537169), wk = 0.0038760 k( 7) = ( 0.0789474 -0.0455803 0.0644603), wk = 0.0038760 k( 8) = ( 0.0921053 -0.0531770 0.0752036), wk = 0.0038760 k( 9) = ( 0.1052632 -0.0607737 0.0859470), wk = 0.0038760 k( 10) = ( 0.1184210 -0.0683704 0.0966904), wk = 0.0038760 k( 11) = ( 0.1315790 -0.0759671 0.1074338), wk = 0.0038760 k( 12) = ( 0.1447368 -0.0835639 0.1181771), wk = 0.0038760 k( 13) = ( 0.1578947 -0.0911606 0.1289205), wk = 0.0038760 k( 14) = ( 0.1710526 -0.0987573 0.1396639), wk = 0.0038760 k( 15) = ( 0.1842105 -0.1063540 0.1504073), wk = 0.0038760 k( 16) = ( 0.1973684 -0.1139507 0.1611506), wk = 0.0038760 k( 17) = ( 0.2105263 -0.1215474 0.1718940), wk = 0.0038760 k( 18) = ( 0.2236842 -0.1291441 0.1826374), wk = 0.0038760 k( 19) = ( 0.2368421 -0.1367409 0.1933808), wk = 0.0038760 k( 20) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0038760 k( 21) = ( 0.2631579 -0.1519343 0.2148675), wk = 0.0038760 k( 22) = ( 0.2763158 -0.1595310 0.2256109), wk = 0.0038760 k( 23) = ( 0.2894737 -0.1671277 0.2363543), wk = 0.0038760 k( 24) = ( 0.3026316 -0.1747244 0.2470977), wk = 0.0038760 k( 25) = ( 0.3157895 -0.1823211 0.2578410), wk = 0.0038760 k( 26) = ( 0.3289474 -0.1899179 0.2685844), wk = 0.0038760 k( 27) = ( 0.3421053 -0.1975146 0.2793278), wk = 0.0038760 k( 28) = ( 0.3552632 -0.2051113 0.2900712), wk = 0.0038760 k( 29) = ( 0.3684211 -0.2127080 0.3008145), wk = 0.0038760 k( 30) = ( 0.3815789 -0.2203047 0.3115579), wk = 0.0038760 k( 31) = ( 0.3947368 -0.2279014 0.3223013), wk = 0.0038760 k( 32) = ( 0.4078947 -0.2354981 0.3330447), wk = 0.0038760 k( 33) = ( 0.4210526 -0.2430948 0.3437880), wk = 0.0038760 k( 34) = ( 0.4342105 -0.2506916 0.3545314), wk = 0.0038760 k( 35) = ( 0.4473684 -0.2582883 0.3652748), wk = 0.0038760 k( 36) = ( 0.4605263 -0.2658850 0.3760182), wk = 0.0038760 k( 37) = ( 0.4736842 -0.2734817 0.3867615), wk = 0.0038760 k( 38) = ( 0.4868421 -0.2810784 0.3975049), wk = 0.0038760 k( 39) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0038760 k( 40) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0038760 k( 41) = ( 0.5000000 -0.2734817 0.4189917), wk = 0.0038760 k( 42) = ( 0.5000000 -0.2582883 0.4297350), wk = 0.0038760 k( 43) = ( 0.5000000 -0.2430949 0.4404784), wk = 0.0038760 k( 44) = ( 0.5000000 -0.2279014 0.4512218), wk = 0.0038760 k( 45) = ( 0.5000000 -0.2127080 0.4619652), wk = 0.0038760 k( 46) = ( 0.5000000 -0.1975146 0.4727085), wk = 0.0038760 k( 47) = ( 0.5000000 -0.1823211 0.4834519), wk = 0.0038760 k( 48) = ( 0.5000000 -0.1671277 0.4941953), wk = 0.0038760 k( 49) = ( 0.5000000 -0.1519343 0.5049387), wk = 0.0038760 k( 50) = ( 0.5000000 -0.1367409 0.5156821), wk = 0.0038760 k( 51) = ( 0.5000000 -0.1215474 0.5264254), wk = 0.0038760 k( 52) = ( 0.5000000 -0.1063540 0.5371688), wk = 0.0038760 k( 53) = ( 0.5000000 -0.0911606 0.5479122), wk = 0.0038760 k( 54) = ( 0.5000000 -0.0759671 0.5586556), wk = 0.0038760 k( 55) = ( 0.5000000 -0.0607737 0.5693989), wk = 0.0038760 k( 56) = ( 0.5000000 -0.0455803 0.5801423), wk = 0.0038760 k( 57) = ( 0.5000000 -0.0303869 0.5908857), wk = 0.0038760 k( 58) = ( 0.5000000 -0.0151934 0.6016291), wk = 0.0038760 k( 59) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0038760 k( 60) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0038760 k( 61) = ( 0.4910714 0.0154647 0.6123724), wk = 0.0038760 k( 62) = ( 0.4821429 0.0309295 0.6123724), wk = 0.0038760 k( 63) = ( 0.4732143 0.0463942 0.6123724), wk = 0.0038760 k( 64) = ( 0.4642857 0.0618590 0.6123724), wk = 0.0038760 k( 65) = ( 0.4553571 0.0773237 0.6123724), wk = 0.0038760 k( 66) = ( 0.4464286 0.0927884 0.6123724), wk = 0.0038760 k( 67) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0038760 k( 68) = ( 0.4285714 0.1237179 0.6123724), wk = 0.0038760 k( 69) = ( 0.4196429 0.1391826 0.6123724), wk = 0.0038760 k( 70) = ( 0.4107143 0.1546474 0.6123724), wk = 0.0038760 k( 71) = ( 0.4017857 0.1701121 0.6123724), wk = 0.0038760 k( 72) = ( 0.3928571 0.1855769 0.6123724), wk = 0.0038760 k( 73) = ( 0.3839286 0.2010416 0.6123724), wk = 0.0038760 k( 74) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0038760 k( 75) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0038760 k( 76) = ( 0.3658537 0.2112257 0.5974365), wk = 0.0038760 k( 77) = ( 0.3567073 0.2059451 0.5825006), wk = 0.0038760 k( 78) = ( 0.3475610 0.2006644 0.5675647), wk = 0.0038760 k( 79) = ( 0.3384146 0.1953838 0.5526288), wk = 0.0038760 k( 80) = ( 0.3292683 0.1901031 0.5376929), wk = 0.0038760 k( 81) = ( 0.3201219 0.1848225 0.5227570), wk = 0.0038760 k( 82) = ( 0.3109756 0.1795419 0.5078210), wk = 0.0038760 k( 83) = ( 0.3018293 0.1742612 0.4928851), wk = 0.0038760 k( 84) = ( 0.2926829 0.1689806 0.4779492), wk = 0.0038760 k( 85) = ( 0.2835366 0.1636999 0.4630133), wk = 0.0038760 k( 86) = ( 0.2743902 0.1584193 0.4480774), wk = 0.0038760 k( 87) = ( 0.2652439 0.1531386 0.4331415), wk = 0.0038760 k( 88) = ( 0.2560976 0.1478580 0.4182056), wk = 0.0038760 k( 89) = ( 0.2469512 0.1425774 0.4032697), wk = 0.0038760 k( 90) = ( 0.2378049 0.1372967 0.3883337), wk = 0.0038760 k( 91) = ( 0.2286585 0.1320161 0.3733978), wk = 0.0038760 k( 92) = ( 0.2195122 0.1267354 0.3584619), wk = 0.0038760 k( 93) = ( 0.2103658 0.1214548 0.3435260), wk = 0.0038760 k( 94) = ( 0.2012195 0.1161741 0.3285901), wk = 0.0038760 k( 95) = ( 0.1920732 0.1108935 0.3136542), wk = 0.0038760 k( 96) = ( 0.1829268 0.1056129 0.2987183), wk = 0.0038760 k( 97) = ( 0.1737805 0.1003322 0.2837824), wk = 0.0038760 k( 98) = ( 0.1646342 0.0950516 0.2688464), wk = 0.0038760 k( 99) = ( 0.1554878 0.0897709 0.2539105), wk = 0.0038760 k( 100) = ( 0.1463415 0.0844903 0.2389746), wk = 0.0038760 k( 101) = ( 0.1371951 0.0792096 0.2240387), wk = 0.0038760 k( 102) = ( 0.1280488 0.0739290 0.2091028), wk = 0.0038760 k( 103) = ( 0.1189024 0.0686484 0.1941669), wk = 0.0038760 k( 104) = ( 0.1097561 0.0633677 0.1792310), wk = 0.0038760 k( 105) = ( 0.1006098 0.0580871 0.1642950), wk = 0.0038760 k( 106) = ( 0.0914634 0.0528064 0.1493591), wk = 0.0038760 k( 107) = ( 0.0823171 0.0475258 0.1344232), wk = 0.0038760 k( 108) = ( 0.0731707 0.0422451 0.1194873), wk = 0.0038760 k( 109) = ( 0.0640244 0.0369645 0.1045514), wk = 0.0038760 k( 110) = ( 0.0548780 0.0316839 0.0896155), wk = 0.0038760 k( 111) = ( 0.0457317 0.0264032 0.0746796), wk = 0.0038760 k( 112) = ( 0.0365854 0.0211226 0.0597436), wk = 0.0038760 k( 113) = ( 0.0274390 0.0158419 0.0448077), wk = 0.0038760 k( 114) = ( 0.0182927 0.0105613 0.0298718), wk = 0.0038760 k( 115) = ( 0.0091463 0.0052806 0.0149359), wk = 0.0038760 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038760 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038760 k( 118) = ( 0.0151515 0.0087477 0.0061856), wk = 0.0038760 k( 119) = ( 0.0303030 0.0174955 0.0123712), wk = 0.0038760 k( 120) = ( 0.0454546 0.0262432 0.0185567), wk = 0.0038760 k( 121) = ( 0.0606061 0.0349909 0.0247423), wk = 0.0038760 k( 122) = ( 0.0757576 0.0437387 0.0309279), wk = 0.0038760 k( 123) = ( 0.0909091 0.0524864 0.0371135), wk = 0.0038760 k( 124) = ( 0.1060606 0.0612341 0.0432991), wk = 0.0038760 k( 125) = ( 0.1212121 0.0699819 0.0494846), wk = 0.0038760 k( 126) = ( 0.1363636 0.0787296 0.0556702), wk = 0.0038760 k( 127) = ( 0.1515151 0.0874773 0.0618558), wk = 0.0038760 k( 128) = ( 0.1666667 0.0962250 0.0680414), wk = 0.0038760 k( 129) = ( 0.1818182 0.1049728 0.0742270), wk = 0.0038760 k( 130) = ( 0.1969697 0.1137205 0.0804125), wk = 0.0038760 k( 131) = ( 0.2121212 0.1224682 0.0865981), wk = 0.0038760 k( 132) = ( 0.2272727 0.1312160 0.0927837), wk = 0.0038760 k( 133) = ( 0.2424242 0.1399637 0.0989693), wk = 0.0038760 k( 134) = ( 0.2575758 0.1487114 0.1051549), wk = 0.0038760 k( 135) = ( 0.2727273 0.1574592 0.1113404), wk = 0.0038760 k( 136) = ( 0.2878788 0.1662069 0.1175260), wk = 0.0038760 k( 137) = ( 0.3030303 0.1749546 0.1237116), wk = 0.0038760 k( 138) = ( 0.3181818 0.1837024 0.1298972), wk = 0.0038760 k( 139) = ( 0.3333333 0.1924501 0.1360828), wk = 0.0038760 k( 140) = ( 0.3484849 0.2011978 0.1422683), wk = 0.0038760 k( 141) = ( 0.3636364 0.2099456 0.1484539), wk = 0.0038760 k( 142) = ( 0.3787879 0.2186933 0.1546395), wk = 0.0038760 k( 143) = ( 0.3939394 0.2274410 0.1608251), wk = 0.0038760 k( 144) = ( 0.4090909 0.2361887 0.1670107), wk = 0.0038760 k( 145) = ( 0.4242424 0.2449365 0.1731962), wk = 0.0038760 k( 146) = ( 0.4393939 0.2536842 0.1793818), wk = 0.0038760 k( 147) = ( 0.4545455 0.2624319 0.1855674), wk = 0.0038760 k( 148) = ( 0.4696970 0.2711797 0.1917530), wk = 0.0038760 k( 149) = ( 0.4848485 0.2799274 0.1979386), wk = 0.0038760 k( 150) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0038760 k( 151) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0038760 k( 152) = ( 0.5052083 0.2736400 0.2126293), wk = 0.0038760 k( 153) = ( 0.5104167 0.2586048 0.2211345), wk = 0.0038760 k( 154) = ( 0.5156250 0.2435696 0.2296397), wk = 0.0038760 k( 155) = ( 0.5208333 0.2285345 0.2381448), wk = 0.0038760 k( 156) = ( 0.5260417 0.2134993 0.2466500), wk = 0.0038760 k( 157) = ( 0.5312500 0.1984642 0.2551552), wk = 0.0038760 k( 158) = ( 0.5364583 0.1834290 0.2636604), wk = 0.0038760 k( 159) = ( 0.5416667 0.1683938 0.2721655), wk = 0.0038760 k( 160) = ( 0.5468750 0.1533587 0.2806707), wk = 0.0038760 k( 161) = ( 0.5520833 0.1383235 0.2891759), wk = 0.0038760 k( 162) = ( 0.5572917 0.1232883 0.2976810), wk = 0.0038760 k( 163) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0038760 k( 164) = ( 0.5677083 0.0932180 0.3146914), wk = 0.0038760 k( 165) = ( 0.5729167 0.0781829 0.3231966), wk = 0.0038760 k( 166) = ( 0.5781250 0.0631477 0.3317017), wk = 0.0038760 k( 167) = ( 0.5833333 0.0481125 0.3402069), wk = 0.0038760 k( 168) = ( 0.5885417 0.0330774 0.3487121), wk = 0.0038760 k( 169) = ( 0.5937500 0.0180422 0.3572173), wk = 0.0038760 k( 170) = ( 0.5989583 0.0030070 0.3657224), wk = 0.0038760 k( 171) = ( 0.6041667 -0.0120281 0.3742276), wk = 0.0038760 k( 172) = ( 0.6093750 -0.0270633 0.3827328), wk = 0.0038760 k( 173) = ( 0.6145833 -0.0420985 0.3912379), wk = 0.0038760 k( 174) = ( 0.6197917 -0.0571336 0.3997431), wk = 0.0038760 k( 175) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0038760 k( 176) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0038760 k( 177) = ( 0.6160714 -0.0670139 0.4228286), wk = 0.0038760 k( 178) = ( 0.6071429 -0.0618590 0.4374089), wk = 0.0038760 k( 179) = ( 0.5982143 -0.0567040 0.4519892), wk = 0.0038760 k( 180) = ( 0.5892857 -0.0515491 0.4665695), wk = 0.0038760 k( 181) = ( 0.5803571 -0.0463942 0.4811498), wk = 0.0038760 k( 182) = ( 0.5714286 -0.0412393 0.4957301), wk = 0.0038760 k( 183) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0038760 k( 184) = ( 0.5535714 -0.0309295 0.5248907), wk = 0.0038760 k( 185) = ( 0.5446429 -0.0257746 0.5394710), wk = 0.0038760 k( 186) = ( 0.5357143 -0.0206197 0.5540512), wk = 0.0038760 k( 187) = ( 0.5267857 -0.0154647 0.5686316), wk = 0.0038760 k( 188) = ( 0.5178571 -0.0103098 0.5832118), wk = 0.0038760 k( 189) = ( 0.5089286 -0.0051549 0.5977921), wk = 0.0038760 k( 190) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0038760 k( 191) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0038760 k( 192) = ( 0.5000000 0.0106917 0.5972521), wk = 0.0038760 k( 193) = ( 0.5000000 0.0213833 0.5821318), wk = 0.0038760 k( 194) = ( 0.5000000 0.0320750 0.5670115), wk = 0.0038760 k( 195) = ( 0.5000000 0.0427667 0.5518912), wk = 0.0038760 k( 196) = ( 0.5000000 0.0534584 0.5367709), wk = 0.0038760 k( 197) = ( 0.5000000 0.0641500 0.5216506), wk = 0.0038760 k( 198) = ( 0.5000000 0.0748417 0.5065303), wk = 0.0038760 k( 199) = ( 0.5000000 0.0855334 0.4914100), wk = 0.0038760 k( 200) = ( 0.5000000 0.0962250 0.4762897), wk = 0.0038760 k( 201) = ( 0.5000000 0.1069167 0.4611694), wk = 0.0038760 k( 202) = ( 0.5000000 0.1176084 0.4460491), wk = 0.0038760 k( 203) = ( 0.5000000 0.1283001 0.4309288), wk = 0.0038760 k( 204) = ( 0.5000000 0.1389917 0.4158084), wk = 0.0038760 k( 205) = ( 0.5000000 0.1496834 0.4006881), wk = 0.0038760 k( 206) = ( 0.5000000 0.1603751 0.3855678), wk = 0.0038760 k( 207) = ( 0.5000000 0.1710667 0.3704475), wk = 0.0038760 k( 208) = ( 0.5000000 0.1817584 0.3553272), wk = 0.0038760 k( 209) = ( 0.5000000 0.1924501 0.3402069), wk = 0.0038760 k( 210) = ( 0.5000000 0.2031418 0.3250866), wk = 0.0038760 k( 211) = ( 0.5000000 0.2138334 0.3099663), wk = 0.0038760 k( 212) = ( 0.5000000 0.2245251 0.2948460), wk = 0.0038760 k( 213) = ( 0.5000000 0.2352168 0.2797257), wk = 0.0038760 k( 214) = ( 0.5000000 0.2459084 0.2646054), wk = 0.0038760 k( 215) = ( 0.5000000 0.2566001 0.2494851), wk = 0.0038760 k( 216) = ( 0.5000000 0.2672918 0.2343648), wk = 0.0038760 k( 217) = ( 0.5000000 0.2779835 0.2192445), wk = 0.0038760 k( 218) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0038760 k( 219) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0038760 k( 220) = ( 0.4947917 0.2856681 0.2211345), wk = 0.0038760 k( 221) = ( 0.4895833 0.2826611 0.2381448), wk = 0.0038760 k( 222) = ( 0.4843750 0.2796540 0.2551552), wk = 0.0038760 k( 223) = ( 0.4791667 0.2766470 0.2721655), wk = 0.0038760 k( 224) = ( 0.4739583 0.2736400 0.2891759), wk = 0.0038760 k( 225) = ( 0.4687500 0.2706329 0.3061862), wk = 0.0038760 k( 226) = ( 0.4635417 0.2676259 0.3231966), wk = 0.0038760 k( 227) = ( 0.4583333 0.2646189 0.3402069), wk = 0.0038760 k( 228) = ( 0.4531250 0.2616118 0.3572173), wk = 0.0038760 k( 229) = ( 0.4479167 0.2586048 0.3742276), wk = 0.0038760 k( 230) = ( 0.4427083 0.2555978 0.3912379), wk = 0.0038760 k( 231) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0038760 k( 232) = ( 0.4322917 0.2495837 0.4252586), wk = 0.0038760 k( 233) = ( 0.4270833 0.2465767 0.4422690), wk = 0.0038760 k( 234) = ( 0.4218750 0.2435696 0.4592793), wk = 0.0038760 k( 235) = ( 0.4166667 0.2405626 0.4762897), wk = 0.0038760 k( 236) = ( 0.4114583 0.2375556 0.4933000), wk = 0.0038760 k( 237) = ( 0.4062500 0.2345485 0.5103104), wk = 0.0038760 k( 238) = ( 0.4010417 0.2315415 0.5273207), wk = 0.0038760 k( 239) = ( 0.3958333 0.2285345 0.5443311), wk = 0.0038760 k( 240) = ( 0.3906250 0.2255274 0.5613414), wk = 0.0038760 k( 241) = ( 0.3854167 0.2225204 0.5783517), wk = 0.0038760 k( 242) = ( 0.3802083 0.2195134 0.5953621), wk = 0.0038760 k( 243) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0038760 k( 244) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0038760 k( 245) = ( 0.6160714 -0.0876335 0.4082483), wk = 0.0038760 k( 246) = ( 0.6071429 -0.1030983 0.4082483), wk = 0.0038760 k( 247) = ( 0.5982143 -0.1185630 0.4082483), wk = 0.0038760 k( 248) = ( 0.5892857 -0.1340277 0.4082483), wk = 0.0038760 k( 249) = ( 0.5803571 -0.1494925 0.4082483), wk = 0.0038760 k( 250) = ( 0.5714286 -0.1649572 0.4082483), wk = 0.0038760 k( 251) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0038760 k( 252) = ( 0.5535714 -0.1958867 0.4082483), wk = 0.0038760 k( 253) = ( 0.5446429 -0.2113514 0.4082483), wk = 0.0038760 k( 254) = ( 0.5357143 -0.2268162 0.4082483), wk = 0.0038760 k( 255) = ( 0.5267857 -0.2422809 0.4082483), wk = 0.0038760 k( 256) = ( 0.5178571 -0.2577456 0.4082483), wk = 0.0038760 k( 257) = ( 0.5089286 -0.2732104 0.4082483), wk = 0.0038760 k( 258) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0038760 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038760 k( 2) = ( 0.0131579 -0.0000000 0.0131579), wk = 0.0038760 k( 3) = ( 0.0263158 -0.0000000 0.0263158), wk = 0.0038760 k( 4) = ( 0.0394737 -0.0000000 0.0394737), wk = 0.0038760 k( 5) = ( 0.0526316 -0.0000000 0.0526316), wk = 0.0038760 k( 6) = ( 0.0657895 -0.0000000 0.0657895), wk = 0.0038760 k( 7) = ( 0.0789474 -0.0000000 0.0789474), wk = 0.0038760 k( 8) = ( 0.0921053 -0.0000000 0.0921053), wk = 0.0038760 k( 9) = ( 0.1052632 -0.0000000 0.1052632), wk = 0.0038760 k( 10) = ( 0.1184210 -0.0000000 0.1184210), wk = 0.0038760 k( 11) = ( 0.1315790 -0.0000000 0.1315789), wk = 0.0038760 k( 12) = ( 0.1447368 -0.0000000 0.1447368), wk = 0.0038760 k( 13) = ( 0.1578947 -0.0000000 0.1578947), wk = 0.0038760 k( 14) = ( 0.1710526 -0.0000000 0.1710526), wk = 0.0038760 k( 15) = ( 0.1842105 -0.0000000 0.1842105), wk = 0.0038760 k( 16) = ( 0.1973684 -0.0000000 0.1973684), wk = 0.0038760 k( 17) = ( 0.2105263 -0.0000000 0.2105263), wk = 0.0038760 k( 18) = ( 0.2236842 -0.0000000 0.2236842), wk = 0.0038760 k( 19) = ( 0.2368421 -0.0000000 0.2368421), wk = 0.0038760 k( 20) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0038760 k( 21) = ( 0.2631579 0.0000000 0.2631579), wk = 0.0038760 k( 22) = ( 0.2763158 -0.0000000 0.2763158), wk = 0.0038760 k( 23) = ( 0.2894737 -0.0000000 0.2894737), wk = 0.0038760 k( 24) = ( 0.3026316 -0.0000000 0.3026316), wk = 0.0038760 k( 25) = ( 0.3157895 -0.0000000 0.3157895), wk = 0.0038760 k( 26) = ( 0.3289474 -0.0000000 0.3289474), wk = 0.0038760 k( 27) = ( 0.3421053 -0.0000000 0.3421053), wk = 0.0038760 k( 28) = ( 0.3552632 -0.0000000 0.3552632), wk = 0.0038760 k( 29) = ( 0.3684211 -0.0000000 0.3684210), wk = 0.0038760 k( 30) = ( 0.3815789 -0.0000000 0.3815789), wk = 0.0038760 k( 31) = ( 0.3947368 -0.0000000 0.3947368), wk = 0.0038760 k( 32) = ( 0.4078947 -0.0000000 0.4078947), wk = 0.0038760 k( 33) = ( 0.4210526 -0.0000000 0.4210526), wk = 0.0038760 k( 34) = ( 0.4342105 -0.0000000 0.4342105), wk = 0.0038760 k( 35) = ( 0.4473684 -0.0000000 0.4473684), wk = 0.0038760 k( 36) = ( 0.4605263 -0.0000000 0.4605263), wk = 0.0038760 k( 37) = ( 0.4736842 -0.0000000 0.4736842), wk = 0.0038760 k( 38) = ( 0.4868421 -0.0000000 0.4868421), wk = 0.0038760 k( 39) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0038760 k( 40) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0038760 k( 41) = ( 0.5000000 0.0131579 0.5131579), wk = 0.0038760 k( 42) = ( 0.5000000 0.0263158 0.5263158), wk = 0.0038760 k( 43) = ( 0.5000000 0.0394737 0.5394737), wk = 0.0038760 k( 44) = ( 0.5000000 0.0526316 0.5526316), wk = 0.0038760 k( 45) = ( 0.5000000 0.0657895 0.5657895), wk = 0.0038760 k( 46) = ( 0.5000000 0.0789474 0.5789474), wk = 0.0038760 k( 47) = ( 0.5000000 0.0921053 0.5921053), wk = 0.0038760 k( 48) = ( 0.5000000 0.1052632 0.6052632), wk = 0.0038760 k( 49) = ( 0.5000000 0.1184210 0.6184211), wk = 0.0038760 k( 50) = ( 0.5000000 0.1315789 0.6315789), wk = 0.0038760 k( 51) = ( 0.5000000 0.1447368 0.6447368), wk = 0.0038760 k( 52) = ( 0.5000000 0.1578947 0.6578947), wk = 0.0038760 k( 53) = ( 0.5000000 0.1710526 0.6710526), wk = 0.0038760 k( 54) = ( 0.5000000 0.1842105 0.6842105), wk = 0.0038760 k( 55) = ( 0.5000000 0.1973684 0.6973684), wk = 0.0038760 k( 56) = ( 0.5000000 0.2105263 0.7105263), wk = 0.0038760 k( 57) = ( 0.5000000 0.2236842 0.7236842), wk = 0.0038760 k( 58) = ( 0.5000000 0.2368421 0.7368421), wk = 0.0038760 k( 59) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0038760 k( 60) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0038760 k( 61) = ( 0.4910714 0.2589286 0.7500000), wk = 0.0038760 k( 62) = ( 0.4821429 0.2678571 0.7500000), wk = 0.0038760 k( 63) = ( 0.4732143 0.2767857 0.7500000), wk = 0.0038760 k( 64) = ( 0.4642857 0.2857143 0.7500000), wk = 0.0038760 k( 65) = ( 0.4553571 0.2946429 0.7500000), wk = 0.0038760 k( 66) = ( 0.4464286 0.3035714 0.7500000), wk = 0.0038760 k( 67) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0038760 k( 68) = ( 0.4285714 0.3214286 0.7500000), wk = 0.0038760 k( 69) = ( 0.4196429 0.3303571 0.7500000), wk = 0.0038760 k( 70) = ( 0.4107143 0.3392857 0.7500000), wk = 0.0038760 k( 71) = ( 0.4017857 0.3482143 0.7500000), wk = 0.0038760 k( 72) = ( 0.3928571 0.3571429 0.7500000), wk = 0.0038760 k( 73) = ( 0.3839286 0.3660714 0.7500000), wk = 0.0038760 k( 74) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0038760 k( 75) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0038760 k( 76) = ( 0.3658537 0.3658537 0.7317073), wk = 0.0038760 k( 77) = ( 0.3567073 0.3567073 0.7134146), wk = 0.0038760 k( 78) = ( 0.3475610 0.3475610 0.6951219), wk = 0.0038760 k( 79) = ( 0.3384146 0.3384146 0.6768293), wk = 0.0038760 k( 80) = ( 0.3292683 0.3292683 0.6585366), wk = 0.0038760 k( 81) = ( 0.3201219 0.3201219 0.6402439), wk = 0.0038760 k( 82) = ( 0.3109756 0.3109756 0.6219512), wk = 0.0038760 k( 83) = ( 0.3018293 0.3018293 0.6036585), wk = 0.0038760 k( 84) = ( 0.2926829 0.2926829 0.5853658), wk = 0.0038760 k( 85) = ( 0.2835366 0.2835366 0.5670732), wk = 0.0038760 k( 86) = ( 0.2743902 0.2743902 0.5487805), wk = 0.0038760 k( 87) = ( 0.2652439 0.2652439 0.5304878), wk = 0.0038760 k( 88) = ( 0.2560976 0.2560976 0.5121951), wk = 0.0038760 k( 89) = ( 0.2469512 0.2469512 0.4939024), wk = 0.0038760 k( 90) = ( 0.2378049 0.2378049 0.4756098), wk = 0.0038760 k( 91) = ( 0.2286585 0.2286585 0.4573171), wk = 0.0038760 k( 92) = ( 0.2195122 0.2195122 0.4390244), wk = 0.0038760 k( 93) = ( 0.2103658 0.2103658 0.4207317), wk = 0.0038760 k( 94) = ( 0.2012195 0.2012195 0.4024390), wk = 0.0038760 k( 95) = ( 0.1920732 0.1920732 0.3841463), wk = 0.0038760 k( 96) = ( 0.1829268 0.1829268 0.3658537), wk = 0.0038760 k( 97) = ( 0.1737805 0.1737805 0.3475610), wk = 0.0038760 k( 98) = ( 0.1646342 0.1646341 0.3292683), wk = 0.0038760 k( 99) = ( 0.1554878 0.1554878 0.3109756), wk = 0.0038760 k( 100) = ( 0.1463415 0.1463415 0.2926829), wk = 0.0038760 k( 101) = ( 0.1371951 0.1371951 0.2743902), wk = 0.0038760 k( 102) = ( 0.1280488 0.1280488 0.2560976), wk = 0.0038760 k( 103) = ( 0.1189024 0.1189024 0.2378049), wk = 0.0038760 k( 104) = ( 0.1097561 0.1097561 0.2195122), wk = 0.0038760 k( 105) = ( 0.1006098 0.1006098 0.2012195), wk = 0.0038760 k( 106) = ( 0.0914634 0.0914634 0.1829268), wk = 0.0038760 k( 107) = ( 0.0823171 0.0823171 0.1646342), wk = 0.0038760 k( 108) = ( 0.0731707 0.0731707 0.1463415), wk = 0.0038760 k( 109) = ( 0.0640244 0.0640244 0.1280488), wk = 0.0038760 k( 110) = ( 0.0548780 0.0548780 0.1097561), wk = 0.0038760 k( 111) = ( 0.0457317 0.0457317 0.0914634), wk = 0.0038760 k( 112) = ( 0.0365854 0.0365854 0.0731707), wk = 0.0038760 k( 113) = ( 0.0274390 0.0274390 0.0548780), wk = 0.0038760 k( 114) = ( 0.0182927 0.0182927 0.0365854), wk = 0.0038760 k( 115) = ( 0.0091463 0.0091463 0.0182927), wk = 0.0038760 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038760 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038760 k( 118) = ( 0.0151515 0.0151515 0.0151515), wk = 0.0038760 k( 119) = ( 0.0303030 0.0303030 0.0303030), wk = 0.0038760 k( 120) = ( 0.0454546 0.0454545 0.0454546), wk = 0.0038760 k( 121) = ( 0.0606061 0.0606061 0.0606061), wk = 0.0038760 k( 122) = ( 0.0757576 0.0757576 0.0757576), wk = 0.0038760 k( 123) = ( 0.0909091 0.0909091 0.0909091), wk = 0.0038760 k( 124) = ( 0.1060606 0.1060606 0.1060606), wk = 0.0038760 k( 125) = ( 0.1212121 0.1212121 0.1212121), wk = 0.0038760 k( 126) = ( 0.1363636 0.1363636 0.1363636), wk = 0.0038760 k( 127) = ( 0.1515151 0.1515151 0.1515151), wk = 0.0038760 k( 128) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0038760 k( 129) = ( 0.1818182 0.1818182 0.1818182), wk = 0.0038760 k( 130) = ( 0.1969697 0.1969697 0.1969697), wk = 0.0038760 k( 131) = ( 0.2121212 0.2121212 0.2121212), wk = 0.0038760 k( 132) = ( 0.2272727 0.2272727 0.2272727), wk = 0.0038760 k( 133) = ( 0.2424242 0.2424242 0.2424242), wk = 0.0038760 k( 134) = ( 0.2575758 0.2575758 0.2575758), wk = 0.0038760 k( 135) = ( 0.2727273 0.2727273 0.2727273), wk = 0.0038760 k( 136) = ( 0.2878788 0.2878788 0.2878788), wk = 0.0038760 k( 137) = ( 0.3030303 0.3030303 0.3030303), wk = 0.0038760 k( 138) = ( 0.3181818 0.3181818 0.3181818), wk = 0.0038760 k( 139) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0038760 k( 140) = ( 0.3484849 0.3484848 0.3484849), wk = 0.0038760 k( 141) = ( 0.3636364 0.3636364 0.3636364), wk = 0.0038760 k( 142) = ( 0.3787879 0.3787879 0.3787879), wk = 0.0038760 k( 143) = ( 0.3939394 0.3939394 0.3939394), wk = 0.0038760 k( 144) = ( 0.4090909 0.4090909 0.4090909), wk = 0.0038760 k( 145) = ( 0.4242424 0.4242424 0.4242424), wk = 0.0038760 k( 146) = ( 0.4393939 0.4393939 0.4393939), wk = 0.0038760 k( 147) = ( 0.4545455 0.4545454 0.4545454), wk = 0.0038760 k( 148) = ( 0.4696970 0.4696970 0.4696970), wk = 0.0038760 k( 149) = ( 0.4848485 0.4848485 0.4848485), wk = 0.0038760 k( 150) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0038760 k( 151) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0038760 k( 152) = ( 0.5052083 0.4895833 0.5052083), wk = 0.0038760 k( 153) = ( 0.5104167 0.4791667 0.5104167), wk = 0.0038760 k( 154) = ( 0.5156250 0.4687500 0.5156250), wk = 0.0038760 k( 155) = ( 0.5208333 0.4583333 0.5208333), wk = 0.0038760 k( 156) = ( 0.5260417 0.4479167 0.5260417), wk = 0.0038760 k( 157) = ( 0.5312500 0.4375000 0.5312500), wk = 0.0038760 k( 158) = ( 0.5364583 0.4270833 0.5364583), wk = 0.0038760 k( 159) = ( 0.5416667 0.4166667 0.5416667), wk = 0.0038760 k( 160) = ( 0.5468750 0.4062500 0.5468750), wk = 0.0038760 k( 161) = ( 0.5520833 0.3958333 0.5520833), wk = 0.0038760 k( 162) = ( 0.5572917 0.3854167 0.5572917), wk = 0.0038760 k( 163) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0038760 k( 164) = ( 0.5677083 0.3645833 0.5677083), wk = 0.0038760 k( 165) = ( 0.5729167 0.3541667 0.5729167), wk = 0.0038760 k( 166) = ( 0.5781250 0.3437500 0.5781250), wk = 0.0038760 k( 167) = ( 0.5833333 0.3333333 0.5833333), wk = 0.0038760 k( 168) = ( 0.5885417 0.3229167 0.5885417), wk = 0.0038760 k( 169) = ( 0.5937500 0.3125000 0.5937500), wk = 0.0038760 k( 170) = ( 0.5989583 0.3020833 0.5989583), wk = 0.0038760 k( 171) = ( 0.6041667 0.2916667 0.6041667), wk = 0.0038760 k( 172) = ( 0.6093750 0.2812500 0.6093750), wk = 0.0038760 k( 173) = ( 0.6145833 0.2708333 0.6145833), wk = 0.0038760 k( 174) = ( 0.6197917 0.2604167 0.6197917), wk = 0.0038760 k( 175) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0038760 k( 176) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0038760 k( 177) = ( 0.6160714 0.2500000 0.6339286), wk = 0.0038760 k( 178) = ( 0.6071429 0.2500000 0.6428571), wk = 0.0038760 k( 179) = ( 0.5982143 0.2500000 0.6517857), wk = 0.0038760 k( 180) = ( 0.5892857 0.2500000 0.6607143), wk = 0.0038760 k( 181) = ( 0.5803571 0.2500000 0.6696429), wk = 0.0038760 k( 182) = ( 0.5714286 0.2500000 0.6785714), wk = 0.0038760 k( 183) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0038760 k( 184) = ( 0.5535714 0.2500000 0.6964286), wk = 0.0038760 k( 185) = ( 0.5446429 0.2500000 0.7053571), wk = 0.0038760 k( 186) = ( 0.5357143 0.2500000 0.7142857), wk = 0.0038760 k( 187) = ( 0.5267857 0.2500000 0.7232143), wk = 0.0038760 k( 188) = ( 0.5178571 0.2500000 0.7321429), wk = 0.0038760 k( 189) = ( 0.5089286 0.2500000 0.7410714), wk = 0.0038760 k( 190) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0038760 k( 191) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0038760 k( 192) = ( 0.5000000 0.2592593 0.7407407), wk = 0.0038760 k( 193) = ( 0.5000000 0.2685185 0.7314815), wk = 0.0038760 k( 194) = ( 0.5000000 0.2777778 0.7222222), wk = 0.0038760 k( 195) = ( 0.5000000 0.2870370 0.7129630), wk = 0.0038760 k( 196) = ( 0.5000000 0.2962963 0.7037037), wk = 0.0038760 k( 197) = ( 0.5000000 0.3055556 0.6944444), wk = 0.0038760 k( 198) = ( 0.5000000 0.3148148 0.6851852), wk = 0.0038760 k( 199) = ( 0.5000000 0.3240741 0.6759259), wk = 0.0038760 k( 200) = ( 0.5000000 0.3333333 0.6666667), wk = 0.0038760 k( 201) = ( 0.5000000 0.3425926 0.6574074), wk = 0.0038760 k( 202) = ( 0.5000000 0.3518518 0.6481482), wk = 0.0038760 k( 203) = ( 0.5000000 0.3611111 0.6388889), wk = 0.0038760 k( 204) = ( 0.5000000 0.3703704 0.6296296), wk = 0.0038760 k( 205) = ( 0.5000000 0.3796296 0.6203704), wk = 0.0038760 k( 206) = ( 0.5000000 0.3888889 0.6111111), wk = 0.0038760 k( 207) = ( 0.5000000 0.3981481 0.6018518), wk = 0.0038760 k( 208) = ( 0.5000000 0.4074074 0.5925926), wk = 0.0038760 k( 209) = ( 0.5000000 0.4166667 0.5833333), wk = 0.0038760 k( 210) = ( 0.5000000 0.4259259 0.5740741), wk = 0.0038760 k( 211) = ( 0.5000000 0.4351852 0.5648148), wk = 0.0038760 k( 212) = ( 0.5000000 0.4444444 0.5555556), wk = 0.0038760 k( 213) = ( 0.5000000 0.4537037 0.5462963), wk = 0.0038760 k( 214) = ( 0.5000000 0.4629630 0.5370370), wk = 0.0038760 k( 215) = ( 0.5000000 0.4722222 0.5277778), wk = 0.0038760 k( 216) = ( 0.5000000 0.4814815 0.5185185), wk = 0.0038760 k( 217) = ( 0.5000000 0.4907407 0.5092593), wk = 0.0038760 k( 218) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0038760 k( 219) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0038760 k( 220) = ( 0.4947917 0.4947917 0.5104167), wk = 0.0038760 k( 221) = ( 0.4895833 0.4895833 0.5208333), wk = 0.0038760 k( 222) = ( 0.4843750 0.4843750 0.5312500), wk = 0.0038760 k( 223) = ( 0.4791667 0.4791667 0.5416667), wk = 0.0038760 k( 224) = ( 0.4739583 0.4739583 0.5520833), wk = 0.0038760 k( 225) = ( 0.4687500 0.4687500 0.5625000), wk = 0.0038760 k( 226) = ( 0.4635417 0.4635417 0.5729167), wk = 0.0038760 k( 227) = ( 0.4583333 0.4583333 0.5833333), wk = 0.0038760 k( 228) = ( 0.4531250 0.4531250 0.5937500), wk = 0.0038760 k( 229) = ( 0.4479167 0.4479167 0.6041667), wk = 0.0038760 k( 230) = ( 0.4427083 0.4427083 0.6145833), wk = 0.0038760 k( 231) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0038760 k( 232) = ( 0.4322917 0.4322917 0.6354167), wk = 0.0038760 k( 233) = ( 0.4270833 0.4270833 0.6458333), wk = 0.0038760 k( 234) = ( 0.4218750 0.4218750 0.6562500), wk = 0.0038760 k( 235) = ( 0.4166667 0.4166667 0.6666667), wk = 0.0038760 k( 236) = ( 0.4114583 0.4114583 0.6770833), wk = 0.0038760 k( 237) = ( 0.4062500 0.4062500 0.6875000), wk = 0.0038760 k( 238) = ( 0.4010417 0.4010417 0.6979167), wk = 0.0038760 k( 239) = ( 0.3958333 0.3958333 0.7083333), wk = 0.0038760 k( 240) = ( 0.3906250 0.3906250 0.7187500), wk = 0.0038760 k( 241) = ( 0.3854167 0.3854167 0.7291667), wk = 0.0038760 k( 242) = ( 0.3802083 0.3802083 0.7395833), wk = 0.0038760 k( 243) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0038760 k( 244) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0038760 k( 245) = ( 0.6160714 0.2321429 0.6160714), wk = 0.0038760 k( 246) = ( 0.6071429 0.2142857 0.6071429), wk = 0.0038760 k( 247) = ( 0.5982143 0.1964286 0.5982143), wk = 0.0038760 k( 248) = ( 0.5892857 0.1785714 0.5892857), wk = 0.0038760 k( 249) = ( 0.5803571 0.1607143 0.5803571), wk = 0.0038760 k( 250) = ( 0.5714286 0.1428571 0.5714286), wk = 0.0038760 k( 251) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0038760 k( 252) = ( 0.5535714 0.1071429 0.5535714), wk = 0.0038760 k( 253) = ( 0.5446429 0.0892857 0.5446429), wk = 0.0038760 k( 254) = ( 0.5357143 0.0714286 0.5357143), wk = 0.0038760 k( 255) = ( 0.5267857 0.0535714 0.5267857), wk = 0.0038760 k( 256) = ( 0.5178571 0.0357143 0.5178571), wk = 0.0038760 k( 257) = ( 0.5089286 0.0178571 0.5089286), wk = 0.0038760 k( 258) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0038760 Dense grid: 136787 G-vectors FFT dimensions: ( 72, 72, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.91 Mb ( 990, 60) NL pseudopotentials 1.25 Mb ( 495, 166) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.03 Mb ( 3799) G-vector shells 0.01 Mb ( 796) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 3.63 Mb ( 990, 240) Each subspace H/S matrix 0.05 Mb ( 60, 60) Each matrix 0.30 Mb ( 166, 2, 60) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./CsLiMoO4.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.8 secs Computing kpt #: 2 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 9.4 secs Computing kpt #: 3 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 12.8 secs Computing kpt #: 4 total cpu time spent up to now is 15.1 secs Computing kpt #: 5 total cpu time spent up to now is 17.4 secs Computing kpt #: 6 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 21.1 secs Computing kpt #: 7 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 24.8 secs Computing kpt #: 8 total cpu time spent up to now is 27.0 secs Computing kpt #: 9 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 30.7 secs Computing kpt #: 10 total cpu time spent up to now is 32.9 secs Computing kpt #: 11 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 36.6 secs Computing kpt #: 12 total cpu time spent up to now is 39.8 secs Computing kpt #: 13 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 43.4 secs Computing kpt #: 14 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 47.0 secs Computing kpt #: 15 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 50.6 secs Computing kpt #: 16 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 54.3 secs Computing kpt #: 17 total cpu time spent up to now is 56.5 secs Computing kpt #: 18 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 60.5 secs Computing kpt #: 19 total cpu time spent up to now is 62.7 secs Computing kpt #: 20 total cpu time spent up to now is 64.9 secs Computing kpt #: 21 total cpu time spent up to now is 67.1 secs Computing kpt #: 22 total cpu time spent up to now is 69.2 secs Computing kpt #: 23 total cpu time spent up to now is 71.4 secs Computing kpt #: 24 total cpu time spent up to now is 73.7 secs Computing kpt #: 25 total cpu time spent up to now is 75.8 secs Computing kpt #: 26 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 79.4 secs Computing kpt #: 27 total cpu time spent up to now is 81.6 secs Computing kpt #: 28 total cpu time spent up to now is 83.8 secs Computing kpt #: 29 total cpu time spent up to now is 85.9 secs Computing kpt #: 30 total cpu time spent up to now is 88.1 secs Computing kpt #: 31 total cpu time spent up to now is 90.2 secs Computing kpt #: 32 total cpu time spent up to now is 92.2 secs Computing kpt #: 33 total cpu time spent up to now is 94.3 secs Computing kpt #: 34 total cpu time spent up to now is 96.4 secs Computing kpt #: 35 total cpu time spent up to now is 98.4 secs Computing kpt #: 36 total cpu time spent up to now is 100.2 secs Computing kpt #: 37 total cpu time spent up to now is 102.1 secs Computing kpt #: 38 total cpu time spent up to now is 104.1 secs Computing kpt #: 39 total cpu time spent up to now is 106.2 secs Computing kpt #: 40 total cpu time spent up to now is 108.3 secs Computing kpt #: 41 total cpu time spent up to now is 110.3 secs Computing kpt #: 42 total cpu time spent up to now is 112.4 secs Computing kpt #: 43 total cpu time spent up to now is 114.4 secs Computing kpt #: 44 total cpu time spent up to now is 116.6 secs Computing kpt #: 45 total cpu time spent up to now is 118.7 secs Computing kpt #: 46 total cpu time spent up to now is 120.8 secs Computing kpt #: 47 total cpu time spent up to now is 122.8 secs Computing kpt #: 48 total cpu time spent up to now is 124.9 secs Computing kpt #: 49 total cpu time spent up to now is 126.9 secs Computing kpt #: 50 total cpu time spent up to now is 128.9 secs Computing kpt #: 51 total cpu time spent up to now is 130.9 secs Computing kpt #: 52 total cpu time spent up to now is 132.7 secs Computing kpt #: 53 total cpu time spent up to now is 134.6 secs Computing kpt #: 54 total cpu time spent up to now is 136.4 secs Computing kpt #: 55 total cpu time spent up to now is 138.1 secs Computing kpt #: 56 total cpu time spent up to now is 139.6 secs Computing kpt #: 57 total cpu time spent up to now is 141.1 secs Computing kpt #: 58 total cpu time spent up to now is 142.6 secs Computing kpt #: 59 total cpu time spent up to now is 144.2 secs Computing kpt #: 60 total cpu time spent up to now is 145.6 secs Computing kpt #: 61 total cpu time spent up to now is 147.2 secs Computing kpt #: 62 total cpu time spent up to now is 148.7 secs Computing kpt #: 63 total cpu time spent up to now is 150.2 secs Computing kpt #: 64 total cpu time spent up to now is 152.0 secs Computing kpt #: 65 total cpu time spent up to now is 153.8 secs Computing kpt #: 66 total cpu time spent up to now is 155.6 secs Computing kpt #: 67 total cpu time spent up to now is 157.4 secs Computing kpt #: 68 total cpu time spent up to now is 159.4 secs Computing kpt #: 69 total cpu time spent up to now is 161.2 secs Computing kpt #: 70 total cpu time spent up to now is 163.0 secs Computing kpt #: 71 total cpu time spent up to now is 164.9 secs Computing kpt #: 72 total cpu time spent up to now is 166.8 secs Computing kpt #: 73 total cpu time spent up to now is 168.6 secs Computing kpt #: 74 total cpu time spent up to now is 170.5 secs Computing kpt #: 75 total cpu time spent up to now is 172.4 secs Computing kpt #: 76 total cpu time spent up to now is 174.2 secs Computing kpt #: 77 total cpu time spent up to now is 176.1 secs Computing kpt #: 78 total cpu time spent up to now is 177.9 secs Computing kpt #: 79 total cpu time spent up to now is 179.7 secs Computing kpt #: 80 total cpu time spent up to now is 181.5 secs Computing kpt #: 81 total cpu time spent up to now is 183.3 secs Computing kpt #: 82 total cpu time spent up to now is 185.2 secs Computing kpt #: 83 total cpu time spent up to now is 187.0 secs Computing kpt #: 84 total cpu time spent up to now is 189.5 secs Computing kpt #: 85 total cpu time spent up to now is 191.6 secs Computing kpt #: 86 total cpu time spent up to now is 193.6 secs Computing kpt #: 87 total cpu time spent up to now is 195.8 secs Computing kpt #: 88 total cpu time spent up to now is 199.2 secs Computing kpt #: 89 total cpu time spent up to now is 201.7 secs Computing kpt #: 90 total cpu time spent up to now is 204.0 secs Computing kpt #: 91 total cpu time spent up to now is 207.0 secs Computing kpt #: 92 total cpu time spent up to now is 209.1 secs Computing kpt #: 93 total cpu time spent up to now is 211.2 secs Computing kpt #: 94 total cpu time spent up to now is 213.4 secs Computing kpt #: 95 total cpu time spent up to now is 215.6 secs Computing kpt #: 96 total cpu time spent up to now is 217.9 secs Computing kpt #: 97 total cpu time spent up to now is 220.1 secs Computing kpt #: 98 total cpu time spent up to now is 222.2 secs Computing kpt #: 99 total cpu time spent up to now is 224.4 secs Computing kpt #: 100 total cpu time spent up to now is 226.6 secs Computing kpt #: 101 total cpu time spent up to now is 228.8 secs Computing kpt #: 102 total cpu time spent up to now is 231.1 secs Computing kpt #: 103 total cpu time spent up to now is 233.3 secs Computing kpt #: 104 total cpu time spent up to now is 235.7 secs Computing kpt #: 105 total cpu time spent up to now is 238.9 secs Computing kpt #: 106 total cpu time spent up to now is 242.1 secs Computing kpt #: 107 total cpu time spent up to now is 244.6 secs Computing kpt #: 108 total cpu time spent up to now is 248.2 secs Computing kpt #: 109 total cpu time spent up to now is 251.8 secs Computing kpt #: 110 total cpu time spent up to now is 255.0 secs Computing kpt #: 111 total cpu time spent up to now is 258.1 secs Computing kpt #: 112 total cpu time spent up to now is 261.6 secs Computing kpt #: 113 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 265.4 secs Computing kpt #: 114 total cpu time spent up to now is 267.6 secs Computing kpt #: 115 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 271.2 secs Computing kpt #: 116 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 274.5 secs Computing kpt #: 117 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 277.9 secs Computing kpt #: 118 total cpu time spent up to now is 281.3 secs Computing kpt #: 119 total cpu time spent up to now is 283.6 secs Computing kpt #: 120 total cpu time spent up to now is 285.9 secs Computing kpt #: 121 total cpu time spent up to now is 288.7 secs Computing kpt #: 122 total cpu time spent up to now is 291.4 secs Computing kpt #: 123 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 294.9 secs Computing kpt #: 124 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 298.5 secs Computing kpt #: 125 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 302.1 secs Computing kpt #: 126 total cpu time spent up to now is 304.7 secs Computing kpt #: 127 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 308.2 secs Computing kpt #: 128 total cpu time spent up to now is 310.7 secs Computing kpt #: 129 total cpu time spent up to now is 313.2 secs Computing kpt #: 130 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 316.8 secs Computing kpt #: 131 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 320.3 secs Computing kpt #: 132 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 323.9 secs Computing kpt #: 133 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 327.4 secs Computing kpt #: 134 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 331.0 secs Computing kpt #: 135 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 334.7 secs Computing kpt #: 136 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 338.3 secs Computing kpt #: 137 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 342.0 secs Computing kpt #: 138 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 345.6 secs Computing kpt #: 139 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 349.2 secs Computing kpt #: 140 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 352.8 secs Computing kpt #: 141 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 356.4 secs Computing kpt #: 142 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 360.3 secs Computing kpt #: 143 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 363.9 secs Computing kpt #: 144 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 367.6 secs Computing kpt #: 145 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 371.1 secs Computing kpt #: 146 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 374.8 secs Computing kpt #: 147 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 378.4 secs Computing kpt #: 148 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 381.9 secs Computing kpt #: 149 total cpu time spent up to now is 384.1 secs Computing kpt #: 150 total cpu time spent up to now is 386.2 secs Computing kpt #: 151 total cpu time spent up to now is 388.3 secs Computing kpt #: 152 total cpu time spent up to now is 390.7 secs Computing kpt #: 153 total cpu time spent up to now is 392.8 secs Computing kpt #: 154 total cpu time spent up to now is 394.9 secs Computing kpt #: 155 total cpu time spent up to now is 397.0 secs Computing kpt #: 156 total cpu time spent up to now is 399.1 secs Computing kpt #: 157 total cpu time spent up to now is 401.2 secs Computing kpt #: 158 total cpu time spent up to now is 403.3 secs Computing kpt #: 159 total cpu time spent up to now is 405.2 secs Computing kpt #: 160 total cpu time spent up to now is 407.1 secs Computing kpt #: 161 total cpu time spent up to now is 409.1 secs Computing kpt #: 162 total cpu time spent up to now is 411.0 secs Computing kpt #: 163 total cpu time spent up to now is 412.9 secs Computing kpt #: 164 total cpu time spent up to now is 414.8 secs Computing kpt #: 165 total cpu time spent up to now is 416.6 secs Computing kpt #: 166 total cpu time spent up to now is 418.5 secs Computing kpt #: 167 total cpu time spent up to now is 420.3 secs Computing kpt #: 168 total cpu time spent up to now is 422.1 secs Computing kpt #: 169 total cpu time spent up to now is 423.9 secs Computing kpt #: 170 total cpu time spent up to now is 425.8 secs Computing kpt #: 171 total cpu time spent up to now is 427.6 secs Computing kpt #: 172 total cpu time spent up to now is 429.5 secs Computing kpt #: 173 total cpu time spent up to now is 431.3 secs Computing kpt #: 174 total cpu time spent up to now is 433.2 secs Computing kpt #: 175 total cpu time spent up to now is 435.1 secs Computing kpt #: 176 total cpu time spent up to now is 436.9 secs Computing kpt #: 177 total cpu time spent up to now is 438.8 secs Computing kpt #: 178 total cpu time spent up to now is 440.6 secs Computing kpt #: 179 total cpu time spent up to now is 442.5 secs Computing kpt #: 180 total cpu time spent up to now is 444.3 secs Computing kpt #: 181 total cpu time spent up to now is 446.2 secs Computing kpt #: 182 total cpu time spent up to now is 448.1 secs Computing kpt #: 183 total cpu time spent up to now is 450.0 secs Computing kpt #: 184 total cpu time spent up to now is 452.0 secs Computing kpt #: 185 total cpu time spent up to now is 453.8 secs Computing kpt #: 186 total cpu time spent up to now is 455.6 secs Computing kpt #: 187 total cpu time spent up to now is 457.2 secs Computing kpt #: 188 total cpu time spent up to now is 458.7 secs Computing kpt #: 189 total cpu time spent up to now is 460.2 secs Computing kpt #: 190 total cpu time spent up to now is 461.7 secs Computing kpt #: 191 total cpu time spent up to now is 463.1 secs Computing kpt #: 192 total cpu time spent up to now is 464.7 secs Computing kpt #: 193 total cpu time spent up to now is 466.2 secs Computing kpt #: 194 total cpu time spent up to now is 467.7 secs Computing kpt #: 195 total cpu time spent up to now is 469.3 secs Computing kpt #: 196 total cpu time spent up to now is 471.0 secs Computing kpt #: 197 total cpu time spent up to now is 472.8 secs Computing kpt #: 198 total cpu time spent up to now is 474.6 secs Computing kpt #: 199 total cpu time spent up to now is 476.5 secs Computing kpt #: 200 total cpu time spent up to now is 478.2 secs Computing kpt #: 201 total cpu time spent up to now is 480.0 secs Computing kpt #: 202 total cpu time spent up to now is 481.8 secs Computing kpt #: 203 total cpu time spent up to now is 483.6 secs Computing kpt #: 204 total cpu time spent up to now is 485.5 secs Computing kpt #: 205 total cpu time spent up to now is 487.3 secs Computing kpt #: 206 total cpu time spent up to now is 489.2 secs Computing kpt #: 207 total cpu time spent up to now is 491.1 secs Computing kpt #: 208 total cpu time spent up to now is 493.0 secs Computing kpt #: 209 total cpu time spent up to now is 495.1 secs Computing kpt #: 210 total cpu time spent up to now is 497.1 secs Computing kpt #: 211 total cpu time spent up to now is 499.2 secs Computing kpt #: 212 total cpu time spent up to now is 501.3 secs Computing kpt #: 213 total cpu time spent up to now is 503.5 secs Computing kpt #: 214 total cpu time spent up to now is 505.5 secs Computing kpt #: 215 total cpu time spent up to now is 507.7 secs Computing kpt #: 216 total cpu time spent up to now is 509.8 secs Computing kpt #: 217 total cpu time spent up to now is 511.9 secs Computing kpt #: 218 total cpu time spent up to now is 514.2 secs Computing kpt #: 219 total cpu time spent up to now is 516.3 secs Computing kpt #: 220 total cpu time spent up to now is 518.4 secs Computing kpt #: 221 total cpu time spent up to now is 520.5 secs Computing kpt #: 222 total cpu time spent up to now is 522.6 secs Computing kpt #: 223 total cpu time spent up to now is 524.7 secs Computing kpt #: 224 total cpu time spent up to now is 526.8 secs Computing kpt #: 225 total cpu time spent up to now is 528.9 secs Computing kpt #: 226 total cpu time spent up to now is 530.9 secs Computing kpt #: 227 total cpu time spent up to now is 533.0 secs Computing kpt #: 228 total cpu time spent up to now is 535.2 secs Computing kpt #: 229 total cpu time spent up to now is 537.1 secs Computing kpt #: 230 total cpu time spent up to now is 538.9 secs Computing kpt #: 231 total cpu time spent up to now is 540.8 secs Computing kpt #: 232 total cpu time spent up to now is 542.7 secs Computing kpt #: 233 total cpu time spent up to now is 544.5 secs Computing kpt #: 234 total cpu time spent up to now is 546.3 secs Computing kpt #: 235 total cpu time spent up to now is 548.2 secs Computing kpt #: 236 total cpu time spent up to now is 550.0 secs Computing kpt #: 237 total cpu time spent up to now is 551.9 secs Computing kpt #: 238 total cpu time spent up to now is 553.7 secs Computing kpt #: 239 total cpu time spent up to now is 555.6 secs Computing kpt #: 240 total cpu time spent up to now is 557.4 secs Computing kpt #: 241 total cpu time spent up to now is 559.3 secs Computing kpt #: 242 total cpu time spent up to now is 561.2 secs Computing kpt #: 243 total cpu time spent up to now is 563.1 secs Computing kpt #: 244 total cpu time spent up to now is 565.0 secs Computing kpt #: 245 total cpu time spent up to now is 566.9 secs Computing kpt #: 246 total cpu time spent up to now is 568.8 secs Computing kpt #: 247 total cpu time spent up to now is 570.7 secs Computing kpt #: 248 total cpu time spent up to now is 572.6 secs Computing kpt #: 249 total cpu time spent up to now is 574.7 secs Computing kpt #: 250 total cpu time spent up to now is 576.6 secs Computing kpt #: 251 total cpu time spent up to now is 578.7 secs Computing kpt #: 252 total cpu time spent up to now is 580.8 secs Computing kpt #: 253 total cpu time spent up to now is 582.8 secs Computing kpt #: 254 total cpu time spent up to now is 585.0 secs Computing kpt #: 255 total cpu time spent up to now is 587.1 secs Computing kpt #: 256 total cpu time spent up to now is 589.4 secs Computing kpt #: 257 total cpu time spent up to now is 591.5 secs Computing kpt #: 258 total cpu time spent up to now is 593.8 secs ethr = 2.00E-08, avg # of iterations = 56.4 total cpu time spent up to now is 593.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 17153 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3746 -31.3746 -31.3746 -31.3746 -15.4453 -15.4453 -13.5383 -13.5383 -13.1186 -13.1186 -12.9838 -12.9838 -12.9834 -12.9834 -4.1967 -4.1967 -2.7763 -2.7763 -2.7763 -2.7763 -0.7899 -0.7899 -0.7898 -0.7898 -0.6554 -0.6554 -0.6552 -0.6552 -0.6513 -0.6513 0.1919 0.1919 1.0685 1.0685 1.2324 1.2324 1.2324 1.2324 2.3879 2.3879 2.4052 2.4052 2.4054 2.4054 7.2349 7.2349 7.2349 7.2349 7.2408 7.2408 9.4398 9.4399 9.4901 9.4901 k = 0.0132-0.0076 0.0107 ( 17113 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3746 -31.3746 -31.3746 -31.3746 -15.4452 -15.4452 -13.5382 -13.5382 -13.1186 -13.1186 -12.9838 -12.9838 -12.9835 -12.9835 -4.1968 -4.1968 -2.7765 -2.7765 -2.7764 -2.7764 -0.7928 -0.7927 -0.7871 -0.7870 -0.6589 -0.6588 -0.6537 -0.6537 -0.6507 -0.6506 0.1934 0.1934 1.0692 1.0692 1.2323 1.2323 1.2335 1.2335 2.3875 2.3875 2.4045 2.4046 2.4051 2.4052 7.2347 7.2347 7.2358 7.2358 7.2437 7.2437 9.4390 9.4392 9.4891 9.4893 k = 0.0263-0.0152 0.0215 ( 17061 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3746 -31.3746 -31.3746 -31.3746 -15.4450 -15.4450 -13.5381 -13.5380 -13.1188 -13.1188 -12.9840 -12.9840 -12.9835 -12.9835 -4.1969 -4.1969 -2.7771 -2.7771 -2.7767 -2.7767 -0.7961 -0.7961 -0.7843 -0.7842 -0.6634 -0.6633 -0.6549 -0.6549 -0.6489 -0.6488 0.1978 0.1978 1.0712 1.0712 1.2322 1.2322 1.2369 1.2369 2.3860 2.3860 2.4025 2.4026 2.4043 2.4044 7.2340 7.2340 7.2381 7.2381 7.2525 7.2525 9.4364 9.4366 9.4860 9.4862 k = 0.0395-0.0228 0.0322 ( 17057 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3746 -31.3746 -31.3746 -31.3746 -15.4447 -15.4447 -13.5378 -13.5378 -13.1190 -13.1190 -12.9845 -12.9845 -12.9835 -12.9835 -4.1971 -4.1971 -2.7780 -2.7780 -2.7771 -2.7771 -0.8001 -0.8000 -0.7813 -0.7813 -0.6687 -0.6686 -0.6574 -0.6574 -0.6471 -0.6470 0.2050 0.2050 1.0743 1.0743 1.2323 1.2323 1.2425 1.2425 2.3833 2.3833 2.3995 2.3995 2.4030 2.4031 7.2327 7.2327 7.2420 7.2420 7.2673 7.2673 9.4321 9.4321 9.4808 9.4808 k = 0.0526-0.0304 0.0430 ( 17049 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3746 -31.3746 -31.3746 -31.3746 -15.4443 -15.4443 -13.5374 -13.5374 -13.1193 -13.1193 -12.9851 -12.9851 -12.9835 -12.9835 -4.1974 -4.1974 -2.7794 -2.7794 -2.7778 -2.7778 -0.8050 -0.8050 -0.7781 -0.7781 -0.6747 -0.6746 -0.6609 -0.6609 -0.6456 -0.6455 0.2149 0.2149 1.0784 1.0784 1.2328 1.2328 1.2503 1.2503 2.3793 2.3793 2.3956 2.3956 2.4012 2.4012 7.2307 7.2307 7.2475 7.2475 7.2879 7.2879 9.4261 9.4261 9.4737 9.4737 k = 0.0658-0.0380 0.0537 ( 17069 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3746 -31.3746 -31.3746 -31.3746 -15.4438 -15.4438 -13.5368 -13.5368 -13.1197 -13.1197 -12.9860 -12.9860 -12.9834 -12.9834 -4.1978 -4.1978 -2.7810 -2.7810 -2.7787 -2.7787 -0.8112 -0.8111 -0.7745 -0.7745 -0.6811 -0.6810 -0.6654 -0.6654 -0.6442 -0.6441 0.2272 0.2272 1.0830 1.0830 1.2341 1.2341 1.2602 1.2602 2.3736 2.3736 2.3912 2.3912 2.3988 2.3988 7.2282 7.2282 7.2545 7.2545 7.3142 7.3142 9.4182 9.4182 9.4649 9.4656 k = 0.0789-0.0456 0.0645 ( 17069 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3746 -31.3746 -31.3746 -31.3746 -15.4432 -15.4432 -13.5362 -13.5362 -13.1202 -13.1202 -12.9870 -12.9870 -12.9834 -12.9834 -4.1982 -4.1982 -2.7830 -2.7830 -2.7797 -2.7797 -0.8188 -0.8187 -0.7706 -0.7706 -0.6880 -0.6879 -0.6707 -0.6707 -0.6425 -0.6425 0.2417 0.2417 1.0877 1.0877 1.2367 1.2367 1.2721 1.2721 2.3660 2.3660 2.3866 2.3866 2.3959 2.3959 7.2251 7.2251 7.2629 7.2629 7.3460 7.3460 9.4085 9.4085 9.4542 9.4546 k = 0.0921-0.0532 0.0752 ( 17093 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3746 -31.3746 -31.3746 -31.3746 -15.4424 -15.4424 -13.5354 -13.5354 -13.1208 -13.1207 -12.9882 -12.9882 -12.9833 -12.9833 -4.1987 -4.1987 -2.7854 -2.7853 -2.7809 -2.7809 -0.8279 -0.8279 -0.7663 -0.7662 -0.6952 -0.6951 -0.6768 -0.6768 -0.6406 -0.6405 0.2581 0.2581 1.0920 1.0920 1.2412 1.2412 1.2859 1.2859 2.3565 2.3565 2.3818 2.3818 2.3924 2.3925 7.2216 7.2216 7.2728 7.2728 7.3831 7.3831 9.3966 9.3966 9.4421 9.4421 k = 0.1053-0.0608 0.0859 ( 17093 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3746 -31.3746 -31.3746 -31.3746 -15.4416 -15.4416 -13.5344 -13.5344 -13.1215 -13.1214 -12.9896 -12.9896 -12.9832 -12.9832 -4.1994 -4.1994 -2.7880 -2.7880 -2.7824 -2.7824 -0.8386 -0.8386 -0.7615 -0.7615 -0.7027 -0.7026 -0.6834 -0.6834 -0.6382 -0.6381 0.2762 0.2762 1.0955 1.0955 1.2481 1.2481 1.3015 1.3015 2.3453 2.3454 2.3766 2.3766 2.3885 2.3885 7.2176 7.2176 7.2839 7.2839 7.4252 7.4252 9.3824 9.3825 9.4291 9.4294 k = 0.1184-0.0684 0.0967 ( 17093 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3746 -31.3746 -31.3746 -31.3746 -15.4407 -15.4407 -13.5334 -13.5334 -13.1223 -13.1222 -12.9911 -12.9911 -12.9831 -12.9831 -4.2000 -4.2000 -2.7908 -2.7908 -2.7839 -2.7839 -0.8507 -0.8507 -0.7564 -0.7564 -0.7105 -0.7105 -0.6905 -0.6904 -0.6353 -0.6353 0.2957 0.2957 1.0979 1.0980 1.2577 1.2577 1.3187 1.3187 2.3327 2.3327 2.3711 2.3712 2.3840 2.3840 7.2131 7.2131 7.2962 7.2962 7.4720 7.4720 9.3658 9.3658 9.4153 9.4153 k = 0.1316-0.0760 0.1074 ( 17093 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3746 -31.3746 -31.3746 -31.3746 -15.4397 -15.4397 -13.5321 -13.5321 -13.1232 -13.1232 -12.9928 -12.9928 -12.9830 -12.9830 -4.2008 -4.2008 -2.7940 -2.7940 -2.7857 -2.7857 -0.8639 -0.8639 -0.7512 -0.7512 -0.7187 -0.7186 -0.6977 -0.6977 -0.6322 -0.6321 0.3164 0.3164 1.0993 1.0993 1.2701 1.2701 1.3376 1.3376 2.3186 2.3186 2.3652 2.3652 2.3789 2.3790 7.2083 7.2083 7.3097 7.3097 7.5233 7.5233 9.3466 9.3466 9.4013 9.4015 k = 0.1447-0.0836 0.1182 ( 17093 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3746 -31.3746 -31.3746 -31.3746 -15.4386 -15.4386 -13.5307 -13.5307 -13.1242 -13.1242 -12.9946 -12.9945 -12.9829 -12.9829 -4.2016 -4.2016 -2.7973 -2.7973 -2.7876 -2.7876 -0.8780 -0.8780 -0.7461 -0.7461 -0.7271 -0.7271 -0.7047 -0.7046 -0.6288 -0.6288 0.3379 0.3379 1.0997 1.0997 1.2853 1.2853 1.3578 1.3578 2.3033 2.3033 2.3588 2.3589 2.3734 2.3734 7.2031 7.2031 7.3242 7.3242 7.5785 7.5785 9.3250 9.3250 9.3871 9.3872 k = 0.1579-0.0912 0.1289 ( 17117 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3746 -31.3746 -31.3746 -31.3746 -15.4375 -15.4375 -13.5292 -13.5291 -13.1254 -13.1254 -12.9965 -12.9965 -12.9828 -12.9828 -4.2025 -4.2025 -2.8008 -2.8008 -2.7897 -2.7897 -0.8927 -0.8927 -0.7424 -0.7424 -0.7355 -0.7354 -0.7104 -0.7104 -0.6255 -0.6255 0.3602 0.3602 1.0996 1.0996 1.3029 1.3030 1.3793 1.3793 2.2870 2.2870 2.3520 2.3520 2.3673 2.3673 7.1976 7.1976 7.3396 7.3396 7.6374 7.6374 9.3012 9.3012 9.3728 9.3729 k = 0.1711-0.0988 0.1397 ( 17101 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3746 -31.3746 -31.3746 -31.3746 -15.4363 -15.4363 -13.5274 -13.5274 -13.1267 -13.1267 -12.9985 -12.9985 -12.9827 -12.9827 -4.2034 -4.2034 -2.8045 -2.8045 -2.7919 -2.7919 -0.9077 -0.9077 -0.7459 -0.7459 -0.7399 -0.7398 -0.7129 -0.7129 -0.6226 -0.6226 0.3829 0.3829 1.0992 1.0993 1.3228 1.3228 1.4019 1.4019 2.2696 2.2697 2.3446 2.3446 2.3608 2.3608 7.1919 7.1919 7.3558 7.3558 7.6994 7.6994 9.2756 9.2756 9.3585 9.3587 k = 0.1842-0.1064 0.1504 ( 17101 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3746 -31.3746 -31.3746 -31.3746 -15.4351 -15.4351 -13.5255 -13.5255 -13.1282 -13.1282 -13.0006 -13.0006 -12.9825 -12.9825 -4.2044 -4.2044 -2.8083 -2.8083 -2.7943 -2.7943 -0.9228 -0.9228 -0.7548 -0.7548 -0.7435 -0.7435 -0.7106 -0.7106 -0.6201 -0.6201 0.4058 0.4058 1.0992 1.0992 1.3444 1.3445 1.4255 1.4255 2.2515 2.2515 2.3367 2.3367 2.3537 2.3537 7.1859 7.1859 7.3726 7.3726 7.7641 7.7641 9.2487 9.2487 9.3441 9.3443 k = 0.1974-0.1140 0.1612 ( 17117 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3746 -31.3746 -31.3746 -31.3746 -15.4338 -15.4338 -13.5234 -13.5234 -13.1298 -13.1298 -13.0028 -13.0028 -12.9824 -12.9824 -4.2055 -4.2055 -2.8122 -2.8122 -2.7967 -2.7967 -0.9377 -0.9377 -0.7640 -0.7640 -0.7499 -0.7498 -0.7050 -0.7050 -0.6185 -0.6184 0.4289 0.4289 1.0996 1.0996 1.3676 1.3676 1.4500 1.4500 2.2327 2.2327 2.3284 2.3284 2.3461 2.3461 7.1797 7.1797 7.3901 7.3901 7.8309 7.8309 9.2210 9.2210 9.3298 9.3303 k = 0.2105-0.1215 0.1719 ( 17117 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3746 -31.3746 -31.3746 -31.3746 -15.4325 -15.4325 -13.5211 -13.5211 -13.1316 -13.1316 -13.0050 -13.0050 -12.9822 -12.9822 -4.2066 -4.2066 -2.8162 -2.8162 -2.7993 -2.7993 -0.9523 -0.9523 -0.7734 -0.7734 -0.7573 -0.7573 -0.6977 -0.6977 -0.6177 -0.6177 0.4519 0.4519 1.1009 1.1009 1.3921 1.3921 1.4752 1.4752 2.2132 2.2133 2.3195 2.3195 2.3380 2.3380 7.1734 7.1734 7.4080 7.4080 7.8992 7.8992 9.1929 9.1929 9.3155 9.3155 k = 0.2237-0.1291 0.1826 ( 17125 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3746 -31.3746 -31.3746 -31.3746 -15.4313 -15.4313 -13.5186 -13.5186 -13.1336 -13.1335 -13.0073 -13.0073 -12.9821 -12.9821 -4.2077 -4.2077 -2.8202 -2.8202 -2.8020 -2.8020 -0.9663 -0.9663 -0.7828 -0.7827 -0.7652 -0.7652 -0.6896 -0.6895 -0.6182 -0.6182 0.4747 0.4747 1.1032 1.1033 1.4175 1.4175 1.5010 1.5010 2.1934 2.1934 2.3102 2.3102 2.3294 2.3294 7.1670 7.1670 7.4262 7.4262 7.9682 7.9682 9.1650 9.1650 9.3014 9.3021 k = 0.2368-0.1367 0.1934 ( 17125 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3746 -31.3746 -15.4300 -15.4300 -13.5160 -13.5160 -13.1357 -13.1357 -13.0096 -13.0095 -12.9819 -12.9819 -4.2088 -4.2088 -2.8243 -2.8243 -2.8048 -2.8048 -0.9795 -0.9795 -0.7920 -0.7920 -0.7731 -0.7731 -0.6809 -0.6809 -0.6199 -0.6199 0.4971 0.4971 1.1068 1.1068 1.4438 1.4438 1.5273 1.5273 2.1732 2.1733 2.3003 2.3003 2.3203 2.3203 7.1605 7.1605 7.4446 7.4446 8.0373 8.0373 9.1378 9.1378 9.2875 9.2875 k = 0.2500-0.1443 0.2041 ( 17137 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3746 -31.3746 -15.4287 -15.4287 -13.5131 -13.5131 -13.1380 -13.1380 -13.0118 -13.0118 -12.9818 -12.9818 -4.2100 -4.2100 -2.8284 -2.8284 -2.8076 -2.8076 -0.9920 -0.9920 -0.8011 -0.8011 -0.7809 -0.7809 -0.6719 -0.6719 -0.6230 -0.6230 0.5191 0.5191 1.1116 1.1117 1.4707 1.4707 1.5539 1.5539 2.1529 2.1529 2.2900 2.2900 2.3107 2.3107 7.1540 7.1540 7.4630 7.4630 8.1054 8.1054 9.1119 9.1119 9.2738 9.2738 k = 0.2632-0.1519 0.2149 ( 17109 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3746 -31.3746 -15.4274 -15.4274 -13.5102 -13.5102 -13.1405 -13.1404 -13.0141 -13.0140 -12.9816 -12.9816 -4.2112 -4.2112 -2.8324 -2.8324 -2.8104 -2.8104 -1.0034 -1.0034 -0.8100 -0.8100 -0.7885 -0.7885 -0.6628 -0.6628 -0.6275 -0.6275 0.5405 0.5405 1.1178 1.1178 1.4980 1.4981 1.5807 1.5807 2.1326 2.1326 2.2792 2.2792 2.3006 2.3006 7.1474 7.1474 7.4814 7.4814 8.1719 8.1719 9.0879 9.0879 9.2604 9.2604 k = 0.2763-0.1595 0.2256 ( 17125 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3746 -31.3746 -15.4262 -15.4262 -13.5070 -13.5070 -13.1431 -13.1431 -13.0162 -13.0162 -12.9815 -12.9815 -4.2124 -4.2124 -2.8365 -2.8365 -2.8133 -2.8133 -1.0139 -1.0139 -0.8185 -0.8185 -0.7957 -0.7957 -0.6535 -0.6535 -0.6334 -0.6334 0.5612 0.5612 1.1252 1.1253 1.5257 1.5257 1.6077 1.6077 2.1124 2.1124 2.2680 2.2680 2.2901 2.2901 7.1409 7.1409 7.4996 7.4996 8.2355 8.2355 9.0664 9.0664 9.2474 9.2474 k = 0.2895-0.1671 0.2364 ( 17133 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3746 -31.3746 -15.4250 -15.4250 -13.5038 -13.5038 -13.1459 -13.1459 -13.0184 -13.0183 -12.9813 -12.9813 -4.2136 -4.2136 -2.8404 -2.8404 -2.8162 -2.8162 -1.0232 -1.0232 -0.8267 -0.8267 -0.8027 -0.8027 -0.6447 -0.6447 -0.6404 -0.6403 0.5812 0.5812 1.1339 1.1339 1.5535 1.5535 1.6346 1.6346 2.0924 2.0924 2.2563 2.2563 2.2791 2.2791 7.1345 7.1345 7.5174 7.5174 8.2953 8.2953 9.0480 9.0480 9.2349 9.2349 k = 0.3026-0.1747 0.2471 ( 17125 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3746 -31.3746 -15.4238 -15.4238 -13.5004 -13.5004 -13.1488 -13.1488 -13.0204 -13.0203 -12.9812 -12.9812 -4.2148 -4.2148 -2.8443 -2.8443 -2.8190 -2.8190 -1.0313 -1.0313 -0.8345 -0.8345 -0.8092 -0.8092 -0.6498 -0.6498 -0.6347 -0.6347 0.6004 0.6004 1.1436 1.1436 1.5814 1.5814 1.6615 1.6615 2.0728 2.0728 2.2441 2.2441 2.2676 2.2676 7.1281 7.1281 7.5349 7.5349 8.3501 8.3501 9.0332 9.0332 9.2228 9.2228 k = 0.3158-0.1823 0.2578 ( 17138 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3746 -31.3746 -15.4227 -15.4227 -13.4969 -13.4969 -13.1519 -13.1518 -13.0223 -13.0223 -12.9810 -12.9810 -4.2159 -4.2159 -2.8480 -2.8480 -2.8218 -2.8218 -1.0382 -1.0382 -0.8418 -0.8418 -0.8154 -0.8154 -0.6598 -0.6597 -0.6257 -0.6257 0.6186 0.6186 1.1542 1.1542 1.6091 1.6091 1.6882 1.6883 2.0537 2.0537 2.2315 2.2315 2.2556 2.2556 7.1219 7.1219 7.5518 7.5518 8.3990 8.3990 9.0226 9.0226 9.2113 9.2113 k = 0.3289-0.1899 0.2686 ( 17130 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3746 -31.3746 -15.4216 -15.4216 -13.4934 -13.4934 -13.1550 -13.1550 -13.0241 -13.0241 -12.9809 -12.9809 -4.2171 -4.2171 -2.8516 -2.8516 -2.8246 -2.8246 -1.0439 -1.0439 -0.8486 -0.8485 -0.8212 -0.8212 -0.6708 -0.6708 -0.6168 -0.6168 0.6359 0.6359 1.1656 1.1656 1.6367 1.6367 1.7147 1.7147 2.0352 2.0352 2.2185 2.2185 2.2431 2.2432 7.1159 7.1159 7.5680 7.5680 8.4411 8.4411 9.0165 9.0165 9.2005 9.2011 k = 0.3421-0.1975 0.2793 ( 17142 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3746 -31.3746 -15.4206 -15.4206 -13.4899 -13.4899 -13.1582 -13.1582 -13.0258 -13.0258 -12.9808 -12.9808 -4.2182 -4.2182 -2.8551 -2.8551 -2.8272 -2.8272 -1.0484 -1.0484 -0.8548 -0.8548 -0.8266 -0.8266 -0.6828 -0.6828 -0.6082 -0.6082 0.6522 0.6522 1.1774 1.1774 1.6640 1.6640 1.7409 1.7409 2.0175 2.0176 2.2051 2.2051 2.2303 2.2303 7.1100 7.1100 7.5835 7.5835 8.4760 8.4760 9.0149 9.0149 9.1903 9.1903 k = 0.3553-0.2051 0.2901 ( 17162 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3746 -31.3746 -15.4196 -15.4196 -13.4863 -13.4863 -13.1615 -13.1614 -13.0274 -13.0274 -12.9806 -12.9806 -4.2192 -4.2192 -2.8584 -2.8584 -2.8297 -2.8297 -1.0517 -1.0517 -0.8604 -0.8604 -0.8316 -0.8316 -0.6956 -0.6955 -0.5999 -0.5999 0.6674 0.6674 1.1894 1.1894 1.6908 1.6908 1.7666 1.7666 2.0008 2.0008 2.1913 2.1913 2.2169 2.2169 7.1044 7.1044 7.5982 7.5982 8.5039 8.5039 9.0174 9.0174 9.1807 9.1807 k = 0.3684-0.2127 0.3008 ( 17158 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4188 -15.4188 -13.4829 -13.4829 -13.1647 -13.1647 -13.0288 -13.0288 -12.9805 -12.9805 -4.2202 -4.2202 -2.8614 -2.8614 -2.8321 -2.8321 -1.0539 -1.0539 -0.8654 -0.8654 -0.8362 -0.8362 -0.7089 -0.7088 -0.5921 -0.5921 0.6815 0.6815 1.2015 1.2015 1.7171 1.7171 1.7919 1.7919 1.9850 1.9850 2.1771 2.1771 2.2032 2.2032 7.0991 7.0991 7.6119 7.6119 8.5251 8.5251 9.0231 9.0231 9.1720 9.1720 k = 0.3816-0.2203 0.3116 ( 17170 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4180 -15.4180 -13.4795 -13.4795 -13.1678 -13.1678 -13.0301 -13.0301 -12.9804 -12.9804 -4.2212 -4.2212 -2.8643 -2.8643 -2.8344 -2.8344 -1.0550 -1.0550 -0.8697 -0.8696 -0.8405 -0.8405 -0.7224 -0.7224 -0.5847 -0.5847 0.6943 0.6943 1.2133 1.2133 1.7428 1.7428 1.8165 1.8165 1.9704 1.9704 2.1626 2.1627 2.1890 2.1890 7.0941 7.0941 7.6245 7.6245 8.5406 8.5406 9.0310 9.0310 9.1639 9.1639 k = 0.3947-0.2279 0.3223 ( 17174 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4172 -15.4172 -13.4763 -13.4763 -13.1709 -13.1708 -13.0313 -13.0313 -12.9803 -12.9803 -4.2220 -4.2220 -2.8669 -2.8669 -2.8364 -2.8364 -1.0552 -1.0552 -0.8732 -0.8732 -0.8444 -0.8444 -0.7360 -0.7360 -0.5780 -0.5780 0.7060 0.7060 1.2245 1.2246 1.7678 1.7678 1.8406 1.8406 1.9571 1.9571 2.1479 2.1479 2.1744 2.1744 7.0895 7.0895 7.6361 7.6361 8.5516 8.5516 9.0400 9.0400 9.1567 9.1567 k = 0.4079-0.2355 0.3330 ( 17166 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4166 -15.4166 -13.4733 -13.4733 -13.1737 -13.1737 -13.0323 -13.0323 -12.9802 -12.9802 -4.2228 -4.2228 -2.8693 -2.8693 -2.8383 -2.8383 -1.0547 -1.0547 -0.8759 -0.8759 -0.8480 -0.8480 -0.7493 -0.7493 -0.5718 -0.5718 0.7164 0.7164 1.2351 1.2351 1.7918 1.7918 1.8638 1.8638 1.9452 1.9452 2.1330 2.1331 2.1596 2.1596 7.0853 7.0853 7.6464 7.6464 8.5591 8.5591 9.0490 9.0490 9.1503 9.1503 k = 0.4211-0.2431 0.3438 ( 17198 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4160 -15.4160 -13.4706 -13.4706 -13.1763 -13.1763 -13.0332 -13.0332 -12.9801 -12.9801 -4.2235 -4.2235 -2.8714 -2.8714 -2.8400 -2.8400 -1.0535 -1.0535 -0.8778 -0.8778 -0.8514 -0.8514 -0.7620 -0.7620 -0.5664 -0.5664 0.7255 0.7255 1.2447 1.2447 1.8147 1.8147 1.8859 1.8859 1.9349 1.9350 2.1182 2.1182 2.1444 2.1444 7.0816 7.0816 7.6555 7.6555 8.5641 8.5641 9.0572 9.0572 9.1448 9.1448 k = 0.4342-0.2507 0.3545 ( 17174 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4155 -15.4155 -13.4682 -13.4682 -13.1787 -13.1786 -13.0339 -13.0339 -12.9801 -12.9801 -4.2241 -4.2241 -2.8732 -2.8732 -2.8414 -2.8414 -1.0520 -1.0520 -0.8789 -0.8788 -0.8546 -0.8546 -0.7738 -0.7738 -0.5617 -0.5617 0.7332 0.7332 1.2532 1.2532 1.8363 1.8363 1.9057 1.9058 1.9276 1.9276 2.1035 2.1036 2.1291 2.1291 7.0783 7.0783 7.6633 7.6633 8.5675 8.5675 9.0642 9.0642 9.1400 9.1400 k = 0.4474-0.2583 0.3653 ( 17146 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4151 -15.4151 -13.4661 -13.4661 -13.1807 -13.1806 -13.0345 -13.0345 -12.9800 -12.9800 -4.2246 -4.2246 -2.8747 -2.8747 -2.8426 -2.8426 -1.0503 -1.0503 -0.8790 -0.8789 -0.8578 -0.8578 -0.7842 -0.7842 -0.5578 -0.5578 0.7396 0.7396 1.2604 1.2604 1.8560 1.8560 1.9134 1.9134 1.9327 1.9328 2.0895 2.0895 2.1139 2.1139 7.0756 7.0756 7.6698 7.6698 8.5696 8.5696 9.0697 9.0697 9.1361 9.1361 k = 0.4605-0.2659 0.3760 ( 17158 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4148 -15.4148 -13.4645 -13.4645 -13.1823 -13.1822 -13.0350 -13.0350 -12.9800 -12.9800 -4.2250 -4.2250 -2.8758 -2.8758 -2.8435 -2.8435 -1.0486 -1.0486 -0.8782 -0.8782 -0.8609 -0.8609 -0.7929 -0.7929 -0.5547 -0.5547 0.7446 0.7446 1.2662 1.2662 1.8732 1.8732 1.9095 1.9095 1.9494 1.9494 2.0767 2.0768 2.0993 2.0993 7.0734 7.0734 7.6748 7.6748 8.5710 8.5710 9.0737 9.0737 9.1331 9.1331 k = 0.4737-0.2735 0.3868 ( 17166 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4146 -15.4146 -13.4633 -13.4632 -13.1834 -13.1834 -13.0353 -13.0353 -12.9799 -12.9799 -4.2253 -4.2253 -2.8767 -2.8767 -2.8442 -2.8442 -1.0472 -1.0472 -0.8766 -0.8766 -0.8641 -0.8641 -0.7995 -0.7994 -0.5524 -0.5524 0.7481 0.7481 1.2704 1.2704 1.8871 1.8871 1.9056 1.9056 1.9650 1.9650 2.0661 2.0661 2.0861 2.0861 7.0719 7.0719 7.6785 7.6785 8.5718 8.5718 9.0763 9.0763 9.1309 9.1309 k = 0.4868-0.2811 0.3975 ( 17150 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4145 -15.4145 -13.4625 -13.4625 -13.1842 -13.1841 -13.0355 -13.0355 -12.9799 -12.9799 -4.2255 -4.2255 -2.8772 -2.8772 -2.8446 -2.8446 -1.0463 -1.0463 -0.8744 -0.8743 -0.8673 -0.8673 -0.8035 -0.8035 -0.5511 -0.5511 0.7503 0.7503 1.2729 1.2729 1.8964 1.8964 1.9031 1.9032 1.9764 1.9764 2.0589 2.0589 2.0762 2.0762 7.0709 7.0709 7.6806 7.6806 8.5723 8.5723 9.0778 9.0778 9.1295 9.1295 k = 0.5000-0.2887 0.4082 ( 17118 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4144 -15.4144 -13.4623 -13.4623 -13.1844 -13.1844 -13.0356 -13.0356 -12.9799 -12.9799 -4.2255 -4.2255 -2.8774 -2.8774 -2.8447 -2.8447 -1.0460 -1.0460 -0.8727 -0.8727 -0.8693 -0.8693 -0.8049 -0.8049 -0.5506 -0.5506 0.7510 0.7510 1.2738 1.2738 1.8998 1.8998 1.9022 1.9022 1.9808 1.9808 2.0563 2.0563 2.0723 2.0723 7.0706 7.0706 7.6814 7.6814 8.5724 8.5724 9.0783 9.0783 9.1291 9.1291 k = 0.5000-0.2887 0.4082 ( 17118 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4144 -15.4144 -13.4623 -13.4623 -13.1844 -13.1844 -13.0356 -13.0356 -12.9799 -12.9799 -4.2255 -4.2255 -2.8774 -2.8774 -2.8447 -2.8447 -1.0460 -1.0460 -0.8727 -0.8727 -0.8693 -0.8693 -0.8049 -0.8049 -0.5506 -0.5506 0.7510 0.7510 1.2738 1.2738 1.8998 1.8998 1.9022 1.9022 1.9808 1.9808 2.0563 2.0563 2.0723 2.0723 7.0706 7.0706 7.6814 7.6814 8.5724 8.5724 9.0783 9.0783 9.1291 9.1291 k = 0.5000-0.2735 0.4190 ( 17138 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4144 -15.4144 -13.4623 -13.4623 -13.1873 -13.1813 -13.0388 -13.0325 -12.9799 -12.9799 -4.2271 -4.2239 -2.8799 -2.8750 -2.8447 -2.8445 -1.0485 -1.0434 -0.8887 -0.8796 -0.8669 -0.8567 -0.8134 -0.7885 -0.5504 -0.5498 0.7501 0.7506 1.2738 1.2753 1.8862 1.8892 1.9100 1.9138 1.9793 1.9850 2.0565 2.0565 2.0719 2.0725 7.0698 7.0731 7.6802 7.6815 8.5705 8.5722 9.0788 9.0804 9.1285 9.1308 k = 0.5000-0.2583 0.4297 ( 17158 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4144 -15.4144 -13.4625 -13.4625 -13.1902 -13.1781 -13.0420 -13.0296 -12.9798 -12.9798 -4.2286 -4.2224 -2.8826 -2.8728 -2.8442 -2.8441 -1.0509 -1.0409 -0.9090 -0.8903 -0.8630 -0.8561 -0.8062 -0.7693 -0.5492 -0.5479 0.7480 0.7490 1.2755 1.2783 1.8698 1.8754 1.9163 1.9231 1.9809 1.9914 2.0570 2.0571 2.0714 2.0726 7.0707 7.0774 7.6780 7.6805 8.5665 8.5700 9.0818 9.0851 9.1290 9.1337 k = 0.5000-0.2431 0.4405 ( 17150 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4144 -15.4144 -13.4627 -13.4627 -13.1928 -13.1748 -13.0454 -13.0267 -12.9798 -12.9797 -4.2300 -4.2208 -2.8853 -2.8710 -2.8435 -2.8434 -1.0534 -1.0383 -0.9295 -0.9043 -0.8618 -0.8600 -0.7894 -0.7491 -0.5469 -0.5449 0.7446 0.7461 1.2786 1.2829 1.8521 1.8599 1.9199 1.9286 1.9859 1.9994 2.0578 2.0580 2.0707 2.0726 7.0733 7.0833 7.6748 7.6785 8.5607 8.5658 9.0872 9.0923 9.1307 9.1375 k = 0.5000-0.2279 0.4512 ( 17146 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4143 -15.4143 -13.4630 -13.4630 -13.1953 -13.1713 -13.0488 -13.0239 -12.9797 -12.9796 -4.2315 -4.2192 -2.8881 -2.8694 -2.8426 -2.8423 -1.0558 -1.0357 -0.9497 -0.9206 -0.8678 -0.8576 -0.7701 -0.7287 -0.5435 -0.5410 0.7401 0.7421 1.2834 1.2891 1.8335 1.8431 1.9212 1.9304 1.9937 2.0085 2.0590 2.0592 2.0700 2.0726 7.0774 7.0908 7.6707 7.6754 8.5532 8.5597 9.0948 9.1019 9.1334 9.1421 k = 0.5000-0.2127 0.4620 ( 17154 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4142 -15.4142 -13.4634 -13.4634 -13.1977 -13.1677 -13.0524 -13.0212 -12.9796 -12.9794 -4.2328 -4.2177 -2.8908 -2.8681 -2.8416 -2.8409 -1.0583 -1.0332 -0.9692 -0.9377 -0.8734 -0.8557 -0.7505 -0.7086 -0.5391 -0.5361 0.7346 0.7371 1.2896 1.2967 1.8141 1.8251 1.9207 1.9293 2.0030 2.0179 2.0606 2.0608 2.0694 2.0728 7.0830 7.0997 7.6657 7.6713 8.5443 8.5522 9.1043 9.1136 9.1370 9.1475 k = 0.5000-0.1975 0.4727 ( 17148 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4141 -15.4141 -13.4639 -13.4639 -13.1999 -13.1641 -13.0560 -13.0187 -12.9795 -12.9791 -4.2341 -4.2162 -2.8935 -2.8671 -2.8406 -2.8392 -1.0608 -1.0309 -0.9879 -0.9547 -0.8787 -0.8542 -0.7315 -0.6891 -0.5338 -0.5302 0.7282 0.7313 1.2973 1.3057 1.7941 1.8063 1.9187 1.9264 2.0128 2.0272 2.0624 2.0625 2.0691 2.0733 7.0898 7.1098 7.6601 7.6664 8.5343 8.5434 9.1154 9.1271 9.1414 9.1536 k = 0.5000-0.1823 0.4835 ( 17154 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4140 -15.4140 -13.4644 -13.4644 -13.2020 -13.1603 -13.0597 -13.0162 -12.9794 -12.9789 -4.2354 -4.2147 -2.8961 -2.8664 -2.8395 -2.8373 -1.0634 -1.0291 -1.0054 -0.9707 -0.8838 -0.8529 -0.7133 -0.6705 -0.5275 -0.5236 0.7212 0.7247 1.3064 1.3161 1.7735 1.7868 1.9154 1.9221 2.0224 2.0358 2.0644 2.0645 2.0694 2.0742 7.0977 7.1211 7.6538 7.6606 8.5235 8.5337 9.1272 9.1413 9.1463 9.1607 k = 0.5000-0.1671 0.4942 ( 17172 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4139 -15.4139 -13.4650 -13.4650 -13.2039 -13.1564 -13.0635 -13.0139 -12.9793 -12.9786 -4.2365 -4.2133 -2.8985 -2.8657 -2.8383 -2.8353 -1.0665 -1.0281 -1.0214 -0.9849 -0.8888 -0.8520 -0.6962 -0.6531 -0.5205 -0.5162 0.7136 0.7176 1.3168 1.3278 1.7525 1.7666 1.9112 1.9168 2.0312 2.0432 2.0663 2.0666 2.0707 2.0758 7.1064 7.1332 7.6471 7.6541 8.5123 8.5234 9.1389 9.1515 9.1538 9.1706 k = 0.5000-0.1519 0.5049 ( 17166 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4138 -15.4138 -13.4656 -13.4656 -13.2056 -13.1525 -13.0673 -13.0116 -12.9793 -12.9783 -4.2376 -4.2120 -2.9008 -2.8652 -2.8372 -2.8332 -1.0704 -1.0353 -1.0294 -0.9959 -0.8939 -0.8513 -0.6805 -0.6369 -0.5129 -0.5082 0.7058 0.7102 1.3285 1.3408 1.7312 1.7459 1.9062 1.9108 2.0389 2.0487 2.0684 2.0692 2.0732 2.0781 7.1157 7.1458 7.6400 7.6471 8.5010 8.5128 9.1497 9.1567 9.1623 9.1837 k = 0.5000-0.1367 0.5157 ( 17166 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4137 -15.4137 -13.4662 -13.4662 -13.2072 -13.1485 -13.0713 -13.0095 -12.9793 -12.9780 -4.2385 -4.2108 -2.9029 -2.8649 -2.8360 -2.8312 -1.0757 -1.0464 -1.0346 -1.0019 -0.8988 -0.8507 -0.6662 -0.6222 -0.5049 -0.4997 0.6978 0.7027 1.3415 1.3549 1.7095 1.7248 1.9007 1.9044 2.0450 2.0521 2.0711 2.0723 2.0769 2.0808 7.1254 7.1588 7.6328 7.6397 8.4898 8.5023 9.1590 9.1618 9.1683 9.1963 k = 0.5000-0.1215 0.5264 ( 17184 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7726 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4136 -15.4136 -13.4668 -13.4668 -13.2086 -13.1444 -13.0753 -13.0076 -12.9793 -12.9777 -4.2394 -4.2096 -2.9049 -2.8645 -2.8350 -2.8293 -1.0830 -1.0540 -1.0431 -1.0034 -0.9037 -0.8504 -0.6534 -0.6091 -0.4967 -0.4911 0.6900 0.6953 1.3555 1.3701 1.6877 1.7034 1.8949 1.8978 2.0494 2.0538 2.0746 2.0756 2.0814 2.0838 7.1352 7.1718 7.6255 7.6321 8.4791 8.4921 9.1660 9.1677 9.1732 9.2066 k = 0.5000-0.1064 0.5372 ( 17180 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7726 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4135 -15.4135 -13.4674 -13.4674 -13.2099 -13.1402 -13.0794 -13.0058 -12.9794 -12.9774 -4.2402 -4.2086 -2.9067 -2.8643 -2.8339 -2.8275 -1.0917 -1.0588 -1.0526 -1.0024 -0.9085 -0.8501 -0.6421 -0.5975 -0.4886 -0.4826 0.6825 0.6882 1.3706 1.3863 1.6658 1.6818 1.8891 1.8913 2.0522 2.0546 2.0785 2.0787 2.0864 2.0869 7.1447 7.1845 7.6185 7.6244 8.4690 8.4825 9.1702 9.1748 9.1773 9.2153 k = 0.5000-0.0912 0.5479 ( 17172 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7726 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4134 -15.4134 -13.4679 -13.4679 -13.2110 -13.1361 -13.0835 -13.0041 -12.9795 -12.9771 -4.2409 -4.2077 -2.9082 -2.8640 -2.8330 -2.8259 -1.1004 -1.0619 -1.0618 -1.0004 -0.9130 -0.8500 -0.6324 -0.5876 -0.4808 -0.4745 0.6755 0.6816 1.3866 1.4034 1.6439 1.6600 1.8835 1.8851 2.0540 2.0549 2.0815 2.0828 2.0899 2.0913 7.1537 7.1966 7.6118 7.6170 8.4598 8.4737 9.1738 9.1808 9.1811 9.2228 k = 0.5000-0.0760 0.5587 ( 17176 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7726 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4133 -15.4133 -13.4684 -13.4683 -13.2119 -13.1319 -13.0876 -13.0027 -12.9796 -12.9769 -4.2415 -4.2069 -2.9095 -2.8638 -2.8322 -2.8245 -1.1085 -1.0700 -1.0639 -0.9981 -0.9172 -0.8499 -0.6242 -0.5792 -0.4737 -0.4670 0.6693 0.6756 1.4032 1.4212 1.6223 1.6383 1.8784 1.8794 2.0549 2.0550 2.0841 2.0866 2.0927 2.0956 7.1620 7.2076 7.6058 7.6100 8.4518 8.4659 9.1768 9.1837 9.1867 9.2294 k = 0.5000-0.0608 0.5694 ( 17178 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7726 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4133 -15.4133 -13.4688 -13.4687 -13.2127 -13.1277 -13.0917 -13.0015 -12.9797 -12.9767 -4.2420 -4.2062 -2.9106 -2.8637 -2.8315 -2.8233 -1.1154 -1.0770 -1.0653 -0.9958 -0.9210 -0.8498 -0.6175 -0.5724 -0.4675 -0.4605 0.6639 0.6705 1.4204 1.4396 1.6010 1.6167 1.8738 1.8745 2.0549 2.0556 2.0863 2.0900 2.0953 2.0992 7.1692 7.2173 7.6005 7.6038 8.4449 8.4593 9.1793 9.1861 9.1914 9.2350 k = 0.5000-0.0456 0.5801 ( 17188 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7726 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4132 -15.4132 -13.4691 -13.4691 -13.2133 -13.1235 -13.0959 -13.0005 -12.9798 -12.9765 -4.2423 -4.2057 -2.9115 -2.8635 -2.8309 -2.8224 -1.1209 -1.0824 -1.0664 -0.9937 -0.9242 -0.8498 -0.6123 -0.5671 -0.4625 -0.4552 0.6596 0.6664 1.4377 1.4582 1.5806 1.5956 1.8701 1.8705 2.0549 2.0560 2.0880 2.0926 2.0974 2.1022 7.1751 7.2253 7.5961 7.5986 8.4395 8.4540 9.1812 9.1879 9.1952 9.2394 k = 0.5000-0.0304 0.5909 ( 17178 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7726 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4132 -15.4132 -13.4693 -13.4693 -13.2137 -13.1195 -13.0998 -12.9998 -12.9799 -12.9764 -4.2426 -4.2053 -2.9121 -2.8635 -2.8305 -2.8217 -1.1249 -1.0864 -1.0671 -0.9920 -0.9267 -0.8498 -0.6086 -0.5633 -0.4587 -0.4512 0.6564 0.6633 1.4542 1.4765 1.5618 1.5755 1.8674 1.8675 2.0548 2.0563 2.0893 2.0945 2.0991 2.1043 7.1795 7.2313 7.5928 7.5947 8.4355 8.4502 9.1826 9.1892 9.1980 9.2427 k = 0.5000-0.0152 0.6016 ( 17198 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7726 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4131 -15.4131 -13.4695 -13.4694 -13.2139 -13.1160 -13.1034 -12.9993 -12.9800 -12.9763 -4.2428 -4.2051 -2.9125 -2.8634 -2.8303 -2.8213 -1.1273 -1.0888 -1.0675 -0.9909 -0.9283 -0.8498 -0.6064 -0.5610 -0.4564 -0.4488 0.6544 0.6615 1.4680 1.4927 1.5468 1.5583 1.8656 1.8657 2.0548 2.0564 2.0901 2.0956 2.1001 2.1056 7.1823 7.2350 7.5908 7.5922 8.4331 8.4478 9.1834 9.1900 9.1996 9.2446 k = 0.5000-0.0000 0.6124 ( 17172 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7726 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4131 -15.4131 -13.4695 -13.4695 -13.2140 -13.1142 -13.1051 -12.9992 -12.9800 -12.9762 -4.2428 -4.2050 -2.9126 -2.8634 -2.8302 -2.8211 -1.1281 -1.0896 -1.0676 -0.9905 -0.9288 -0.8498 -0.6057 -0.5603 -0.4556 -0.4480 0.6538 0.6609 1.4739 1.5006 1.5404 1.5501 1.8650 1.8651 2.0548 2.0564 2.0904 2.0960 2.1004 2.1060 7.1832 7.2363 7.5902 7.5914 8.4323 8.4470 9.1837 9.1903 9.2002 9.2453 k = 0.5000-0.0000 0.6124 ( 17172 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7726 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4131 -15.4131 -13.4695 -13.4695 -13.2140 -13.1142 -13.1051 -12.9992 -12.9800 -12.9762 -4.2428 -4.2050 -2.9126 -2.8634 -2.8302 -2.8211 -1.1281 -1.0896 -1.0676 -0.9905 -0.9288 -0.8498 -0.6057 -0.5603 -0.4556 -0.4480 0.6538 0.6609 1.4739 1.5006 1.5404 1.5501 1.8650 1.8651 2.0548 2.0564 2.0904 2.0960 2.1004 2.1060 7.1832 7.2363 7.5902 7.5914 8.4323 8.4470 9.1837 9.1903 9.2002 9.2453 k = 0.4911 0.0155 0.6124 ( 17193 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7726 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4131 -15.4131 -13.4696 -13.4695 -13.2139 -13.1151 -13.1042 -12.9993 -12.9800 -12.9763 -4.2428 -4.2050 -2.9125 -2.8633 -2.8308 -2.8206 -1.1282 -1.0914 -1.0654 -0.9903 -0.9284 -0.8498 -0.6058 -0.5605 -0.4559 -0.4483 0.6538 0.6609 1.4711 1.4969 1.5434 1.5540 1.8637 1.8653 2.0545 2.0566 2.0876 2.0954 2.1011 2.1091 7.1831 7.2360 7.5898 7.5918 8.4326 8.4473 9.1832 9.1882 9.2022 9.2455 k = 0.4821 0.0309 0.6124 ( 17179 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7726 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4132 -15.4132 -13.4697 -13.4697 -13.2136 -13.1170 -13.1020 -12.9995 -12.9799 -12.9763 -4.2426 -4.2051 -2.9121 -2.8633 -2.8323 -2.8192 -1.1286 -1.0953 -1.0603 -0.9896 -0.9270 -0.8498 -0.6060 -0.5612 -0.4569 -0.4493 0.6539 0.6610 1.4642 1.4886 1.5508 1.5628 1.8616 1.8643 2.0541 2.0567 2.0838 2.0917 2.1052 2.1138 7.1829 7.2352 7.5893 7.5927 8.4334 8.4482 9.1819 9.1843 9.2061 9.2460 k = 0.4732 0.0464 0.6124 ( 17189 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4132 -15.4132 -13.4699 -13.4699 -13.2131 -13.1193 -13.0993 -12.9999 -12.9799 -12.9763 -4.2424 -4.2053 -2.9114 -2.8633 -2.8343 -2.8174 -1.1292 -1.0999 -1.0537 -0.9888 -0.9246 -0.8498 -0.6065 -0.5624 -0.4583 -0.4508 0.6541 0.6612 1.4554 1.4789 1.5603 1.5734 1.8587 1.8621 2.0537 2.0565 2.0807 2.0883 2.1094 2.1182 7.1825 7.2340 7.5889 7.5938 8.4346 8.4496 9.1788 9.1811 9.2102 9.2468 k = 0.4643 0.0619 0.6124 ( 17175 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3748 -31.3747 -31.3747 -31.3747 -15.4133 -15.4133 -13.4701 -13.4701 -13.2125 -13.1217 -13.0965 -13.0005 -12.9798 -12.9763 -4.2421 -4.2055 -2.9104 -2.8635 -2.8363 -2.8155 -1.1300 -1.1045 -1.0466 -0.9880 -0.9212 -0.8498 -0.6069 -0.5640 -0.4603 -0.4528 0.6544 0.6615 1.4462 1.4693 1.5707 1.5844 1.8554 1.8591 2.0529 2.0556 2.0788 2.0859 2.1132 2.1221 7.1821 7.2325 7.5886 7.5949 8.4361 8.4514 9.1744 9.1786 9.2143 9.2476 k = 0.4554 0.0773 0.6124 ( 17166 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3748 -31.3747 -31.3747 -31.3747 -15.4133 -15.4133 -13.4704 -13.4704 -13.2117 -13.1240 -13.0936 -13.0012 -12.9796 -12.9763 -4.2418 -4.2058 -2.9092 -2.8640 -2.8383 -2.8136 -1.1309 -1.1090 -1.0393 -0.9873 -0.9169 -0.8499 -0.6075 -0.5660 -0.4625 -0.4551 0.6548 0.6619 1.4371 1.4601 1.5812 1.5952 1.8516 1.8554 2.0517 2.0541 2.0780 2.0845 2.1165 2.1255 7.1817 7.2307 7.5884 7.5960 8.4380 8.4536 9.1700 9.1759 9.2182 9.2483 k = 0.4464 0.0928 0.6124 ( 17170 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3748 -31.3747 -31.3747 -31.3747 -15.4134 -15.4134 -13.4708 -13.4706 -13.2108 -13.1262 -13.0908 -13.0020 -12.9795 -12.9763 -4.2414 -4.2061 -2.9077 -2.8649 -2.8401 -2.8119 -1.1318 -1.1130 -1.0320 -0.9868 -0.9117 -0.8502 -0.6080 -0.5684 -0.4650 -0.4575 0.6552 0.6623 1.4287 1.4517 1.5915 1.6054 1.8475 1.8513 2.0500 2.0521 2.0782 2.0840 2.1193 2.1285 7.1813 7.2287 7.5883 7.5972 8.4400 8.4560 9.1657 9.1732 9.2218 9.2488 k = 0.4375 0.1083 0.6124 ( 17154 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3748 -31.3747 -31.3747 -31.3747 -15.4135 -15.4135 -13.4711 -13.4709 -13.2100 -13.1282 -13.0882 -13.0029 -12.9793 -12.9763 -4.2409 -4.2064 -2.9060 -2.8662 -2.8415 -2.8102 -1.1328 -1.1168 -1.0250 -0.9865 -0.9058 -0.8507 -0.6084 -0.5711 -0.4676 -0.4601 0.6556 0.6627 1.4210 1.4442 1.6013 1.6150 1.8433 1.8470 2.0479 2.0501 2.0790 2.0842 2.1216 2.1310 7.1809 7.2266 7.5883 7.5983 8.4421 8.4585 9.1618 9.1705 9.2251 9.2491 k = 0.4286 0.1237 0.6124 ( 17160 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3748 -31.3747 -31.3747 -31.3747 -15.4136 -15.4136 -13.4714 -13.4712 -13.2091 -13.1301 -13.0857 -13.0038 -12.9792 -12.9763 -4.2405 -4.2067 -2.9040 -2.8679 -2.8425 -2.8087 -1.1337 -1.1201 -1.0183 -0.9864 -0.8996 -0.8515 -0.6087 -0.5740 -0.4703 -0.4625 0.6561 0.6632 1.4143 1.4377 1.6104 1.6237 1.8390 1.8426 2.0456 2.0480 2.0802 2.0848 2.1235 2.1331 7.1806 7.2245 7.5883 7.5993 8.4442 8.4609 9.1583 9.1679 9.2281 9.2491 k = 0.4196 0.1392 0.6124 ( 17145 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3748 -31.3747 -31.3747 -31.3747 -15.4136 -15.4136 -13.4717 -13.4715 -13.2082 -13.1317 -13.0834 -13.0047 -12.9790 -12.9763 -4.2401 -4.2070 -2.9018 -2.8701 -2.8432 -2.8074 -1.1345 -1.1229 -1.0122 -0.9865 -0.8932 -0.8525 -0.6089 -0.5771 -0.4728 -0.4647 0.6565 0.6636 1.4085 1.4321 1.6186 1.6313 1.8349 1.8385 2.0435 2.0461 2.0815 2.0856 2.1250 2.1348 7.1804 7.2226 7.5884 7.6002 8.4461 8.4633 9.1551 9.1655 9.2308 9.2488 k = 0.4107 0.1546 0.6124 ( 17141 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3748 -31.3747 -31.3747 -31.3747 -15.4137 -15.4137 -13.4719 -13.4717 -13.2075 -13.1331 -13.0815 -13.0055 -12.9789 -12.9764 -4.2398 -4.2073 -2.8994 -2.8726 -2.8436 -2.8063 -1.1351 -1.1253 -1.0069 -0.9869 -0.8869 -0.8540 -0.6089 -0.5800 -0.4751 -0.4667 0.6569 0.6640 1.4037 1.4275 1.6257 1.6378 1.8312 1.8348 2.0417 2.0444 2.0827 2.0863 2.1262 2.1362 7.1802 7.2208 7.5885 7.6010 8.4479 8.4654 9.1525 9.1634 9.2331 9.2484 k = 0.4018 0.1701 0.6124 ( 17142 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3748 -31.3747 -31.3747 -31.3747 -15.4137 -15.4137 -13.4721 -13.4719 -13.2069 -13.1342 -13.0799 -13.0062 -12.9787 -12.9764 -4.2395 -4.2075 -2.8970 -2.8753 -2.8438 -2.8054 -1.1356 -1.1273 -1.0023 -0.9874 -0.8808 -0.8560 -0.6087 -0.5827 -0.4770 -0.4682 0.6573 0.6643 1.3999 1.4239 1.6316 1.6430 1.8279 1.8317 2.0402 2.0431 2.0839 2.0869 2.1271 2.1373 7.1801 7.2193 7.5886 7.6017 8.4494 8.4671 9.1504 9.1617 9.2351 9.2477 k = 0.3929 0.1856 0.6124 ( 17142 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3748 -31.3747 -31.3747 -31.3747 -15.4138 -15.4138 -13.4723 -13.4720 -13.2064 -13.1350 -13.0787 -13.0068 -12.9786 -12.9764 -4.2392 -4.2077 -2.8947 -2.8778 -2.8439 -2.8048 -1.1359 -1.1287 -0.9986 -0.9881 -0.8753 -0.8585 -0.6085 -0.5849 -0.4785 -0.4694 0.6575 0.6646 1.3972 1.4214 1.6360 1.6468 1.8255 1.8293 2.0391 2.0421 2.0848 2.0874 2.1277 2.1380 7.1800 7.2182 7.5886 7.6022 8.4505 8.4685 9.1489 9.1605 9.2367 9.2471 k = 0.3839 0.2010 0.6124 ( 17152 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3748 -31.3747 -31.3747 -31.3747 -15.4138 -15.4138 -13.4724 -13.4721 -13.2061 -13.1355 -13.0780 -13.0071 -12.9786 -12.9764 -4.2391 -4.2078 -2.8927 -2.8799 -2.8439 -2.8044 -1.1361 -1.1296 -0.9960 -0.9888 -0.8703 -0.8615 -0.6083 -0.5863 -0.4794 -0.4701 0.6577 0.6648 1.3956 1.4198 1.6388 1.6491 1.8239 1.8278 2.0384 2.0415 2.0853 2.0876 2.1280 2.1384 7.1800 7.2175 7.5887 7.6025 8.4512 8.4693 9.1480 9.1597 9.2377 9.2466 k = 0.3750 0.2165 0.6124 ( 17146 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3748 -31.3747 -31.3747 -31.3747 -15.4138 -15.4138 -13.4724 -13.4721 -13.2060 -13.1357 -13.0777 -13.0073 -12.9785 -12.9764 -4.2390 -4.2079 -2.8919 -2.8808 -2.8439 -2.8042 -1.1361 -1.1299 -0.9950 -0.9892 -0.8672 -0.8639 -0.6082 -0.5868 -0.4797 -0.4703 0.6577 0.6648 1.3951 1.4193 1.6397 1.6498 1.8234 1.8273 2.0382 2.0413 2.0856 2.0877 2.1282 2.1386 7.1800 7.2173 7.5887 7.6026 8.4514 8.4695 9.1477 9.1594 9.2381 9.2464 k = 0.3750 0.2165 0.6124 ( 17146 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3748 -31.3747 -31.3747 -31.3747 -15.4138 -15.4138 -13.4724 -13.4721 -13.2060 -13.1357 -13.0777 -13.0073 -12.9785 -12.9764 -4.2390 -4.2079 -2.8919 -2.8808 -2.8439 -2.8042 -1.1361 -1.1299 -0.9950 -0.9892 -0.8672 -0.8639 -0.6082 -0.5868 -0.4797 -0.4703 0.6577 0.6648 1.3951 1.4193 1.6397 1.6498 1.8234 1.8273 2.0382 2.0413 2.0856 2.0877 2.1282 2.1386 7.1800 7.2173 7.5887 7.6026 8.4514 8.4695 9.1477 9.1594 9.2381 9.2464 k = 0.3659 0.2112 0.5974 ( 17158 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3748 -31.3747 -31.3747 -31.3747 -15.4138 -15.4138 -13.4741 -13.4737 -13.2055 -13.1319 -13.0800 -13.0063 -12.9785 -12.9761 -4.2391 -4.2071 -2.8906 -2.8819 -2.8440 -2.8006 -1.1489 -1.1399 -0.9894 -0.9884 -0.8664 -0.8634 -0.5982 -0.5782 -0.4718 -0.4616 0.6473 0.6549 1.4115 1.4389 1.6179 1.6287 1.8056 1.8113 2.0330 2.0358 2.0923 2.0937 2.1390 2.1498 7.1944 7.2331 7.5770 7.5914 8.4429 8.4614 9.1471 9.1592 9.2509 9.2601 k = 0.3567 0.2059 0.5825 ( 17166 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3748 -31.3747 -31.3747 -31.3747 -15.4139 -15.4139 -13.4758 -13.4754 -13.2048 -13.1281 -13.0821 -13.0055 -12.9785 -12.9758 -4.2390 -4.2065 -2.8889 -2.8828 -2.8439 -2.7971 -1.1603 -1.1492 -0.9866 -0.9834 -0.8654 -0.8628 -0.5895 -0.5709 -0.4640 -0.4532 0.6370 0.6450 1.4277 1.4589 1.5964 1.6080 1.7869 1.7950 2.0268 2.0293 2.0994 2.1002 2.1498 2.1610 7.2089 7.2487 7.5648 7.5798 8.4355 8.4542 9.1460 9.1583 9.2638 9.2737 k = 0.3476 0.2007 0.5676 ( 17132 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3748 -31.3747 -31.3747 -31.3747 -15.4141 -15.4141 -13.4777 -13.4772 -13.2037 -13.1245 -13.0837 -13.0048 -12.9785 -12.9755 -4.2388 -4.2059 -2.8870 -2.8835 -2.8438 -2.7939 -1.1702 -1.1576 -0.9839 -0.9771 -0.8643 -0.8620 -0.5824 -0.5649 -0.4567 -0.4450 0.6267 0.6352 1.4429 1.4784 1.5761 1.5883 1.7674 1.7786 2.0196 2.0218 2.1068 2.1072 2.1607 2.1720 7.2234 7.2641 7.5523 7.5677 8.4292 8.4479 9.1444 9.1570 9.2768 9.2872 k = 0.3384 0.1954 0.5526 ( 17152 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3748 -31.3747 -31.3747 -31.3747 -15.4143 -15.4143 -13.4797 -13.4790 -13.2023 -13.1212 -13.0849 -13.0041 -12.9785 -12.9753 -4.2384 -4.2055 -2.8848 -2.8839 -2.8434 -2.7909 -1.1785 -1.1648 -0.9804 -0.9705 -0.8631 -0.8611 -0.5766 -0.5604 -0.4498 -0.4374 0.6165 0.6255 1.4559 1.4950 1.5592 1.5707 1.7473 1.7625 2.0115 2.0134 2.1146 2.1146 2.1715 2.1829 7.2378 7.2790 7.5395 7.5553 8.4242 8.4426 9.1422 9.1551 9.2898 9.3006 k = 0.3293 0.1901 0.5377 ( 17154 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3748 -31.3747 -31.3747 -31.3747 -15.4145 -15.4145 -13.4818 -13.4810 -13.2006 -13.1182 -13.0855 -13.0035 -12.9785 -12.9752 -4.2378 -4.2051 -2.8841 -2.8825 -2.8429 -2.7882 -1.1851 -1.1708 -0.9763 -0.9635 -0.8617 -0.8601 -0.5723 -0.5572 -0.4435 -0.4302 0.6064 0.6159 1.4642 1.5007 1.5534 1.5569 1.7267 1.7472 2.0024 2.0040 2.1226 2.1228 2.1822 2.1936 7.2519 7.2932 7.5264 7.5425 8.4204 8.4384 9.1394 9.1527 9.3027 9.3136 k = 0.3201 0.1848 0.5228 ( 17136 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3748 -31.3747 -31.3747 -31.3747 -15.4148 -15.4148 -13.4839 -13.4831 -13.1986 -13.1159 -13.0854 -13.0030 -12.9786 -12.9752 -4.2372 -4.2048 -2.8840 -2.8800 -2.8422 -2.7858 -1.1902 -1.1754 -0.9716 -0.9562 -0.8601 -0.8589 -0.5693 -0.5552 -0.4379 -0.4238 0.5965 0.6063 1.4647 1.4899 1.5493 1.5641 1.7061 1.7334 1.9927 1.9940 2.1309 2.1315 2.1927 2.2041 7.2655 7.3067 7.5131 7.5295 8.4178 8.4350 9.1358 9.1497 9.3155 9.3264 k = 0.3110 0.1795 0.5078 ( 17140 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3748 -31.3747 -31.3747 -31.3746 -15.4152 -15.4152 -13.4862 -13.4852 -13.1963 -13.1142 -13.0843 -13.0026 -12.9786 -12.9752 -4.2364 -4.2045 -2.8836 -2.8774 -2.8412 -2.7837 -1.1935 -1.1785 -0.9662 -0.9485 -0.8585 -0.8576 -0.5677 -0.5546 -0.4331 -0.4181 0.5868 0.5969 1.4567 1.4718 1.5477 1.5811 1.6861 1.7219 1.9824 1.9836 2.1398 2.1405 2.2030 2.2145 7.2786 7.3193 7.4997 7.5163 8.4163 8.4325 9.1314 9.1461 9.3280 9.3386 k = 0.3018 0.1743 0.4929 ( 17136 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3747 -31.3746 -15.4157 -15.4157 -13.4884 -13.4874 -13.1938 -13.1133 -13.0824 -13.0022 -12.9787 -12.9753 -4.2354 -4.2043 -2.8829 -2.8747 -2.8400 -2.7818 -1.1950 -1.1801 -0.9604 -0.9405 -0.8567 -0.8562 -0.5672 -0.5551 -0.4292 -0.4133 0.5771 0.5876 1.4426 1.4517 1.5483 1.5972 1.6683 1.7136 1.9720 1.9730 2.1490 2.1500 2.2132 2.2245 7.2909 7.3308 7.4862 7.5029 8.4156 8.4307 9.1257 9.1415 9.3402 9.3500 k = 0.2927 0.1690 0.4779 ( 17142 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3747 -31.3746 -15.4162 -15.4162 -13.4908 -13.4897 -13.1911 -13.1130 -13.0796 -13.0018 -12.9789 -12.9755 -4.2344 -4.2041 -2.8819 -2.8720 -2.8384 -2.7803 -1.1949 -1.1801 -0.9540 -0.9322 -0.8547 -0.8546 -0.5680 -0.5568 -0.4262 -0.4094 0.5676 0.5784 1.4255 1.4313 1.5471 1.6050 1.6582 1.7091 1.9619 1.9631 2.1586 2.1598 2.2231 2.2344 7.3023 7.3411 7.4726 7.4894 8.4156 8.4291 9.1181 9.1357 9.3521 9.3589 k = 0.2835 0.1637 0.4630 ( 17134 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3746 -31.3746 -15.4168 -15.4168 -13.4931 -13.4920 -13.1881 -13.1133 -13.0762 -13.0015 -12.9790 -12.9757 -4.2332 -4.2040 -2.8805 -2.8693 -2.8366 -2.7790 -1.1929 -1.1785 -0.9471 -0.9236 -0.8529 -0.8527 -0.5699 -0.5596 -0.4242 -0.4065 0.5582 0.5692 1.4072 1.4109 1.5421 1.5972 1.6620 1.7078 1.9530 1.9544 2.1686 2.1699 2.2328 2.2441 7.3128 7.3501 7.4590 7.4759 8.4156 8.4273 9.1082 9.1281 9.3528 9.3556 k = 0.2744 0.1584 0.4481 ( 17136 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3746 -31.3746 -15.4175 -15.4175 -13.4955 -13.4943 -13.1850 -13.1138 -13.0724 -13.0011 -12.9791 -12.9760 -4.2319 -4.2039 -2.8788 -2.8665 -2.8345 -2.7779 -1.1892 -1.1753 -0.9398 -0.9146 -0.8510 -0.8506 -0.5728 -0.5634 -0.4233 -0.4046 0.5488 0.5599 1.3886 1.3909 1.5331 1.5798 1.6724 1.7082 1.9462 1.9482 2.1789 2.1803 2.2423 2.2535 7.3221 7.3578 7.4455 7.4624 8.4150 8.4247 9.0949 9.1178 9.3316 9.3332 k = 0.2652 0.1531 0.4331 ( 17134 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3746 -31.3746 -15.4182 -15.4182 -13.4979 -13.4967 -13.1817 -13.1145 -13.0682 -13.0008 -12.9793 -12.9763 -4.2305 -4.2039 -2.8768 -2.8638 -2.8320 -2.7771 -1.1838 -1.1705 -0.9321 -0.9053 -0.8489 -0.8483 -0.5766 -0.5682 -0.4234 -0.4039 0.5394 0.5506 1.3699 1.3714 1.5209 1.5595 1.6815 1.7080 1.9429 1.9455 2.1895 2.1910 2.2516 2.2626 7.3303 7.3641 7.4321 7.4490 8.4128 8.4204 9.0776 9.1040 9.3084 9.3131 k = 0.2561 0.1479 0.4182 ( 17132 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3746 -31.3746 -15.4190 -15.4190 -13.5003 -13.4990 -13.1783 -13.1152 -13.0638 -13.0005 -12.9795 -12.9767 -4.2291 -4.2038 -2.8744 -2.8610 -2.8294 -2.7765 -1.1766 -1.1640 -0.9241 -0.8957 -0.8466 -0.8460 -0.5813 -0.5737 -0.4248 -0.4044 0.5299 0.5411 1.3517 1.3526 1.5065 1.5382 1.6863 1.7049 1.9441 1.9474 2.2003 2.2019 2.2607 2.2716 7.3371 7.3688 7.4189 7.4357 8.4078 8.4131 9.0567 9.0866 9.2888 9.2962 k = 0.2470 0.1426 0.4033 ( 17128 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3746 -31.3746 -15.4199 -15.4199 -13.5027 -13.5014 -13.1748 -13.1161 -13.0593 -13.0002 -12.9797 -12.9771 -4.2276 -4.2038 -2.8717 -2.8582 -2.8265 -2.7761 -1.1677 -1.1559 -0.9157 -0.8858 -0.8441 -0.8435 -0.5867 -0.5801 -0.4272 -0.4060 0.5203 0.5314 1.3339 1.3344 1.4906 1.5166 1.6852 1.6978 1.9506 1.9544 2.2112 2.2130 2.2695 2.2803 7.3425 7.3719 7.4061 7.4227 8.3984 8.4016 9.0335 9.0662 9.2741 9.2837 k = 0.2378 0.1373 0.3883 ( 17136 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3746 -31.3746 -15.4209 -15.4209 -13.5050 -13.5037 -13.1712 -13.1169 -13.0548 -12.9999 -12.9799 -12.9776 -4.2260 -4.2037 -2.8688 -2.8554 -2.8235 -2.7759 -1.1572 -1.1462 -0.9072 -0.8756 -0.8413 -0.8410 -0.5927 -0.5871 -0.4308 -0.4088 0.5105 0.5215 1.3167 1.3170 1.4738 1.4952 1.6781 1.6862 1.9624 1.9662 2.2223 2.2241 2.2780 2.2887 7.3464 7.3733 7.3938 7.4100 8.3828 8.3841 9.0108 9.0454 9.2648 9.2760 k = 0.2287 0.1320 0.3734 ( 17126 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3746 -31.3746 -15.4219 -15.4219 -13.5073 -13.5060 -13.1676 -13.1176 -13.0502 -12.9996 -12.9801 -12.9780 -4.2243 -4.2036 -2.8655 -2.8524 -2.8204 -2.7758 -1.1450 -1.1350 -0.8986 -0.8652 -0.8384 -0.8382 -0.5993 -0.5948 -0.4356 -0.4127 0.5004 0.5113 1.3003 1.3003 1.4567 1.4741 1.6657 1.6704 1.9786 1.9822 2.2334 2.2353 2.2864 2.2968 7.3487 7.3720 7.3830 7.3977 8.3594 8.3594 8.9917 9.0269 9.2603 9.2725 k = 0.2195 0.1267 0.3585 ( 17126 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3746 -31.3746 -15.4229 -15.4229 -13.5095 -13.5083 -13.1639 -13.1184 -13.0456 -12.9993 -12.9803 -12.9785 -4.2226 -4.2036 -2.8619 -2.8493 -2.8173 -2.7758 -1.1312 -1.1222 -0.8900 -0.8547 -0.8357 -0.8345 -0.6064 -0.6029 -0.4415 -0.4178 0.4901 0.5007 1.2845 1.2846 1.4394 1.4534 1.6490 1.6513 1.9982 2.0013 2.2445 2.2465 2.2944 2.3047 7.3494 7.3652 7.3767 7.3861 8.3265 8.3272 8.9787 9.0136 9.2595 9.2724 k = 0.2104 0.1215 0.3435 ( 17128 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3746 -31.3746 -15.4241 -15.4241 -13.5117 -13.5105 -13.1603 -13.1190 -13.0410 -12.9989 -12.9805 -12.9789 -4.2209 -4.2035 -2.8581 -2.8462 -2.8141 -2.7759 -1.1159 -1.1080 -0.8817 -0.8441 -0.8328 -0.8303 -0.6137 -0.6114 -0.4484 -0.4241 0.4795 0.4898 1.2694 1.2696 1.4223 1.4332 1.6290 1.6296 2.0203 2.0227 2.2556 2.2576 2.3022 2.3124 7.3482 7.3547 7.3732 7.3753 8.2852 8.2860 8.9733 9.0071 9.2618 9.2751 k = 0.2012 0.1162 0.3286 ( 17128 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3746 -31.3746 -15.4252 -15.4252 -13.5138 -13.5127 -13.1567 -13.1196 -13.0366 -12.9985 -12.9808 -12.9794 -4.2192 -4.2033 -2.8541 -2.8428 -2.8109 -2.7761 -1.0992 -1.0925 -0.8739 -0.8343 -0.8288 -0.8252 -0.6214 -0.6203 -0.4564 -0.4314 0.4685 0.4783 1.2552 1.2554 1.4054 1.4137 1.6060 1.6066 2.0439 2.0455 2.2665 2.2686 2.3098 2.3197 7.3438 7.3447 7.3660 7.3693 8.2362 8.2366 8.9760 9.0079 9.2665 9.2802 k = 0.1921 0.1109 0.3137 ( 17132 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3746 -31.3746 -15.4265 -15.4264 -13.5159 -13.5148 -13.1532 -13.1201 -13.0322 -12.9981 -12.9810 -12.9798 -4.2175 -4.2032 -2.8498 -2.8394 -2.8077 -2.7764 -1.0810 -1.0757 -0.8667 -0.8289 -0.8203 -0.8191 -0.6295 -0.6291 -0.4654 -0.4396 0.4570 0.4664 1.2416 1.2419 1.3890 1.3950 1.5810 1.5826 2.0684 2.0694 2.2772 2.2793 2.3171 2.3268 7.3332 7.3388 7.3584 7.3645 8.1805 8.1807 8.9859 9.0157 9.2732 9.2871 k = 0.1829 0.1056 0.2987 ( 17144 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3746 -31.3746 -15.4277 -15.4277 -13.5179 -13.5169 -13.1498 -13.1205 -13.0279 -12.9976 -12.9812 -12.9802 -4.2158 -4.2030 -2.8454 -2.8358 -2.8047 -2.7767 -1.0616 -1.0577 -0.8604 -0.8256 -0.8120 -0.8096 -0.6388 -0.6369 -0.4752 -0.4488 0.4450 0.4539 1.2288 1.2291 1.3731 1.3771 1.5551 1.5573 2.0934 2.0937 2.2878 2.2898 2.3241 2.3336 7.3230 7.3309 7.3520 7.3588 8.1193 8.1203 9.0021 9.0296 9.2815 9.2955 k = 0.1738 0.1003 0.2838 ( 17120 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3746 -31.3746 -15.4290 -15.4290 -13.5198 -13.5189 -13.1465 -13.1208 -13.0237 -12.9971 -12.9814 -12.9806 -4.2141 -4.2028 -2.8408 -2.8321 -2.8017 -2.7769 -1.0411 -1.0387 -0.8549 -0.8226 -0.8039 -0.7985 -0.6482 -0.6447 -0.4858 -0.4589 0.4326 0.4409 1.2166 1.2169 1.3579 1.3601 1.5288 1.5314 2.1182 2.1185 2.2980 2.3000 2.3309 2.3402 7.3133 7.3223 7.3460 7.3523 8.0548 8.0565 9.0235 9.0487 9.2911 9.3052 k = 0.1646 0.0951 0.2688 ( 17122 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3746 -31.3746 -15.4302 -15.4302 -13.5216 -13.5208 -13.1433 -13.1211 -13.0197 -12.9965 -12.9816 -12.9810 -4.2124 -4.2025 -2.8361 -2.8283 -2.7989 -2.7772 -1.0194 -1.0188 -0.8501 -0.8197 -0.7949 -0.7873 -0.6576 -0.6523 -0.4971 -0.4696 0.4196 0.4273 1.2050 1.2053 1.3433 1.3441 1.5023 1.5052 2.1425 2.1433 2.3078 2.3099 2.3374 2.3464 7.3042 7.3135 7.3398 7.3451 7.9883 7.9906 9.0488 9.0718 9.3018 9.3159 k = 0.1555 0.0898 0.2539 ( 17118 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3746 -31.3746 -15.4315 -15.4315 -13.5233 -13.5226 -13.1404 -13.1212 -13.0159 -12.9959 -12.9818 -12.9813 -4.2108 -4.2022 -2.8314 -2.8243 -2.7962 -2.7775 -0.9981 -0.9968 -0.8460 -0.8168 -0.7853 -0.7762 -0.6670 -0.6595 -0.5089 -0.4810 0.4061 0.4131 1.1938 1.1941 1.3292 1.3296 1.4760 1.4790 2.1665 2.1677 2.3173 2.3193 2.3437 2.3524 7.2956 7.3049 7.3331 7.3373 7.9212 7.9239 9.0770 9.0981 9.3134 9.3274 k = 0.1463 0.0845 0.2390 ( 17122 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3746 -31.3746 -31.3746 -15.4328 -15.4328 -13.5250 -13.5243 -13.1375 -13.1213 -13.0122 -12.9952 -12.9820 -12.9816 -4.2093 -4.2019 -2.8266 -2.8203 -2.7937 -2.7777 -0.9769 -0.9735 -0.8422 -0.8138 -0.7753 -0.7652 -0.6762 -0.6664 -0.5211 -0.4928 0.3920 0.3984 1.1831 1.1834 1.3154 1.3168 1.4501 1.4531 2.1899 2.1915 2.3264 2.3283 2.3497 2.3580 7.2876 7.2967 7.3260 7.3290 7.8544 7.8574 9.1075 9.1266 9.3257 9.3395 k = 0.1372 0.0792 0.2240 ( 17114 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3746 -31.3746 -31.3746 -31.3746 -15.4341 -15.4341 -13.5266 -13.5260 -13.1349 -13.1214 -13.0087 -12.9945 -12.9822 -12.9819 -4.2078 -4.2015 -2.8217 -2.8163 -2.7913 -2.7779 -0.9554 -0.9495 -0.8388 -0.8109 -0.7651 -0.7545 -0.6852 -0.6727 -0.5336 -0.5050 0.3774 0.3831 1.1726 1.1730 1.3028 1.3049 1.4251 1.4279 2.2126 2.2145 2.3350 2.3367 2.3555 2.3634 7.2802 7.2891 7.3185 7.3205 7.7887 7.7919 9.1393 9.1567 9.3385 9.3520 k = 0.1280 0.0739 0.2091 ( 17110 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3746 -31.3746 -31.3746 -31.3746 -15.4353 -15.4353 -13.5280 -13.5275 -13.1325 -13.1213 -13.0055 -12.9937 -12.9824 -12.9822 -4.2064 -4.2012 -2.8170 -2.8122 -2.7892 -2.7780 -0.9338 -0.9250 -0.8356 -0.8079 -0.7549 -0.7440 -0.6939 -0.6782 -0.5463 -0.5175 0.3623 0.3673 1.1625 1.1628 1.2914 1.2940 1.4010 1.4035 2.2345 2.2365 2.3431 2.3446 2.3611 2.3685 7.2735 7.2819 7.3108 7.3118 7.7249 7.7282 9.1719 9.1877 9.3515 9.3647 k = 0.1189 0.0686 0.1942 ( 17108 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3746 -31.3746 -31.3746 -31.3746 -15.4365 -15.4365 -13.5294 -13.5290 -13.1303 -13.1213 -13.0024 -12.9928 -12.9825 -12.9824 -4.2050 -4.2008 -2.8123 -2.8082 -2.7871 -2.7781 -0.9125 -0.9004 -0.8325 -0.8050 -0.7448 -0.7339 -0.7021 -0.6828 -0.5589 -0.5302 0.3468 0.3511 1.1525 1.1528 1.2812 1.2842 1.3781 1.3803 2.2553 2.2575 2.3507 2.3520 2.3664 2.3733 7.2673 7.2753 7.3029 7.3030 7.6635 7.6668 9.2046 9.2189 9.3647 9.3774 k = 0.1098 0.0634 0.1792 ( 17096 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3746 -31.3746 -31.3746 -31.3746 -15.4377 -15.4377 -13.5307 -13.5304 -13.1283 -13.1211 -12.9996 -12.9919 -12.9827 -12.9826 -4.2038 -4.2004 -2.8077 -2.8042 -2.7853 -2.7781 -0.8918 -0.8760 -0.8294 -0.8020 -0.7351 -0.7247 -0.7094 -0.6862 -0.5714 -0.5428 0.3309 0.3345 1.1426 1.1430 1.2722 1.2753 1.3566 1.3585 2.2751 2.2772 2.3578 2.3587 2.3715 2.3777 7.2617 7.2692 7.2944 7.2949 7.6050 7.6083 9.2369 9.2499 9.3778 9.3900 k = 0.1006 0.0581 0.1643 ( 17078 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3746 -31.3746 -31.3746 -31.3746 -15.4388 -15.4388 -13.5319 -13.5316 -13.1265 -13.1209 -12.9970 -12.9910 -12.9828 -12.9828 -4.2026 -4.1999 -2.8033 -2.8004 -2.7837 -2.7781 -0.8723 -0.8521 -0.8264 -0.7989 -0.7259 -0.7203 -0.7117 -0.6880 -0.5835 -0.5553 0.3148 0.3178 1.1330 1.1334 1.2643 1.2675 1.3367 1.3381 2.2936 2.2957 2.3643 2.3648 2.3763 2.3819 7.2567 7.2636 7.2860 7.2870 7.5499 7.5530 9.2684 9.2800 9.3908 9.4021 k = 0.0915 0.0528 0.1494 ( 17098 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3746 -31.3746 -31.3746 -31.3746 -15.4398 -15.4398 -13.5330 -13.5328 -13.1249 -13.1207 -12.9946 -12.9900 -12.9829 -12.9829 -4.2016 -4.1995 -2.7990 -2.7967 -2.7822 -2.7780 -0.8545 -0.8295 -0.8232 -0.7954 -0.7248 -0.7172 -0.7047 -0.6881 -0.5952 -0.5677 0.2985 0.3010 1.1237 1.1240 1.2576 1.2606 1.3184 1.3194 2.3108 2.3127 2.3703 2.3703 2.3809 2.3858 7.2523 7.2587 7.2779 7.2794 7.4985 7.5014 9.2985 9.3088 9.4033 9.4139 k = 0.0823 0.0475 0.1344 ( 17096 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3746 -31.3746 -31.3746 -31.3746 -15.4408 -15.4408 -13.5340 -13.5338 -13.1236 -13.1205 -12.9924 -12.9891 -12.9830 -12.9830 -4.2006 -4.1991 -2.7951 -2.7931 -2.7809 -2.7779 -0.8390 -0.8199 -0.8103 -0.7906 -0.7292 -0.7089 -0.6969 -0.6863 -0.6061 -0.5796 0.2825 0.2844 1.1146 1.1150 1.2519 1.2547 1.3019 1.3024 2.3265 2.3282 2.3753 2.3758 2.3853 2.3893 7.2484 7.2542 7.2703 7.2720 7.4511 7.4538 9.3267 9.3357 9.4154 9.4250 k = 0.0732 0.0422 0.1195 ( 17102 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3746 -31.3746 -31.3746 -31.3746 -15.4417 -15.4417 -13.5349 -13.5347 -13.1224 -13.1202 -12.9905 -12.9881 -12.9832 -12.9831 -4.1998 -4.1987 -2.7914 -2.7898 -2.7798 -2.7777 -0.8265 -0.8161 -0.7988 -0.7819 -0.7306 -0.7007 -0.6896 -0.6828 -0.6162 -0.5911 0.2667 0.2682 1.1061 1.1063 1.2471 1.2496 1.2872 1.2873 2.3407 2.3421 2.3798 2.3807 2.3893 2.3926 7.2451 7.2502 7.2632 7.2651 7.4080 7.4104 9.3526 9.3602 9.4270 9.4354 k = 0.0640 0.0370 0.1046 ( 17092 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3746 -31.3746 -31.3746 -31.3746 -15.4425 -15.4425 -13.5356 -13.5356 -13.1214 -13.1199 -12.9889 -12.9872 -12.9832 -12.9832 -4.1990 -4.1983 -2.7881 -2.7868 -2.7789 -2.7775 -0.8179 -0.8112 -0.7940 -0.7733 -0.7262 -0.6922 -0.6830 -0.6783 -0.6252 -0.6021 0.2517 0.2527 1.0980 1.0982 1.2431 1.2453 1.2741 1.2742 2.3532 2.3543 2.3838 2.3853 2.3929 2.3955 7.2423 7.2468 7.2568 7.2587 7.3695 7.3716 9.3756 9.3818 9.4381 9.4452 k = 0.0549 0.0317 0.0896 ( 17084 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3746 -31.3746 -31.3746 -31.3746 -15.4432 -15.4432 -13.5363 -13.5363 -13.1206 -13.1196 -12.9874 -12.9864 -12.9833 -12.9833 -4.1984 -4.1979 -2.7851 -2.7841 -2.7781 -2.7773 -0.8127 -0.8055 -0.7915 -0.7706 -0.7153 -0.6833 -0.6772 -0.6734 -0.6329 -0.6123 0.2375 0.2382 1.0907 1.0909 1.2399 1.2418 1.2627 1.2631 2.3638 2.3645 2.3877 2.3895 2.3961 2.3981 7.2399 7.2438 7.2511 7.2530 7.3357 7.3375 9.3953 9.3999 9.4489 9.4544 k = 0.0457 0.0264 0.0747 ( 17058 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3746 -31.3746 -31.3746 -31.3746 -15.4439 -15.4439 -13.5369 -13.5369 -13.1199 -13.1194 -12.9863 -12.9856 -12.9834 -12.9834 -4.1978 -4.1976 -2.7825 -2.7818 -2.7775 -2.7771 -0.8086 -0.8006 -0.7898 -0.7719 -0.7012 -0.6744 -0.6722 -0.6686 -0.6393 -0.6218 0.2247 0.2251 1.0842 1.0843 1.2373 1.2389 1.2532 1.2537 2.3725 2.3728 2.3914 2.3935 2.3988 2.4003 7.2380 7.2412 7.2461 7.2479 7.3069 7.3083 9.4112 9.4142 9.4595 9.4633 k = 0.0366 0.0211 0.0597 ( 17058 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3746 -31.3746 -31.3746 -31.3746 -15.4444 -15.4444 -13.5374 -13.5374 -13.1194 -13.1191 -12.9853 -12.9850 -12.9834 -12.9834 -4.1974 -4.1973 -2.7803 -2.7798 -2.7770 -2.7768 -0.8049 -0.7970 -0.7888 -0.7749 -0.6873 -0.6682 -0.6662 -0.6642 -0.6441 -0.6305 0.2135 0.2137 1.0788 1.0788 1.2353 1.2366 1.2455 1.2461 2.3789 2.3790 2.3952 2.3972 2.4011 2.4022 7.2365 7.2391 7.2421 7.2436 7.2831 7.2842 9.4230 9.4246 9.4695 9.4715 k = 0.0274 0.0158 0.0448 ( 17050 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3746 -31.3746 -31.3746 -31.3746 -15.4448 -15.4448 -13.5378 -13.5378 -13.1190 -13.1189 -12.9846 -12.9845 -12.9835 -12.9834 -4.1971 -4.1970 -2.7786 -2.7782 -2.7767 -2.7766 -0.8011 -0.7944 -0.7884 -0.7785 -0.6750 -0.6648 -0.6607 -0.6593 -0.6474 -0.6382 0.2044 0.2045 1.0743 1.0744 1.2339 1.2348 1.2397 1.2402 2.3833 2.3833 2.3989 2.4006 2.4029 2.4036 7.2355 7.2374 7.2388 7.2402 7.2646 7.2653 9.4312 9.4318 9.4782 9.4795 k = 0.0183 0.0106 0.0299 ( 17069 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3746 -31.3746 -31.3746 -31.3746 -15.4451 -15.4451 -13.5381 -13.5381 -13.1188 -13.1187 -12.9841 -12.9841 -12.9835 -12.9835 -4.1969 -4.1969 -2.7774 -2.7771 -2.7765 -2.7764 -0.7974 -0.7925 -0.7885 -0.7823 -0.6652 -0.6618 -0.6577 -0.6546 -0.6495 -0.6448 0.1975 0.1976 1.0711 1.0711 1.2329 1.2336 1.2355 1.2359 2.3860 2.3860 2.4021 2.4033 2.4042 2.4046 7.2349 7.2362 7.2365 7.2376 7.2513 7.2517 9.4363 9.4364 9.4845 9.4849 k = 0.0091 0.0053 0.0149 ( 17105 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3746 -31.3746 -31.3746 -31.3746 -15.4452 -15.4452 -13.5382 -13.5382 -13.1186 -13.1186 -12.9838 -12.9838 -12.9835 -12.9835 -4.1968 -4.1967 -2.7766 -2.7765 -2.7763 -2.7763 -0.7936 -0.7910 -0.7890 -0.7860 -0.6588 -0.6584 -0.6557 -0.6525 -0.6508 -0.6501 0.1933 0.1933 1.0692 1.0692 1.2324 1.2328 1.2331 1.2333 2.3875 2.3875 2.4043 2.4049 2.4050 2.4052 7.2347 7.2352 7.2353 7.2358 7.2435 7.2435 9.4395 9.4431 9.4889 9.4897 k = 0.0000 0.0000 0.0000 ( 17153 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3746 -31.3746 -31.3746 -31.3746 -15.4453 -15.4453 -13.5383 -13.5383 -13.1186 -13.1186 -12.9838 -12.9838 -12.9834 -12.9834 -4.1967 -4.1967 -2.7763 -2.7763 -2.7763 -2.7763 -0.7899 -0.7899 -0.7898 -0.7898 -0.6554 -0.6554 -0.6552 -0.6552 -0.6513 -0.6513 0.1919 0.1919 1.0685 1.0685 1.2324 1.2324 1.2324 1.2324 2.3879 2.3879 2.4052 2.4052 2.4054 2.4054 7.2349 7.2349 7.2349 7.2349 7.2408 7.2408 9.4398 9.4399 9.4901 9.4901 k = 0.0000 0.0000 0.0000 ( 17153 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3746 -31.3746 -31.3746 -31.3746 -15.4453 -15.4453 -13.5383 -13.5383 -13.1186 -13.1186 -12.9838 -12.9838 -12.9834 -12.9834 -4.1967 -4.1967 -2.7763 -2.7763 -2.7763 -2.7763 -0.7899 -0.7899 -0.7898 -0.7898 -0.6554 -0.6554 -0.6552 -0.6552 -0.6513 -0.6513 0.1919 0.1919 1.0685 1.0685 1.2324 1.2324 1.2324 1.2324 2.3879 2.3879 2.4052 2.4052 2.4054 2.4054 7.2349 7.2349 7.2349 7.2349 7.2408 7.2408 9.4399 9.4400 9.4901 9.4901 k = 0.0152 0.0087 0.0062 ( 17105 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3746 -31.3746 -31.3746 -31.3746 -15.4452 -15.4452 -13.5382 -13.5382 -13.1186 -13.1186 -12.9838 -12.9838 -12.9835 -12.9835 -4.1968 -4.1968 -2.7766 -2.7765 -2.7763 -2.7763 -0.7938 -0.7900 -0.7900 -0.7859 -0.6589 -0.6574 -0.6573 -0.6510 -0.6509 -0.6508 0.1934 0.1934 1.0692 1.0692 1.2326 1.2330 1.2331 1.2331 2.3875 2.3875 2.4043 2.4049 2.4051 2.4051 7.2347 7.2353 7.2353 7.2359 7.2435 7.2435 9.4390 9.4390 9.4886 9.4888 k = 0.0303 0.0175 0.0124 ( 17072 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3746 -31.3746 -31.3746 -31.3746 -15.4451 -15.4451 -13.5381 -13.5381 -13.1188 -13.1188 -12.9840 -12.9840 -12.9836 -12.9836 -4.1969 -4.1969 -2.7775 -2.7772 -2.7764 -2.7764 -0.7976 -0.7905 -0.7905 -0.7820 -0.6635 -0.6635 -0.6616 -0.6498 -0.6498 -0.6457 0.1977 0.1977 1.0712 1.0712 1.2336 1.2344 1.2351 1.2351 2.3859 2.3860 2.4019 2.4032 2.4044 2.4044 7.2354 7.2364 7.2364 7.2377 7.2516 7.2516 9.4362 9.4362 9.4844 9.4844 k = 0.0455 0.0262 0.0186 ( 17054 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3746 -31.3746 -31.3746 -31.3746 -15.4448 -15.4448 -13.5378 -13.5378 -13.1190 -13.1190 -12.9844 -12.9844 -12.9836 -12.9836 -4.1971 -4.1971 -2.7788 -2.7784 -2.7765 -2.7765 -0.8013 -0.7914 -0.7914 -0.7784 -0.6734 -0.6734 -0.6632 -0.6481 -0.6480 -0.6399 0.2047 0.2047 1.0746 1.0746 1.2354 1.2367 1.2385 1.2385 2.3832 2.3832 2.3981 2.4001 2.4036 2.4037 7.2369 7.2382 7.2382 7.2403 7.2650 7.2650 9.4308 9.4308 9.4781 9.4781 k = 0.0606 0.0350 0.0247 ( 17048 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3746 -31.3746 -31.3746 -31.3746 -15.4443 -15.4443 -13.5374 -13.5374 -13.1193 -13.1193 -12.9851 -12.9851 -12.9836 -12.9835 -4.1974 -4.1974 -2.7806 -2.7801 -2.7767 -2.7767 -0.8047 -0.7927 -0.7927 -0.7753 -0.6867 -0.6866 -0.6636 -0.6456 -0.6455 -0.6336 0.2140 0.2140 1.0793 1.0793 1.2380 1.2397 1.2432 1.2432 2.3790 2.3790 2.3930 2.3956 2.4029 2.4029 7.2393 7.2409 7.2409 7.2437 7.2836 7.2836 9.4219 9.4219 9.4710 9.4712 k = 0.0758 0.0437 0.0309 ( 17060 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3746 -31.3746 -31.3746 -31.3746 -15.4438 -15.4438 -13.5369 -13.5369 -13.1197 -13.1196 -12.9859 -12.9859 -12.9835 -12.9835 -4.1977 -4.1977 -2.7829 -2.7823 -2.7769 -2.7769 -0.8080 -0.7947 -0.7946 -0.7728 -0.7029 -0.7028 -0.6625 -0.6424 -0.6424 -0.6266 0.2254 0.2254 1.0853 1.0853 1.2414 1.2435 1.2493 1.2494 2.3733 2.3733 2.3865 2.3897 2.4023 2.4023 7.2424 7.2442 7.2442 7.2478 7.3074 7.3074 9.4083 9.4083 9.4643 9.4643 k = 0.0909 0.0525 0.0371 ( 17072 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3746 -31.3746 -31.3746 -31.3746 -15.4432 -15.4432 -13.5363 -13.5363 -13.1201 -13.1201 -12.9869 -12.9869 -12.9835 -12.9834 -4.1982 -4.1982 -2.7857 -2.7850 -2.7772 -2.7772 -0.8111 -0.7974 -0.7973 -0.7712 -0.7213 -0.7213 -0.6598 -0.6386 -0.6386 -0.6191 0.2383 0.2383 1.0925 1.0926 1.2457 1.2482 1.2569 1.2569 2.3660 2.3660 2.3786 2.3824 2.4018 2.4018 7.2463 7.2483 7.2483 7.2527 7.3363 7.3363 9.3898 9.3898 9.4585 9.4587 k = 0.1061 0.0612 0.0433 ( 17099 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3746 -31.3746 -31.3746 -31.3746 -15.4424 -15.4424 -13.5356 -13.5356 -13.1207 -13.1207 -12.9880 -12.9880 -12.9834 -12.9834 -4.1987 -4.1987 -2.7888 -2.7880 -2.7775 -2.7775 -0.8140 -0.8015 -0.8015 -0.7706 -0.7410 -0.7409 -0.6555 -0.6341 -0.6341 -0.6112 0.2523 0.2523 1.1010 1.1010 1.2507 1.2537 1.2658 1.2658 2.3572 2.3573 2.3694 2.3738 2.4015 2.4016 7.2510 7.2530 7.2530 7.2583 7.3701 7.3701 9.3668 9.3668 9.4537 9.4541 k = 0.1212 0.0700 0.0495 ( 17102 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3746 -31.3746 -31.3746 -31.3746 -15.4416 -15.4416 -13.5348 -13.5348 -13.1213 -13.1213 -12.9893 -12.9893 -12.9833 -12.9833 -4.1993 -4.1993 -2.7924 -2.7915 -2.7778 -2.7778 -0.8167 -0.8084 -0.8084 -0.7709 -0.7600 -0.7599 -0.6496 -0.6291 -0.6291 -0.6027 0.2671 0.2671 1.1106 1.1106 1.2566 1.2600 1.2762 1.2762 2.3470 2.3470 2.3590 2.3639 2.4014 2.4014 7.2564 7.2584 7.2584 7.2646 7.4087 7.4087 9.3400 9.3400 9.4493 9.4494 k = 0.1364 0.0787 0.0557 ( 17093 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3746 -31.3746 -31.3746 -31.3746 -15.4407 -15.4407 -13.5339 -13.5339 -13.1221 -13.1220 -12.9907 -12.9906 -12.9832 -12.9832 -4.1999 -4.1999 -2.7962 -2.7953 -2.7781 -2.7781 -0.8207 -0.8206 -0.8193 -0.7754 -0.7754 -0.7721 -0.6422 -0.6234 -0.6234 -0.5938 0.2822 0.2822 1.1213 1.1213 1.2634 1.2671 1.2879 1.2879 2.3354 2.3354 2.3472 2.3527 2.4014 2.4014 7.2625 7.2643 7.2643 7.2715 7.4518 7.4518 9.3102 9.3102 9.4452 9.4453 k = 0.1515 0.0875 0.0619 ( 17087 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3746 -31.3746 -31.3746 -31.3746 -15.4397 -15.4397 -13.5329 -13.5329 -13.1229 -13.1229 -12.9922 -12.9921 -12.9831 -12.9831 -4.2006 -4.2006 -2.8004 -2.7994 -2.7784 -2.7784 -0.8397 -0.8396 -0.8219 -0.7855 -0.7854 -0.7741 -0.6335 -0.6173 -0.6173 -0.5844 0.2975 0.2975 1.1330 1.1330 1.2710 1.2750 1.3010 1.3011 2.3224 2.3224 2.3342 2.3402 2.4014 2.4014 7.2692 7.2709 7.2709 7.2790 7.4994 7.4994 9.2778 9.2778 9.4413 9.4414 k = 0.1667 0.0962 0.0680 ( 17093 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3746 -31.3746 -31.3746 -31.3746 -15.4386 -15.4386 -13.5319 -13.5319 -13.1238 -13.1238 -12.9938 -12.9937 -12.9830 -12.9830 -4.2013 -4.2013 -2.8048 -2.8038 -2.7787 -2.7787 -0.8634 -0.8633 -0.8243 -0.7918 -0.7918 -0.7768 -0.6236 -0.6107 -0.6107 -0.5747 0.3126 0.3126 1.1456 1.1457 1.2794 1.2838 1.3154 1.3155 2.3081 2.3081 2.3201 2.3264 2.4015 2.4015 7.2766 7.2779 7.2779 7.2870 7.5510 7.5510 9.2436 9.2436 9.4373 9.4373 k = 0.1818 0.1050 0.0742 ( 17084 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3746 -31.3746 -31.3746 -31.3746 -15.4375 -15.4375 -13.5308 -13.5307 -13.1248 -13.1247 -12.9954 -12.9954 -12.9829 -12.9829 -4.2021 -4.2021 -2.8095 -2.8084 -2.7789 -2.7789 -0.8894 -0.8894 -0.8267 -0.7964 -0.7964 -0.7800 -0.6129 -0.6036 -0.6036 -0.5647 0.3273 0.3273 1.1592 1.1592 1.2887 1.2934 1.3311 1.3312 2.2926 2.2926 2.3047 2.3115 2.4016 2.4016 7.2845 7.2855 7.2855 7.2955 7.6063 7.6063 9.2080 9.2080 9.4334 9.4334 k = 0.1970 0.1137 0.0804 ( 17108 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3746 -31.3746 -31.3746 -31.3746 -15.4363 -15.4363 -13.5296 -13.5296 -13.1258 -13.1258 -12.9971 -12.9971 -12.9828 -12.9828 -4.2029 -4.2029 -2.8142 -2.8131 -2.7792 -2.7792 -0.9166 -0.9166 -0.8290 -0.8004 -0.8004 -0.7836 -0.6014 -0.5963 -0.5963 -0.5544 0.3414 0.3414 1.1735 1.1736 1.2989 1.3039 1.3480 1.3480 2.2760 2.2760 2.2883 2.2954 2.4017 2.4017 7.2929 7.2934 7.2934 7.3044 7.6651 7.6651 9.1717 9.1717 9.4296 9.4301 k = 0.2121 0.1225 0.0866 ( 17111 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3746 -31.3746 -31.3746 -31.3746 -15.4351 -15.4351 -13.5283 -13.5283 -13.1270 -13.1270 -12.9989 -12.9988 -12.9827 -12.9827 -4.2038 -4.2038 -2.8191 -2.8180 -2.7794 -2.7794 -0.9441 -0.9441 -0.8313 -0.8040 -0.8040 -0.7875 -0.5894 -0.5886 -0.5886 -0.5439 0.3548 0.3548 1.1886 1.1887 1.3099 1.3151 1.3658 1.3659 2.2582 2.2582 2.2708 2.2783 2.4019 2.4019 7.3016 7.3016 7.3018 7.3136 7.7269 7.7270 9.1352 9.1352 9.4256 9.4273 k = 0.2273 0.1312 0.0928 ( 17108 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3746 -31.3746 -31.3746 -31.3746 -15.4338 -15.4338 -13.5270 -13.5270 -13.1282 -13.1282 -13.0006 -13.0006 -12.9826 -12.9826 -4.2046 -4.2046 -2.8241 -2.8230 -2.7795 -2.7795 -0.9717 -0.9717 -0.8336 -0.8074 -0.8074 -0.7916 -0.5808 -0.5808 -0.5770 -0.5334 0.3675 0.3675 1.2045 1.2045 1.3217 1.3272 1.3846 1.3846 2.2395 2.2395 2.2523 2.2601 2.4021 2.4021 7.3102 7.3102 7.3110 7.3230 7.7912 7.7912 9.0993 9.0993 9.4217 9.4219 k = 0.2424 0.1400 0.0990 ( 17105 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3746 -31.3746 -31.3746 -31.3746 -15.4325 -15.4325 -13.5257 -13.5257 -13.1295 -13.1295 -13.0023 -13.0023 -12.9825 -12.9825 -4.2055 -4.2055 -2.8291 -2.8280 -2.7796 -2.7796 -0.9989 -0.9989 -0.8358 -0.8108 -0.8108 -0.7958 -0.5728 -0.5728 -0.5643 -0.5227 0.3794 0.3794 1.2209 1.2209 1.3343 1.3401 1.4040 1.4041 2.2198 2.2198 2.2329 2.2409 2.4023 2.4023 7.3189 7.3189 7.3204 7.3326 7.8574 7.8574 9.0647 9.0647 9.4180 9.4184 k = 0.2576 0.1487 0.1052 ( 17114 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3746 -31.3746 -15.4312 -15.4312 -13.5244 -13.5244 -13.1308 -13.1308 -13.0041 -13.0040 -12.9824 -12.9824 -4.2064 -4.2064 -2.8341 -2.8330 -2.7797 -2.7797 -1.0256 -1.0256 -0.8379 -0.8141 -0.8141 -0.8002 -0.5648 -0.5648 -0.5516 -0.5122 0.3904 0.3904 1.2379 1.2380 1.3478 1.3537 1.4239 1.4240 2.1992 2.1992 2.2127 2.2208 2.4025 2.4025 7.3278 7.3278 7.3301 7.3423 7.9246 7.9246 9.0322 9.0322 9.4143 9.4176 k = 0.2727 0.1575 0.1113 ( 17132 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3746 -31.3746 -15.4300 -15.4300 -13.5230 -13.5230 -13.1322 -13.1322 -13.0058 -13.0057 -12.9823 -12.9823 -4.2073 -4.2073 -2.8390 -2.8379 -2.7797 -2.7797 -1.0515 -1.0515 -0.8400 -0.8174 -0.8173 -0.8045 -0.5568 -0.5568 -0.5389 -0.5018 0.4006 0.4006 1.2555 1.2555 1.3620 1.3681 1.4441 1.4442 2.1779 2.1779 2.1917 2.2000 2.4027 2.4027 7.3367 7.3367 7.3399 7.3520 7.9920 7.9920 9.0027 9.0027 9.4107 9.4109 k = 0.2879 0.1662 0.1175 ( 17132 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3746 -31.3746 -15.4287 -15.4287 -13.5217 -13.5217 -13.1336 -13.1336 -13.0074 -13.0074 -12.9822 -12.9821 -4.2081 -4.2081 -2.8438 -2.8427 -2.7796 -2.7796 -1.0765 -1.0764 -0.8420 -0.8205 -0.8205 -0.8089 -0.5490 -0.5490 -0.5263 -0.4916 0.4100 0.4100 1.2735 1.2736 1.3769 1.3832 1.4644 1.4645 2.1560 2.1560 2.1701 2.1785 2.4029 2.4029 7.3456 7.3456 7.3497 7.3617 8.0584 8.0584 8.9774 8.9774 9.4084 9.4300 k = 0.3030 0.1750 0.1237 ( 17153 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3746 -31.3746 -15.4274 -15.4274 -13.5203 -13.5203 -13.1351 -13.1350 -13.0089 -13.0089 -12.9820 -12.9820 -4.2090 -4.2090 -2.8484 -2.8474 -2.7795 -2.7795 -1.1003 -1.1003 -0.8439 -0.8236 -0.8236 -0.8132 -0.5413 -0.5413 -0.5140 -0.4817 0.4185 0.4185 1.2919 1.2920 1.3926 1.3990 1.4845 1.4846 2.1336 2.1336 2.1479 2.1564 2.4031 2.4032 7.3543 7.3543 7.3594 7.3711 8.1222 8.1222 8.9576 8.9576 9.4038 9.4053 k = 0.3182 0.1837 0.1299 ( 17156 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3746 -31.3746 -15.4262 -15.4262 -13.5190 -13.5190 -13.1365 -13.1365 -13.0104 -13.0104 -12.9819 -12.9819 -4.2098 -4.2098 -2.8529 -2.8519 -2.7793 -2.7793 -1.1230 -1.1230 -0.8457 -0.8265 -0.8265 -0.8174 -0.5338 -0.5338 -0.5021 -0.4722 0.4263 0.4263 1.3106 1.3107 1.4088 1.4153 1.5043 1.5043 2.1108 2.1108 2.1254 2.1339 2.4034 2.4034 7.3629 7.3629 7.3690 7.3803 8.1816 8.1816 8.9447 8.9447 9.4005 9.4030 k = 0.3333 0.1925 0.1361 ( 17156 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3746 -31.3746 -15.4251 -15.4251 -13.5177 -13.5177 -13.1379 -13.1379 -13.0118 -13.0118 -12.9818 -12.9818 -4.2106 -4.2106 -2.8571 -2.8562 -2.7791 -2.7791 -1.1443 -1.1443 -0.8473 -0.8294 -0.8294 -0.8214 -0.5267 -0.5267 -0.4906 -0.4632 0.4332 0.4332 1.3296 1.3296 1.4256 1.4321 1.5234 1.5234 2.0878 2.0878 2.1026 2.1110 2.4036 2.4036 7.3711 7.3711 7.3783 7.3891 8.2348 8.2348 8.9406 8.9406 9.3997 9.4172 k = 0.3485 0.2012 0.1423 ( 17151 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3746 -31.3746 -15.4240 -15.4240 -13.5165 -13.5165 -13.1393 -13.1393 -13.0131 -13.0131 -12.9817 -12.9817 -4.2113 -4.2113 -2.8611 -2.8602 -2.7789 -2.7789 -1.1641 -1.1641 -0.8488 -0.8320 -0.8320 -0.8253 -0.5199 -0.5199 -0.4797 -0.4548 0.4395 0.4395 1.3485 1.3486 1.4427 1.4492 1.5417 1.5418 2.0648 2.0648 2.0798 2.0881 2.4038 2.4038 7.3790 7.3790 7.3872 7.3974 8.2797 8.2797 8.9465 8.9465 9.3954 9.4069 k = 0.3636 0.2099 0.1485 ( 17139 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3746 -31.3746 -15.4230 -15.4230 -13.5153 -13.5153 -13.1407 -13.1406 -13.0143 -13.0142 -12.9816 -12.9816 -4.2120 -4.2120 -2.8648 -2.8640 -2.7787 -2.7786 -1.1823 -1.1823 -0.8502 -0.8345 -0.8345 -0.8291 -0.5136 -0.5136 -0.4695 -0.4471 0.4450 0.4450 1.3674 1.3675 1.4601 1.4665 1.5590 1.5591 2.0420 2.0420 2.0572 2.0653 2.4039 2.4039 7.3864 7.3864 7.3957 7.4052 8.3151 8.3151 8.9630 8.9630 9.3933 9.3988 k = 0.3788 0.2187 0.1546 ( 17130 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3746 -31.3746 -15.4220 -15.4220 -13.5143 -13.5143 -13.1419 -13.1419 -13.0153 -13.0153 -12.9816 -12.9816 -4.2126 -4.2126 -2.8682 -2.8674 -2.7784 -2.7784 -1.1989 -1.1989 -0.8513 -0.8368 -0.8368 -0.8326 -0.5078 -0.5078 -0.4600 -0.4401 0.4499 0.4499 1.3859 1.3860 1.4776 1.4838 1.5752 1.5753 2.0198 2.0198 2.0350 2.0428 2.4041 2.4041 7.3933 7.3933 7.4037 7.4124 8.3406 8.3406 8.9897 8.9897 9.3898 9.3921 k = 0.3939 0.2274 0.1608 ( 17124 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3746 -31.3746 -15.4212 -15.4212 -13.5133 -13.5133 -13.1431 -13.1431 -13.0163 -13.0163 -12.9815 -12.9815 -4.2132 -4.2132 -2.8712 -2.8705 -2.7781 -2.7781 -1.2137 -1.2137 -0.8522 -0.8389 -0.8388 -0.8358 -0.5026 -0.5026 -0.4512 -0.4338 0.4541 0.4541 1.4039 1.4039 1.4948 1.5009 1.5900 1.5901 1.9983 1.9983 2.0135 2.0209 2.4043 2.4043 7.3996 7.3996 7.4110 7.4189 8.3574 8.3574 9.0244 9.0244 9.3886 9.3967 k = 0.4091 0.2362 0.1670 ( 17130 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3746 -31.3746 -15.4204 -15.4204 -13.5124 -13.5124 -13.1441 -13.1441 -13.0171 -13.0171 -12.9814 -12.9814 -4.2137 -4.2137 -2.8738 -2.8733 -2.7779 -2.7779 -1.2267 -1.2267 -0.8529 -0.8407 -0.8407 -0.8389 -0.4980 -0.4980 -0.4434 -0.4285 0.4577 0.4577 1.4208 1.4209 1.5116 1.5173 1.6033 1.6033 1.9780 1.9780 1.9932 2.0000 2.4044 2.4044 7.4052 7.4052 7.4177 7.4245 8.3671 8.3671 9.0642 9.0642 9.3858 9.3875 k = 0.4242 0.2449 0.1732 ( 17121 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3746 -31.3746 -15.4198 -15.4198 -13.5116 -13.5116 -13.1451 -13.1451 -13.0178 -13.0178 -12.9814 -12.9814 -4.2142 -4.2142 -2.8761 -2.8756 -2.7776 -2.7776 -1.2378 -1.2378 -0.8533 -0.8423 -0.8423 -0.8416 -0.4940 -0.4940 -0.4365 -0.4241 0.4608 0.4608 1.4365 1.4365 1.5275 1.5327 1.6149 1.6150 1.9593 1.9593 1.9744 1.9806 2.4045 2.4045 7.4100 7.4100 7.4235 7.4293 8.3717 8.3717 9.1054 9.1054 9.3841 9.3850 k = 0.4394 0.2537 0.1794 ( 17109 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3746 -31.3746 -15.4192 -15.4192 -13.5110 -13.5110 -13.1459 -13.1458 -13.0184 -13.0184 -12.9813 -12.9813 -4.2145 -4.2145 -2.8780 -2.8776 -2.7774 -2.7774 -1.2470 -1.2470 -0.8534 -0.8442 -0.8436 -0.8435 -0.4906 -0.4906 -0.4305 -0.4206 0.4632 0.4632 1.4503 1.4504 1.5419 1.5465 1.6248 1.6248 1.9427 1.9427 1.9578 1.9632 2.4046 2.4046 7.4140 7.4140 7.4285 7.4332 8.3733 8.3733 9.1446 9.1446 9.3828 9.3830 k = 0.4545 0.2624 0.1856 ( 17115 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3746 -31.3746 -15.4188 -15.4188 -13.5105 -13.5105 -13.1465 -13.1465 -13.0188 -13.0188 -12.9813 -12.9813 -4.2148 -4.2148 -2.8795 -2.8792 -2.7772 -2.7772 -1.2542 -1.2542 -0.8533 -0.8464 -0.8446 -0.8446 -0.4880 -0.4880 -0.4256 -0.4181 0.4651 0.4651 1.4619 1.4619 1.5544 1.5581 1.6327 1.6327 1.9289 1.9289 1.9440 1.9483 2.4047 2.4047 7.4172 7.4172 7.4326 7.4362 8.3731 8.3731 9.1787 9.1787 9.3819 9.3832 k = 0.4697 0.2712 0.1918 ( 17115 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3746 -31.3746 -15.4185 -15.4185 -13.5101 -13.5101 -13.1469 -13.1469 -13.0192 -13.0192 -12.9812 -12.9812 -4.2150 -4.2150 -2.8805 -2.8803 -2.7771 -2.7771 -1.2593 -1.2593 -0.8529 -0.8483 -0.8453 -0.8453 -0.4861 -0.4861 -0.4216 -0.4167 0.4664 0.4664 1.4706 1.4706 1.5642 1.5669 1.6385 1.6386 1.9184 1.9184 1.9338 1.9368 2.4048 2.4048 7.4195 7.4195 7.4357 7.4382 8.3723 8.3723 9.2051 9.2051 9.3809 9.3813 k = 0.4848 0.2799 0.1979 ( 17127 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3746 -31.3746 -15.4183 -15.4183 -13.5099 -13.5099 -13.1472 -13.1472 -13.0194 -13.0193 -12.9812 -12.9812 -4.2151 -4.2151 -2.8811 -2.8810 -2.7770 -2.7770 -1.2624 -1.2624 -0.8522 -0.8499 -0.8458 -0.8458 -0.4850 -0.4850 -0.4188 -0.4163 0.4672 0.4672 1.4761 1.4761 1.5708 1.5721 1.6421 1.6421 1.9119 1.9119 1.9276 1.9292 2.4048 2.4048 7.4209 7.4209 7.4379 7.4391 8.3715 8.3715 9.2218 9.2218 9.3804 9.3804 k = 0.5000 0.2887 0.2041 ( 17070 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3746 -31.3746 -15.4183 -15.4183 -13.5098 -13.5098 -13.1473 -13.1473 -13.0194 -13.0194 -12.9812 -12.9812 -4.2152 -4.2152 -2.8813 -2.8813 -2.7770 -2.7770 -1.2635 -1.2635 -0.8512 -0.8512 -0.8459 -0.8459 -0.4846 -0.4846 -0.4170 -0.4170 0.4675 0.4675 1.4779 1.4779 1.5735 1.5735 1.6433 1.6433 1.9096 1.9096 1.9260 1.9260 2.4048 2.4048 7.4214 7.4214 7.4390 7.4390 8.3713 8.3713 9.2275 9.2275 9.3802 9.3802 k = 0.5000 0.2887 0.2041 ( 17070 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3746 -31.3746 -15.4183 -15.4183 -13.5098 -13.5098 -13.1473 -13.1473 -13.0194 -13.0194 -12.9812 -12.9812 -4.2152 -4.2152 -2.8813 -2.8813 -2.7770 -2.7770 -1.2635 -1.2635 -0.8512 -0.8512 -0.8459 -0.8459 -0.4846 -0.4846 -0.4170 -0.4170 0.4675 0.4675 1.4779 1.4779 1.5735 1.5735 1.6433 1.6433 1.9096 1.9096 1.9260 1.9260 2.4048 2.4048 7.4214 7.4214 7.4390 7.4390 8.3713 8.3713 9.2275 9.2275 9.3802 9.3802 k = 0.5052 0.2736 0.2126 ( 17133 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3746 -31.3746 -15.4182 -15.4182 -13.5098 -13.5096 -13.1500 -13.1447 -13.0223 -13.0167 -12.9812 -12.9812 -4.2164 -4.2140 -2.8813 -2.8813 -2.7791 -2.7753 -1.2637 -1.2626 -0.8518 -0.8516 -0.8468 -0.8452 -0.4848 -0.4847 -0.4173 -0.4173 0.4675 0.4689 1.4755 1.4804 1.5732 1.5733 1.6419 1.6453 1.9102 1.9104 1.9266 1.9266 2.4040 2.4044 7.4198 7.4224 7.4389 7.4390 8.3708 8.3722 9.2270 9.2275 9.3798 9.3809 k = 0.5104 0.2586 0.2211 ( 17131 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3746 -31.3746 -15.4182 -15.4182 -13.5095 -13.5092 -13.1528 -13.1422 -13.0255 -13.0143 -12.9812 -12.9811 -4.2177 -4.2129 -2.8813 -2.8813 -2.7815 -2.7739 -1.2634 -1.2613 -0.8537 -0.8528 -0.8473 -0.8448 -0.4852 -0.4851 -0.4183 -0.4182 0.4690 0.4716 1.4730 1.4828 1.5726 1.5727 1.6413 1.6479 1.9119 1.9124 1.9281 1.9282 2.4019 2.4028 7.4172 7.4232 7.4384 7.4395 8.3709 8.3736 9.2260 9.2270 9.3798 9.3814 k = 0.5156 0.2436 0.2296 ( 17125 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3746 -31.3746 -15.4181 -15.4181 -13.5090 -13.5086 -13.1556 -13.1398 -13.0288 -13.0121 -12.9811 -12.9809 -4.2190 -4.2119 -2.8813 -2.8813 -2.7842 -2.7729 -1.2625 -1.2593 -0.8569 -0.8547 -0.8477 -0.8449 -0.4861 -0.4857 -0.4198 -0.4195 0.4718 0.4757 1.4706 1.4850 1.5716 1.5719 1.6414 1.6510 1.9150 1.9156 1.9308 1.9308 2.3987 2.4000 7.4130 7.4232 7.4379 7.4409 8.3716 8.3755 9.2245 9.2258 9.3799 9.3813 k = 0.5208 0.2285 0.2381 ( 17129 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3746 -31.3746 -15.4180 -15.4180 -13.5083 -13.5077 -13.1585 -13.1374 -13.0324 -13.0103 -12.9809 -12.9807 -4.2203 -4.2109 -2.8814 -2.8814 -2.7873 -2.7722 -1.2610 -1.2569 -0.8611 -0.8573 -0.8480 -0.8453 -0.4873 -0.4865 -0.4218 -0.4213 0.4759 0.4810 1.4683 1.4872 1.5701 1.5708 1.6424 1.6546 1.9191 1.9199 1.9343 1.9345 2.3942 2.3959 7.4071 7.4217 7.4385 7.4436 8.3727 8.3779 9.2225 9.2238 9.3797 9.3800 k = 0.5260 0.2135 0.2467 ( 17126 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3746 -31.3746 -15.4179 -15.4179 -13.5073 -13.5066 -13.1615 -13.1352 -13.0360 -13.0086 -12.9808 -12.9804 -4.2217 -4.2100 -2.8815 -2.8815 -2.7906 -2.7719 -1.2590 -1.2538 -0.8661 -0.8607 -0.8484 -0.8460 -0.4891 -0.4877 -0.4244 -0.4233 0.4813 0.4874 1.4661 1.4891 1.5683 1.5697 1.6442 1.6586 1.9244 1.9251 1.9388 1.9390 2.3886 2.3907 7.3995 7.4179 7.4407 7.4474 8.3743 8.3807 9.2200 9.2211 9.3775 9.3786 k = 0.5312 0.1985 0.2552 ( 17131 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3746 -31.3746 -15.4177 -15.4177 -13.5062 -13.5053 -13.1645 -13.1331 -13.0399 -13.0073 -12.9806 -12.9800 -4.2230 -4.2092 -2.8816 -2.8816 -2.7941 -2.7719 -1.2564 -1.2503 -0.8719 -0.8650 -0.8489 -0.8468 -0.4915 -0.4893 -0.4272 -0.4254 0.4879 0.4949 1.4640 1.4909 1.5663 1.5685 1.6471 1.6632 1.9306 1.9313 1.9441 1.9444 2.3818 2.3844 7.3906 7.4122 7.4444 7.4522 8.3763 8.3839 9.2170 9.2177 9.3739 9.3765 k = 0.5365 0.1834 0.2637 ( 17128 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3746 -31.3746 -15.4175 -15.4175 -13.5048 -13.5039 -13.1675 -13.1311 -13.0438 -13.0062 -12.9804 -12.9796 -4.2244 -4.2085 -2.8817 -2.8817 -2.7979 -2.7723 -1.2532 -1.2462 -0.8784 -0.8702 -0.8494 -0.8478 -0.4946 -0.4913 -0.4303 -0.4276 0.4955 0.5033 1.4621 1.4925 1.5641 1.5675 1.6509 1.6683 1.9376 1.9382 1.9501 1.9505 2.3739 2.3769 7.3805 7.4049 7.4492 7.4580 8.3787 8.3874 9.2135 9.2135 9.3695 9.3733 k = 0.5417 0.1684 0.2722 ( 17130 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3746 -31.3746 -15.4173 -15.4173 -13.5033 -13.5023 -13.1706 -13.1293 -13.0478 -13.0053 -12.9802 -12.9792 -4.2258 -4.2078 -2.8818 -2.8818 -2.8018 -2.7729 -1.2495 -1.2417 -0.8854 -0.8761 -0.8501 -0.8488 -0.4985 -0.4939 -0.4335 -0.4297 0.5040 0.5125 1.4603 1.4938 1.5619 1.5666 1.6557 1.6739 1.9452 1.9458 1.9567 1.9571 2.3649 2.3683 7.3695 7.3963 7.4550 7.4645 8.3815 8.3913 9.2087 9.2096 9.3642 9.3692 k = 0.5469 0.1534 0.2807 ( 17124 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3746 -31.3746 -15.4170 -15.4170 -13.5015 -13.5005 -13.1737 -13.1276 -13.0518 -13.0046 -12.9800 -12.9787 -4.2272 -4.2072 -2.8820 -2.8820 -2.8058 -2.7738 -1.2452 -1.2366 -0.8928 -0.8827 -0.8509 -0.8500 -0.5031 -0.4971 -0.4367 -0.4316 0.5133 0.5223 1.4587 1.4947 1.5599 1.5661 1.6614 1.6800 1.9534 1.9540 1.9639 1.9641 2.3548 2.3586 7.3576 7.3867 7.4615 7.4718 8.3847 8.3954 9.2034 9.2055 9.3583 9.3642 k = 0.5521 0.1383 0.2892 ( 17120 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3746 -31.3746 -15.4168 -15.4168 -13.4997 -13.4986 -13.1768 -13.1260 -13.0558 -13.0041 -12.9799 -12.9782 -4.2285 -4.2068 -2.8821 -2.8821 -2.8099 -2.7750 -1.2405 -1.2311 -0.9007 -0.8899 -0.8517 -0.8511 -0.5084 -0.5010 -0.4397 -0.4335 0.5232 0.5326 1.4571 1.4953 1.5582 1.5659 1.6682 1.6868 1.9619 1.9627 1.9714 1.9715 2.3437 2.3479 7.3451 7.3762 7.4687 7.4797 8.3881 8.3998 9.1978 9.2011 9.3519 9.3586 k = 0.5573 0.1233 0.2977 ( 17133 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3746 -31.3746 -15.4165 -15.4165 -13.4977 -13.4965 -13.1799 -13.1247 -13.0598 -13.0038 -12.9797 -12.9777 -4.2298 -4.2064 -2.8824 -2.8823 -2.8140 -2.7764 -1.2352 -1.2251 -0.9088 -0.8977 -0.8526 -0.8524 -0.5144 -0.5056 -0.4425 -0.4352 0.5337 0.5433 1.4554 1.4954 1.5570 1.5663 1.6759 1.6941 1.9706 1.9717 1.9789 1.9795 2.3317 2.3362 7.3322 7.3651 7.4765 7.4881 8.3918 8.4044 9.1920 9.1966 9.3449 9.3523 k = 0.5625 0.1083 0.3062 ( 17135 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3747 -31.3746 -15.4162 -15.4162 -13.4955 -13.4944 -13.1829 -13.1235 -13.0636 -13.0036 -12.9795 -12.9773 -4.2311 -4.2060 -2.8827 -2.8824 -2.8180 -2.7780 -1.2294 -1.2187 -0.9171 -0.9058 -0.8537 -0.8536 -0.5210 -0.5107 -0.4450 -0.4368 0.5444 0.5543 1.4537 1.4947 1.5567 1.5674 1.6845 1.7020 1.9791 1.9811 1.9863 1.9880 2.3187 2.3236 7.3189 7.3535 7.4847 7.4970 8.3958 8.4091 9.1862 9.1921 9.3375 9.3455 k = 0.5677 0.0932 0.3147 ( 17130 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3747 -31.3746 -15.4160 -15.4160 -13.4933 -13.4922 -13.1858 -13.1226 -13.0672 -13.0036 -12.9793 -12.9769 -4.2323 -4.2058 -2.8830 -2.8825 -2.8219 -2.7798 -1.2231 -1.2120 -0.9255 -0.9143 -0.8550 -0.8546 -0.5280 -0.5165 -0.4474 -0.4383 0.5554 0.5653 1.4518 1.4933 1.5573 1.5691 1.6939 1.7105 1.9873 1.9906 1.9937 1.9970 2.3049 2.3101 7.3055 7.3414 7.4934 7.5062 8.3999 8.4140 9.1805 9.1877 9.3297 9.3382 k = 0.5729 0.0782 0.3232 ( 17132 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4157 -15.4157 -13.4911 -13.4900 -13.1887 -13.1220 -13.0705 -13.0036 -12.9792 -12.9765 -4.2334 -4.2057 -2.8835 -2.8827 -2.8257 -2.7817 -1.2164 -1.2049 -0.9338 -0.9231 -0.8564 -0.8557 -0.5354 -0.5227 -0.4497 -0.4399 0.5665 0.5763 1.4497 1.4909 1.5592 1.5717 1.7041 1.7197 1.9950 1.9993 2.0018 2.0063 2.2903 2.2959 7.2921 7.3292 7.5024 7.5156 8.4041 8.4190 9.1750 9.1834 9.3216 9.3306 k = 0.5781 0.0631 0.3317 ( 17138 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4154 -15.4154 -13.4888 -13.4878 -13.1914 -13.1218 -13.0735 -13.0038 -12.9791 -12.9762 -4.2345 -4.2056 -2.8840 -2.8828 -2.8292 -2.7838 -1.2093 -1.1975 -0.9421 -0.9319 -0.8578 -0.8567 -0.5429 -0.5292 -0.4518 -0.4417 0.5775 0.5872 1.4472 1.4876 1.5623 1.5751 1.7151 1.7294 2.0020 2.0062 2.0114 2.0161 2.2749 2.2808 7.2789 7.3168 7.5116 7.5252 8.4085 8.4240 9.1699 9.1794 9.3132 9.3225 k = 0.5833 0.0481 0.3402 ( 17129 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4151 -15.4151 -13.4865 -13.4856 -13.1940 -13.1220 -13.0760 -13.0040 -12.9790 -12.9760 -4.2354 -4.2056 -2.8846 -2.8828 -2.8324 -2.7859 -1.2018 -1.1898 -0.9501 -0.9407 -0.8591 -0.8578 -0.5507 -0.5359 -0.4541 -0.4436 0.5884 0.5978 1.4441 1.4833 1.5666 1.5795 1.7266 1.7397 2.0084 2.0122 2.0215 2.0260 2.2588 2.2651 7.2658 7.3045 7.5209 7.5349 8.4130 8.4292 9.1651 9.1756 9.3047 9.3143 k = 0.5885 0.0331 0.3487 ( 17134 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4149 -15.4149 -13.4843 -13.4834 -13.1964 -13.1226 -13.0780 -13.0043 -12.9789 -12.9758 -4.2363 -4.2057 -2.8854 -2.8828 -2.8352 -2.7882 -1.1940 -1.1819 -0.9577 -0.9494 -0.8605 -0.8589 -0.5584 -0.5428 -0.4564 -0.4457 0.5989 0.6081 1.4406 1.4781 1.5722 1.5849 1.7387 1.7505 2.0141 2.0176 2.0316 2.0360 2.2421 2.2488 7.2532 7.2923 7.5303 7.5446 8.4176 8.4343 9.1609 9.1721 9.2960 9.3058 k = 0.5938 0.0180 0.3572 ( 17134 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4146 -15.4146 -13.4821 -13.4813 -13.1986 -13.1236 -13.0794 -13.0046 -12.9788 -12.9757 -4.2371 -4.2059 -2.8862 -2.8828 -2.8377 -2.7905 -1.1859 -1.1739 -0.9649 -0.9578 -0.8618 -0.8599 -0.5661 -0.5496 -0.4588 -0.4481 0.6091 0.6180 1.4363 1.4720 1.5789 1.5913 1.7511 1.7617 2.0191 2.0224 2.0417 2.0459 2.2249 2.2319 7.2409 7.2804 7.5396 7.5540 8.4222 8.4395 9.1572 9.1689 9.2873 9.2972 k = 0.5990 0.0030 0.3657 ( 17136 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4144 -15.4144 -13.4800 -13.4793 -13.2006 -13.1251 -13.0802 -13.0050 -12.9787 -12.9757 -4.2377 -4.2061 -2.8872 -2.8827 -2.8397 -2.7928 -1.1776 -1.1659 -0.9715 -0.9659 -0.8630 -0.8608 -0.5737 -0.5564 -0.4615 -0.4508 0.6188 0.6274 1.4314 1.4651 1.5867 1.5988 1.7638 1.7731 2.0235 2.0266 2.0516 2.0557 2.2073 2.2147 7.2292 7.2688 7.5487 7.5633 8.4269 8.4446 9.1540 9.1662 9.2786 9.2885 k = 0.6042-0.0120 0.3742 ( 17134 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4142 -15.4142 -13.4781 -13.4775 -13.2023 -13.1269 -13.0805 -13.0054 -12.9787 -12.9757 -4.2382 -4.2063 -2.8882 -2.8825 -2.8414 -2.7952 -1.1691 -1.1580 -0.9772 -0.9734 -0.8642 -0.8617 -0.5811 -0.5630 -0.4645 -0.4539 0.6279 0.6363 1.4257 1.4574 1.5956 1.6072 1.7766 1.7846 2.0272 2.0302 2.0613 2.0652 2.1894 2.1973 7.2180 7.2575 7.5576 7.5722 8.4317 8.4497 9.1515 9.1638 9.2700 9.2798 k = 0.6094-0.0271 0.3827 ( 17130 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4140 -15.4140 -13.4763 -13.4758 -13.2037 -13.1290 -13.0803 -13.0059 -12.9786 -12.9758 -4.2386 -4.2067 -2.8892 -2.8822 -2.8426 -2.7975 -1.1606 -1.1503 -0.9821 -0.9802 -0.8652 -0.8625 -0.5883 -0.5694 -0.4678 -0.4574 0.6365 0.6445 1.4193 1.4490 1.6054 1.6166 1.7892 1.7961 2.0304 2.0333 2.0705 2.0741 2.1715 2.1799 7.2075 7.2467 7.5662 7.5807 8.4365 8.4547 9.1497 9.1620 9.2616 9.2711 k = 0.6146-0.0421 0.3912 ( 17140 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4139 -15.4139 -13.4748 -13.4744 -13.2048 -13.1312 -13.0797 -13.0064 -12.9786 -12.9759 -4.2389 -4.2070 -2.8902 -2.8819 -2.8434 -2.7998 -1.1522 -1.1429 -0.9862 -0.9858 -0.8661 -0.8632 -0.5953 -0.5755 -0.4714 -0.4612 0.6443 0.6520 1.4120 1.4399 1.6160 1.6269 1.8014 1.8073 2.0332 2.0361 2.0788 2.0818 2.1541 2.1632 7.1976 7.2364 7.5743 7.5886 8.4414 8.4597 9.1484 9.1606 9.2534 9.2626 k = 0.6198-0.0571 0.3997 ( 17148 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4138 -15.4138 -13.4735 -13.4731 -13.2055 -13.1335 -13.0788 -13.0069 -12.9786 -12.9760 -4.2390 -4.2074 -2.8911 -2.8814 -2.8438 -2.8020 -1.1439 -1.1361 -0.9912 -0.9882 -0.8668 -0.8637 -0.6019 -0.5813 -0.4754 -0.4656 0.6514 0.6588 1.4040 1.4300 1.6275 1.6380 1.8130 1.8178 2.0358 2.0387 2.0850 2.0873 2.1384 2.1484 7.1885 7.2266 7.5818 7.5960 8.4463 8.4647 9.1478 9.1598 9.2455 9.2543 k = 0.6250-0.0722 0.4082 ( 17146 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4138 -15.4138 -13.4725 -13.4721 -13.2059 -13.1357 -13.0776 -13.0075 -12.9787 -12.9762 -4.2390 -4.2079 -2.8919 -2.8808 -2.8439 -2.8042 -1.1360 -1.1298 -0.9950 -0.9892 -0.8673 -0.8641 -0.6082 -0.5868 -0.4797 -0.4703 0.6577 0.6648 1.3951 1.4193 1.6397 1.6498 1.8234 1.8274 2.0384 2.0414 2.0856 2.0877 2.1280 2.1384 7.1800 7.2173 7.5887 7.6026 8.4514 8.4695 9.1477 9.1595 9.2381 9.2463 k = 0.6250-0.0722 0.4082 ( 17146 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4138 -15.4138 -13.4725 -13.4721 -13.2059 -13.1357 -13.0776 -13.0075 -12.9787 -12.9762 -4.2390 -4.2079 -2.8919 -2.8808 -2.8439 -2.8042 -1.1360 -1.1298 -0.9950 -0.9892 -0.8673 -0.8641 -0.6082 -0.5868 -0.4797 -0.4703 0.6577 0.6648 1.3951 1.4193 1.6397 1.6498 1.8234 1.8274 2.0384 2.0414 2.0856 2.0877 2.1280 2.1384 7.1800 7.2173 7.5887 7.6026 8.4514 8.4695 9.1477 9.1595 9.2381 9.2463 k = 0.6161-0.0670 0.4228 ( 17152 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4138 -15.4138 -13.4724 -13.4721 -13.2060 -13.1356 -13.0778 -13.0074 -12.9787 -12.9762 -4.2391 -4.2078 -2.8927 -2.8799 -2.8439 -2.8044 -1.1360 -1.1295 -0.9960 -0.9888 -0.8704 -0.8616 -0.6083 -0.5863 -0.4794 -0.4701 0.6577 0.6647 1.3956 1.4199 1.6387 1.6490 1.8240 1.8279 2.0386 2.0416 2.0854 2.0877 2.1279 2.1383 7.1800 7.2175 7.5887 7.6025 8.4512 8.4693 9.1480 9.1597 9.2377 9.2465 k = 0.6071-0.0619 0.4374 ( 17142 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4138 -15.4138 -13.4723 -13.4720 -13.2063 -13.1351 -13.0785 -13.0070 -12.9787 -12.9762 -4.2392 -4.2077 -2.8947 -2.8778 -2.8439 -2.8047 -1.1358 -1.1286 -0.9986 -0.9880 -0.8754 -0.8586 -0.6085 -0.5849 -0.4785 -0.4694 0.6575 0.6646 1.3972 1.4214 1.6360 1.6467 1.8255 1.8294 2.0392 2.0422 2.0848 2.0874 2.1275 2.1378 7.1800 7.2182 7.5886 7.6022 8.4505 8.4684 9.1489 9.1605 9.2367 9.2471 k = 0.5982-0.0567 0.4520 ( 17142 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4137 -15.4137 -13.4722 -13.4719 -13.2068 -13.1342 -13.0797 -13.0065 -12.9788 -12.9762 -4.2395 -4.2075 -2.8970 -2.8753 -2.8438 -2.8054 -1.1355 -1.1272 -1.0023 -0.9873 -0.8809 -0.8561 -0.6088 -0.5827 -0.4770 -0.4682 0.6573 0.6643 1.3999 1.4239 1.6316 1.6429 1.8280 1.8317 2.0403 2.0432 2.0839 2.0870 2.1269 2.1371 7.1801 7.2193 7.5886 7.6017 8.4494 8.4671 9.1505 9.1617 9.2351 9.2477 k = 0.5893-0.0515 0.4666 ( 17141 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4137 -15.4137 -13.4720 -13.4717 -13.2074 -13.1331 -13.0813 -13.0057 -12.9790 -12.9762 -4.2398 -4.2073 -2.8994 -2.8726 -2.8436 -2.8063 -1.1350 -1.1253 -1.0068 -0.9868 -0.8870 -0.8541 -0.6089 -0.5800 -0.4751 -0.4667 0.6569 0.6640 1.4037 1.4275 1.6257 1.6378 1.8312 1.8349 2.0418 2.0445 2.0828 2.0864 2.1260 2.1360 7.1802 7.2208 7.5885 7.6010 8.4479 8.4654 9.1525 9.1634 9.2331 9.2483 k = 0.5804-0.0464 0.4811 ( 17145 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4136 -15.4136 -13.4717 -13.4715 -13.2082 -13.1317 -13.0833 -13.0049 -12.9791 -12.9762 -4.2401 -4.2070 -2.9018 -2.8701 -2.8432 -2.8074 -1.1344 -1.1228 -1.0122 -0.9865 -0.8933 -0.8526 -0.6089 -0.5771 -0.4728 -0.4647 0.6565 0.6636 1.4085 1.4321 1.6185 1.6313 1.8349 1.8386 2.0437 2.0462 2.0815 2.0857 2.1249 2.1347 7.1804 7.2226 7.5884 7.6002 8.4461 8.4633 9.1552 9.1655 9.2308 9.2488 k = 0.5714-0.0412 0.4957 ( 17160 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4136 -15.4136 -13.4714 -13.4712 -13.2090 -13.1301 -13.0856 -13.0039 -12.9793 -12.9762 -4.2405 -4.2067 -2.9040 -2.8679 -2.8425 -2.8087 -1.1336 -1.1200 -1.0183 -0.9864 -0.8997 -0.8515 -0.6088 -0.5740 -0.4703 -0.4625 0.6561 0.6632 1.4143 1.4377 1.6103 1.6236 1.8390 1.8427 2.0458 2.0481 2.0802 2.0849 2.1233 2.1329 7.1806 7.2245 7.5883 7.5993 8.4442 8.4609 9.1583 9.1679 9.2281 9.2491 k = 0.5625-0.0361 0.5103 ( 17154 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4135 -15.4135 -13.4711 -13.4709 -13.2099 -13.1282 -13.0881 -13.0030 -12.9794 -12.9762 -4.2409 -4.2064 -2.9060 -2.8662 -2.8415 -2.8102 -1.1327 -1.1167 -1.0250 -0.9865 -0.9059 -0.8508 -0.6084 -0.5711 -0.4676 -0.4601 0.6556 0.6627 1.4210 1.4442 1.6012 1.6150 1.8433 1.8470 2.0480 2.0502 2.0791 2.0843 2.1214 2.1308 7.1809 7.2266 7.5882 7.5983 8.4421 8.4585 9.1618 9.1705 9.2251 9.2491 k = 0.5536-0.0309 0.5249 ( 17170 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4134 -15.4134 -13.4708 -13.4707 -13.2108 -13.1262 -13.0908 -13.0021 -12.9796 -12.9762 -4.2414 -4.2061 -2.9077 -2.8649 -2.8401 -2.8118 -1.1318 -1.1130 -1.0320 -0.9868 -0.9117 -0.8503 -0.6080 -0.5684 -0.4650 -0.4575 0.6552 0.6623 1.4287 1.4517 1.5915 1.6054 1.8475 1.8513 2.0501 2.0522 2.0783 2.0841 2.1191 2.1283 7.1813 7.2287 7.5883 7.5972 8.4400 8.4560 9.1658 9.1732 9.2217 9.2488 k = 0.5446-0.0258 0.5395 ( 17166 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4133 -15.4133 -13.4705 -13.4704 -13.2116 -13.1240 -13.0936 -13.0013 -12.9797 -12.9762 -4.2418 -4.2058 -2.9092 -2.8640 -2.8383 -2.8136 -1.1308 -1.1089 -1.0393 -0.9873 -0.9169 -0.8500 -0.6075 -0.5660 -0.4625 -0.4551 0.6548 0.6619 1.4371 1.4601 1.5812 1.5952 1.8516 1.8555 2.0518 2.0542 2.0781 2.0846 2.1163 2.1254 7.1817 7.2307 7.5884 7.5960 8.4380 8.4536 9.1700 9.1760 9.2181 9.2483 k = 0.5357-0.0206 0.5541 ( 17175 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4133 -15.4133 -13.4702 -13.4701 -13.2124 -13.1217 -13.0965 -13.0005 -12.9798 -12.9762 -4.2421 -4.2055 -2.9104 -2.8635 -2.8363 -2.8155 -1.1299 -1.1045 -1.0467 -0.9880 -0.9213 -0.8498 -0.6070 -0.5640 -0.4603 -0.4528 0.6544 0.6615 1.4462 1.4693 1.5707 1.5844 1.8554 1.8592 2.0530 2.0557 2.0789 2.0860 2.1130 2.1219 7.1821 7.2325 7.5886 7.5949 8.4361 8.4514 9.1744 9.1786 9.2143 9.2475 k = 0.5268-0.0155 0.5686 ( 17189 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4132 -15.4132 -13.4699 -13.4699 -13.2131 -13.1193 -13.0993 -13.0000 -12.9799 -12.9762 -4.2424 -4.2053 -2.9114 -2.8633 -2.8343 -2.8174 -1.1292 -1.0998 -1.0538 -0.9888 -0.9247 -0.8498 -0.6065 -0.5624 -0.4583 -0.4508 0.6541 0.6612 1.4554 1.4789 1.5603 1.5734 1.8587 1.8622 2.0537 2.0566 2.0808 2.0884 2.1092 2.1180 7.1825 7.2340 7.5889 7.5938 8.4346 8.4496 9.1788 9.1811 9.2102 9.2468 k = 0.5179-0.0103 0.5832 ( 17179 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7726 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4132 -15.4132 -13.4697 -13.4697 -13.2136 -13.1170 -13.1020 -12.9995 -12.9800 -12.9762 -4.2426 -4.2051 -2.9121 -2.8633 -2.8323 -2.8192 -1.1286 -1.0952 -1.0603 -0.9896 -0.9270 -0.8498 -0.6060 -0.5612 -0.4569 -0.4493 0.6539 0.6610 1.4642 1.4886 1.5508 1.5628 1.8615 1.8643 2.0542 2.0568 2.0840 2.0918 2.1050 2.1136 7.1829 7.2352 7.5893 7.5927 8.4334 8.4482 9.1819 9.1843 9.2060 9.2460 k = 0.5089-0.0052 0.5978 ( 17193 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7726 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4131 -15.4131 -13.4696 -13.4695 -13.2139 -13.1151 -13.1042 -12.9993 -12.9800 -12.9762 -4.2428 -4.2050 -2.9125 -2.8634 -2.8308 -2.8206 -1.1282 -1.0913 -1.0654 -0.9903 -0.9284 -0.8498 -0.6058 -0.5605 -0.4559 -0.4483 0.6538 0.6609 1.4711 1.4969 1.5434 1.5540 1.8637 1.8653 2.0545 2.0566 2.0878 2.0955 2.1010 2.1090 7.1831 7.2360 7.5898 7.5918 8.4326 8.4473 9.1832 9.1882 9.2022 9.2455 k = 0.5000-0.0000 0.6124 ( 17172 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7726 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4131 -15.4131 -13.4695 -13.4695 -13.2140 -13.1142 -13.1051 -12.9992 -12.9800 -12.9762 -4.2428 -4.2050 -2.9126 -2.8634 -2.8302 -2.8211 -1.1281 -1.0896 -1.0676 -0.9905 -0.9288 -0.8498 -0.6057 -0.5603 -0.4556 -0.4480 0.6538 0.6609 1.4739 1.5006 1.5404 1.5501 1.8650 1.8651 2.0548 2.0564 2.0904 2.0960 2.1004 2.1060 7.1832 7.2363 7.5902 7.5914 8.4323 8.4470 9.1837 9.1903 9.2002 9.2453 k = 0.5000-0.0000 0.6124 ( 17172 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7726 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4131 -15.4131 -13.4695 -13.4695 -13.2140 -13.1142 -13.1051 -12.9992 -12.9800 -12.9762 -4.2428 -4.2050 -2.9126 -2.8634 -2.8302 -2.8211 -1.1281 -1.0896 -1.0676 -0.9905 -0.9288 -0.8498 -0.6057 -0.5603 -0.4556 -0.4480 0.6538 0.6609 1.4739 1.5006 1.5404 1.5501 1.8650 1.8651 2.0548 2.0564 2.0904 2.0960 2.1004 2.1060 7.1832 7.2363 7.5902 7.5914 8.4323 8.4470 9.1837 9.1903 9.2002 9.2453 k = 0.5000 0.0107 0.5973 ( 17190 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7726 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4131 -15.4131 -13.4697 -13.4697 -13.2139 -13.1142 -13.1049 -12.9992 -12.9800 -12.9762 -4.2428 -4.2050 -2.9125 -2.8633 -2.8313 -2.8199 -1.1292 -1.0937 -1.0635 -0.9895 -0.9285 -0.8498 -0.6052 -0.5600 -0.4556 -0.4479 0.6532 0.6603 1.4738 1.5005 1.5405 1.5500 1.8619 1.8646 2.0541 2.0568 2.0858 2.0937 2.1036 2.1122 7.1839 7.2369 7.5888 7.5914 8.4321 8.4469 9.1830 9.1867 9.2044 9.2464 k = 0.5000 0.0214 0.5821 ( 17174 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4132 -15.4132 -13.4701 -13.4701 -13.2134 -13.1142 -13.1044 -12.9993 -12.9800 -12.9762 -4.2426 -4.2050 -2.9120 -2.8630 -2.8337 -2.8172 -1.1322 -1.1020 -1.0551 -0.9867 -0.9274 -0.8497 -0.6037 -0.5593 -0.4554 -0.4478 0.6515 0.6587 1.4733 1.5005 1.5409 1.5499 1.8553 1.8607 2.0529 2.0572 2.0796 2.0873 2.1134 2.1222 7.1860 7.2389 7.5860 7.5907 8.4316 8.4466 9.1804 9.1821 9.2119 9.2495 k = 0.5000 0.0321 0.5670 ( 17170 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4133 -15.4133 -13.4709 -13.4708 -13.2125 -13.1142 -13.1035 -12.9994 -12.9800 -12.9761 -4.2423 -4.2050 -2.9112 -2.8626 -2.8363 -2.8140 -1.1370 -1.1113 -1.0456 -0.9822 -0.9256 -0.8495 -0.6012 -0.5580 -0.4552 -0.4475 0.6486 0.6560 1.4725 1.5005 1.5415 1.5496 1.8459 1.8536 2.0515 2.0568 2.0737 2.0809 2.1253 2.1340 7.1895 7.2421 7.5819 7.5887 8.4306 8.4460 9.1755 9.1796 9.2203 9.2542 k = 0.5000 0.0428 0.5519 ( 17170 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4134 -15.4134 -13.4720 -13.4718 -13.2114 -13.1142 -13.1021 -12.9996 -12.9801 -12.9759 -4.2419 -4.2049 -2.9101 -2.8622 -2.8387 -2.8106 -1.1431 -1.1209 -1.0356 -0.9765 -0.9232 -0.8492 -0.5978 -0.5562 -0.4549 -0.4471 0.6447 0.6522 1.4714 1.5004 1.5424 1.5493 1.8343 1.8442 2.0496 2.0554 2.0678 2.0746 2.1388 2.1473 7.1943 7.2465 7.5768 7.5856 8.4293 8.4451 9.1710 9.1773 9.2291 9.2601 k = 0.5000 0.0535 0.5368 ( 17158 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4135 -15.4135 -13.4733 -13.4731 -13.2099 -13.1144 -13.1004 -12.9998 -12.9801 -12.9758 -4.2414 -4.2049 -2.9087 -2.8619 -2.8406 -2.8072 -1.1501 -1.1306 -1.0255 -0.9700 -0.9201 -0.8488 -0.5935 -0.5539 -0.4545 -0.4467 0.6397 0.6474 1.4701 1.5002 1.5434 1.5490 1.8212 1.8330 2.0472 2.0529 2.0618 2.0681 2.1538 2.1618 7.2005 7.2522 7.5707 7.5813 8.4277 8.4438 9.1675 9.1752 9.2382 9.2669 k = 0.5000 0.0642 0.5217 ( 17164 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4137 -15.4137 -13.4749 -13.4746 -13.2082 -13.1146 -13.0982 -13.0000 -12.9801 -12.9757 -4.2408 -4.2049 -2.9071 -2.8620 -2.8418 -2.8038 -1.1579 -1.1402 -1.0153 -0.9628 -0.9164 -0.8484 -0.5884 -0.5511 -0.4541 -0.4461 0.6337 0.6417 1.4687 1.5001 1.5446 1.5488 1.8070 1.8206 2.0442 2.0492 2.0557 2.0614 2.1696 2.1774 7.2079 7.2589 7.5638 7.5761 8.4257 8.4421 9.1649 9.1736 9.2476 9.2742 k = 0.5000 0.0748 0.5065 ( 17148 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4139 -15.4139 -13.4767 -13.4763 -13.2062 -13.1150 -13.0957 -13.0002 -12.9801 -12.9756 -4.2401 -4.2049 -2.9053 -2.8625 -2.8420 -2.8005 -1.1660 -1.1497 -1.0051 -0.9554 -0.9123 -0.8480 -0.5825 -0.5478 -0.4535 -0.4455 0.6267 0.6350 1.4671 1.4999 1.5456 1.5489 1.7923 1.8075 2.0403 2.0444 2.0494 2.0545 2.1861 2.1935 7.2164 7.2667 7.5561 7.5698 8.4234 8.4399 9.1635 9.1727 9.2571 9.2819 k = 0.5000 0.0855 0.4914 ( 17144 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4142 -15.4142 -13.4787 -13.4781 -13.2040 -13.1155 -13.0928 -13.0005 -12.9801 -12.9755 -4.2393 -4.2049 -2.9033 -2.8636 -2.8412 -2.7973 -1.1743 -1.1590 -0.9949 -0.9477 -0.9077 -0.8476 -0.5760 -0.5441 -0.4529 -0.4447 0.6189 0.6274 1.4656 1.4997 1.5461 1.5497 1.7773 1.7942 2.0357 2.0385 2.0430 2.0472 2.2030 2.2101 7.2261 7.2754 7.5479 7.5628 8.4207 8.4374 9.1630 9.1725 9.2668 9.2899 k = 0.5000 0.0962 0.4763 ( 17152 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4144 -15.4144 -13.4809 -13.4802 -13.2016 -13.1161 -13.0896 -13.0007 -12.9801 -12.9755 -4.2385 -4.2049 -2.9013 -2.8652 -2.8395 -2.7942 -1.1827 -1.1681 -0.9846 -0.9400 -0.9029 -0.8471 -0.5690 -0.5399 -0.4521 -0.4440 0.6102 0.6190 1.4640 1.4995 1.5463 1.5511 1.7625 1.7808 2.0299 2.0321 2.0363 2.0396 2.2200 2.2268 7.2367 7.2850 7.5392 7.5550 8.4178 8.4344 9.1637 9.1731 9.2765 9.2981 k = 0.5000 0.1069 0.4612 ( 17150 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4147 -15.4147 -13.4831 -13.4823 -13.1990 -13.1169 -13.0861 -13.0010 -12.9801 -12.9756 -4.2375 -4.2049 -2.8992 -2.8669 -2.8372 -2.7912 -1.1909 -1.1770 -0.9744 -0.9323 -0.8979 -0.8467 -0.5616 -0.5353 -0.4512 -0.4431 0.6008 0.6099 1.4625 1.4992 1.5464 1.5528 1.7479 1.7677 2.0227 2.0255 2.0293 2.0318 2.2369 2.2434 7.2482 7.2953 7.5301 7.5467 8.4146 8.4310 9.1653 9.1745 9.2863 9.3063 k = 0.5000 0.1176 0.4460 ( 17150 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4150 -15.4150 -13.4854 -13.4845 -13.1962 -13.1177 -13.0824 -13.0013 -12.9801 -12.9757 -4.2365 -4.2050 -2.8971 -2.8688 -2.8343 -2.7884 -1.1989 -1.1856 -0.9643 -0.9247 -0.8928 -0.8463 -0.5540 -0.5305 -0.4502 -0.4421 0.5909 0.6002 1.4612 1.4989 1.5466 1.5548 1.7339 1.7550 2.0147 2.0185 2.0220 2.0236 2.2535 2.2597 7.2604 7.3063 7.5209 7.5379 8.4112 8.4272 9.1679 9.1766 9.2959 9.3145 k = 0.5000 0.1283 0.4309 ( 17146 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4153 -15.4152 -13.4878 -13.4868 -13.1934 -13.1187 -13.0785 -13.0016 -12.9801 -12.9759 -4.2353 -4.2051 -2.8950 -2.8706 -2.8309 -2.7857 -1.2066 -1.1938 -0.9542 -0.9172 -0.8878 -0.8459 -0.5461 -0.5254 -0.4491 -0.4411 0.5804 0.5900 1.4601 1.4986 1.5470 1.5567 1.7206 1.7427 2.0061 2.0111 2.0145 2.0151 2.2698 2.2756 7.2732 7.3176 7.5116 7.5288 8.4076 8.4231 9.1713 9.1794 9.3054 9.3226 k = 0.5000 0.1390 0.4158 ( 17148 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3747 -31.3746 -15.4155 -15.4155 -13.4902 -13.4891 -13.1904 -13.1198 -13.0745 -13.0019 -12.9801 -12.9762 -4.2342 -4.2053 -2.8930 -2.8724 -2.8273 -2.7832 -1.2140 -1.2018 -0.9442 -0.9098 -0.8829 -0.8455 -0.5383 -0.5203 -0.4477 -0.4400 0.5696 0.5793 1.4592 1.4983 1.5476 1.5587 1.7081 1.7312 1.9972 2.0031 2.0062 2.0069 2.2854 2.2910 7.2864 7.3293 7.5023 7.5195 8.4039 8.4188 9.1754 9.1828 9.3147 9.3305 k = 0.5000 0.1497 0.4007 ( 17136 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3747 -31.3746 -15.4158 -15.4158 -13.4925 -13.4914 -13.1873 -13.1210 -13.0703 -13.0022 -12.9801 -12.9765 -4.2329 -4.2055 -2.8911 -2.8740 -2.8234 -2.7809 -1.2210 -1.2093 -0.9343 -0.9026 -0.8783 -0.8452 -0.5307 -0.5151 -0.4461 -0.4388 0.5585 0.5684 1.4586 1.4979 1.5486 1.5607 1.6966 1.7202 1.9882 1.9948 1.9972 1.9991 2.3005 2.3057 7.3000 7.3411 7.4932 7.5102 8.4001 8.4144 9.1801 9.1866 9.3237 9.3381 k = 0.5000 0.1604 0.3856 ( 17142 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3747 -31.3746 -15.4161 -15.4161 -13.4948 -13.4937 -13.1842 -13.1223 -13.0661 -13.0025 -12.9801 -12.9769 -4.2316 -4.2058 -2.8893 -2.8755 -2.8194 -2.7789 -1.2275 -1.2165 -0.9247 -0.8956 -0.8739 -0.8449 -0.5233 -0.5101 -0.4443 -0.4375 0.5475 0.5573 1.4583 1.4974 1.5500 1.5625 1.6861 1.7101 1.9792 1.9861 1.9883 1.9911 2.3148 2.3197 7.3137 7.3528 7.4844 7.5010 8.3962 8.4098 9.1853 9.1909 9.3322 9.3454 k = 0.5000 0.1711 0.3704 ( 17134 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3746 -31.3746 -15.4164 -15.4164 -13.4970 -13.4959 -13.1810 -13.1237 -13.0618 -13.0029 -12.9802 -12.9774 -4.2303 -4.2061 -2.8877 -2.8768 -2.8152 -2.7770 -1.2336 -1.2232 -0.9152 -0.8888 -0.8699 -0.8447 -0.5164 -0.5054 -0.4421 -0.4360 0.5365 0.5462 1.4584 1.4968 1.5517 1.5642 1.6767 1.7006 1.9702 1.9769 1.9799 1.9830 2.3282 2.3328 7.3274 7.3644 7.4760 7.4920 8.3925 8.4052 9.1909 9.1954 9.3404 9.3523 k = 0.5000 0.1818 0.3553 ( 17132 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3746 -31.3746 -15.4167 -15.4167 -13.4991 -13.4980 -13.1778 -13.1253 -13.0574 -13.0034 -12.9802 -12.9779 -4.2289 -4.2066 -2.8863 -2.8779 -2.8110 -2.7754 -1.2392 -1.2295 -0.9061 -0.8824 -0.8661 -0.8445 -0.5100 -0.5011 -0.4396 -0.4343 0.5258 0.5353 1.4588 1.4960 1.5537 1.5657 1.6685 1.6919 1.9615 1.9676 1.9719 1.9749 2.3408 2.3450 7.3409 7.3755 7.4681 7.4833 8.3888 8.4007 9.1965 9.2000 9.3480 9.3587 k = 0.5000 0.1925 0.3402 ( 17138 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3746 -31.3746 -15.4170 -15.4170 -13.5011 -13.5000 -13.1746 -13.1270 -13.0531 -13.0041 -12.9803 -12.9784 -4.2275 -4.2071 -2.8851 -2.8788 -2.8068 -2.7741 -1.2442 -1.2353 -0.8974 -0.8764 -0.8627 -0.8444 -0.5043 -0.4974 -0.4368 -0.4325 0.5155 0.5246 1.4596 1.4951 1.5561 1.5670 1.6614 1.6840 1.9531 1.9583 1.9643 1.9671 2.3523 2.3562 7.3539 7.3861 7.4608 7.4750 8.3853 8.3963 9.2021 9.2046 9.3551 9.3646 k = 0.5000 0.2031 0.3251 ( 17136 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3746 -31.3746 -15.4172 -15.4172 -13.5029 -13.5019 -13.1713 -13.1288 -13.0489 -13.0048 -12.9804 -12.9790 -4.2261 -4.2076 -2.8841 -2.8796 -2.8026 -2.7731 -1.2486 -1.2406 -0.8891 -0.8710 -0.8595 -0.8443 -0.4994 -0.4942 -0.4338 -0.4304 0.5058 0.5145 1.4607 1.4940 1.5587 1.5681 1.6555 1.6768 1.9451 1.9494 1.9571 1.9595 2.3629 2.3663 7.3664 7.3959 7.4542 7.4673 8.3821 8.3921 9.2074 9.2090 9.3615 9.3697 k = 0.5000 0.2138 0.3100 ( 17140 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3746 -31.3746 -15.4175 -15.4175 -13.5045 -13.5036 -13.1682 -13.1307 -13.0447 -13.0058 -12.9805 -12.9795 -4.2247 -4.2083 -2.8832 -2.8802 -2.7986 -2.7724 -1.2526 -1.2454 -0.8813 -0.8662 -0.8566 -0.8443 -0.4953 -0.4916 -0.4307 -0.4282 0.4970 0.5049 1.4622 1.4927 1.5615 1.5691 1.6508 1.6703 1.9376 1.9409 1.9505 1.9523 2.3723 2.3754 7.3780 7.4046 7.4483 7.4603 8.3792 8.3881 9.2122 9.2133 9.3672 9.3740 k = 0.5000 0.2245 0.2948 ( 17126 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3746 -31.3746 -15.4177 -15.4177 -13.5060 -13.5051 -13.1650 -13.1328 -13.0406 -13.0069 -12.9806 -12.9799 -4.2233 -4.2091 -2.8826 -2.8806 -2.7947 -2.7720 -1.2559 -1.2497 -0.8742 -0.8622 -0.8540 -0.8443 -0.4920 -0.4895 -0.4276 -0.4259 0.4890 0.4962 1.4639 1.4911 1.5642 1.5699 1.6470 1.6646 1.9308 1.9332 1.9444 1.9458 2.3806 2.3833 7.3887 7.4121 7.4435 7.4541 8.3766 8.3844 9.2163 9.2173 9.3721 9.3774 k = 0.5000 0.2352 0.2797 ( 17126 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3746 -31.3746 -15.4178 -15.4178 -13.5072 -13.5065 -13.1619 -13.1349 -13.0366 -13.0083 -12.9808 -12.9804 -4.2219 -4.2099 -2.8821 -2.8809 -2.7910 -2.7719 -1.2586 -1.2534 -0.8678 -0.8589 -0.8516 -0.8444 -0.4894 -0.4878 -0.4246 -0.4236 0.4821 0.4884 1.4659 1.4894 1.5669 1.5707 1.6443 1.6595 1.9247 1.9264 1.9391 1.9400 2.3878 2.3900 7.3982 7.4180 7.4399 7.4487 8.3745 8.3811 9.2196 9.2208 9.3760 9.3797 k = 0.5000 0.2459 0.2646 ( 17126 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3746 -31.3746 -15.4180 -15.4180 -13.5082 -13.5076 -13.1588 -13.1372 -13.0328 -13.0100 -12.9809 -12.9807 -4.2205 -4.2108 -2.8817 -2.8811 -2.7876 -2.7722 -1.2608 -1.2566 -0.8622 -0.8562 -0.8496 -0.8445 -0.4875 -0.4866 -0.4220 -0.4215 0.4764 0.4816 1.4681 1.4874 1.5692 1.5714 1.6424 1.6551 1.9194 1.9206 1.9346 1.9350 2.3937 2.3955 7.4062 7.4219 7.4378 7.4444 8.3728 8.3782 9.2223 9.2236 9.3786 9.3809 k = 0.5000 0.2566 0.2495 ( 17122 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3746 -31.3746 -15.4181 -15.4181 -13.5090 -13.5085 -13.1558 -13.1396 -13.0291 -13.0119 -12.9810 -12.9809 -4.2191 -4.2118 -2.8815 -2.8812 -2.7845 -2.7728 -1.2624 -1.2592 -0.8576 -0.8542 -0.8483 -0.8446 -0.4861 -0.4857 -0.4199 -0.4197 0.4721 0.4761 1.4704 1.4852 1.5711 1.5722 1.6414 1.6513 1.9152 1.9159 1.9309 1.9311 2.3984 2.3997 7.4125 7.4233 7.4376 7.4413 8.3716 8.3757 9.2244 9.2256 9.3797 9.3815 k = 0.5000 0.2673 0.2344 ( 17128 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3746 -31.3746 -15.4182 -15.4182 -13.5095 -13.5092 -13.1529 -13.1420 -13.0257 -13.0142 -12.9811 -12.9811 -4.2177 -4.2129 -2.8813 -2.8813 -2.7816 -2.7738 -1.2633 -1.2612 -0.8540 -0.8527 -0.8474 -0.8448 -0.4853 -0.4851 -0.4183 -0.4182 0.4691 0.4718 1.4729 1.4829 1.5725 1.5728 1.6413 1.6480 1.9121 1.9126 1.9282 1.9283 2.4018 2.4027 7.4170 7.4232 7.4382 7.4396 8.3710 8.3737 9.2259 9.2269 9.3797 9.3815 k = 0.5000 0.2780 0.2192 ( 17128 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3746 -31.3746 -15.4182 -15.4182 -13.5098 -13.5096 -13.1501 -13.1446 -13.0224 -13.0167 -12.9812 -12.9812 -4.2164 -4.2140 -2.8813 -2.8813 -2.7791 -2.7752 -1.2637 -1.2626 -0.8519 -0.8516 -0.8468 -0.8452 -0.4848 -0.4847 -0.4173 -0.4173 0.4676 0.4689 1.4754 1.4804 1.5732 1.5733 1.6419 1.6454 1.9102 1.9104 1.9266 1.9266 2.4039 2.4044 7.4198 7.4224 7.4388 7.4390 8.3708 8.3722 9.2270 9.2275 9.3798 9.3809 k = 0.5000 0.2887 0.2041 ( 17070 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3746 -31.3746 -15.4183 -15.4183 -13.5098 -13.5098 -13.1473 -13.1473 -13.0194 -13.0194 -12.9812 -12.9812 -4.2152 -4.2152 -2.8813 -2.8813 -2.7770 -2.7770 -1.2635 -1.2635 -0.8512 -0.8512 -0.8459 -0.8459 -0.4846 -0.4846 -0.4170 -0.4170 0.4675 0.4675 1.4779 1.4779 1.5735 1.5735 1.6433 1.6433 1.9096 1.9096 1.9260 1.9260 2.4048 2.4048 7.4214 7.4214 7.4390 7.4390 8.3713 8.3713 9.2275 9.2275 9.3802 9.3802 k = 0.5000 0.2887 0.2041 ( 17070 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3746 -31.3746 -15.4183 -15.4183 -13.5098 -13.5098 -13.1473 -13.1473 -13.0194 -13.0194 -12.9812 -12.9812 -4.2152 -4.2152 -2.8813 -2.8813 -2.7770 -2.7770 -1.2635 -1.2635 -0.8512 -0.8512 -0.8459 -0.8459 -0.4846 -0.4846 -0.4170 -0.4170 0.4675 0.4675 1.4779 1.4779 1.5735 1.5735 1.6433 1.6433 1.9096 1.9096 1.9260 1.9260 2.4048 2.4048 7.4214 7.4214 7.4390 7.4390 8.3713 8.3713 9.2275 9.2275 9.3802 9.3802 k = 0.4948 0.2857 0.2211 ( 17133 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3746 -31.3746 -15.4182 -15.4182 -13.5098 -13.5096 -13.1500 -13.1447 -13.0224 -13.0167 -12.9812 -12.9812 -4.2164 -4.2140 -2.8813 -2.8813 -2.7791 -2.7753 -1.2637 -1.2626 -0.8518 -0.8516 -0.8467 -0.8452 -0.4848 -0.4847 -0.4173 -0.4173 0.4675 0.4689 1.4755 1.4804 1.5733 1.5733 1.6419 1.6453 1.9101 1.9104 1.9266 1.9266 2.4040 2.4044 7.4198 7.4224 7.4389 7.4390 8.3708 8.3722 9.2270 9.2275 9.3798 9.3809 k = 0.4896 0.2827 0.2381 ( 17131 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3746 -31.3746 -15.4182 -15.4182 -13.5095 -13.5092 -13.1528 -13.1422 -13.0255 -13.0143 -12.9811 -12.9811 -4.2177 -4.2129 -2.8813 -2.8813 -2.7815 -2.7739 -1.2634 -1.2613 -0.8538 -0.8528 -0.8473 -0.8448 -0.4852 -0.4851 -0.4183 -0.4182 0.4690 0.4716 1.4730 1.4828 1.5726 1.5727 1.6413 1.6479 1.9119 1.9124 1.9282 1.9282 2.4019 2.4028 7.4172 7.4232 7.4384 7.4395 8.3709 8.3736 9.2260 9.2270 9.3798 9.3814 k = 0.4844 0.2797 0.2552 ( 17125 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3746 -31.3746 -15.4181 -15.4181 -13.5090 -13.5086 -13.1556 -13.1397 -13.0289 -13.0121 -12.9810 -12.9810 -4.2190 -4.2119 -2.8813 -2.8813 -2.7842 -2.7729 -1.2625 -1.2593 -0.8570 -0.8547 -0.8476 -0.8449 -0.4861 -0.4857 -0.4198 -0.4195 0.4718 0.4757 1.4706 1.4850 1.5716 1.5719 1.6414 1.6510 1.9149 1.9156 1.9308 1.9308 2.3987 2.4000 7.4130 7.4232 7.4380 7.4409 8.3716 8.3755 9.2245 9.2258 9.3799 9.3813 k = 0.4792 0.2766 0.2722 ( 17129 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3746 -31.3746 -15.4180 -15.4180 -13.5083 -13.5077 -13.1585 -13.1374 -13.0324 -13.0102 -12.9809 -12.9808 -4.2203 -4.2109 -2.8814 -2.8814 -2.7873 -2.7722 -1.2610 -1.2569 -0.8612 -0.8574 -0.8479 -0.8453 -0.4873 -0.4865 -0.4218 -0.4213 0.4759 0.4810 1.4683 1.4872 1.5701 1.5708 1.6424 1.6545 1.9191 1.9199 1.9343 1.9344 2.3942 2.3960 7.4071 7.4216 7.4385 7.4436 8.3727 8.3779 9.2225 9.2238 9.3797 9.3800 k = 0.4740 0.2736 0.2892 ( 17126 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3746 -31.3746 -15.4179 -15.4179 -13.5073 -13.5066 -13.1615 -13.1352 -13.0361 -13.0085 -12.9807 -12.9805 -4.2217 -4.2100 -2.8815 -2.8815 -2.7906 -2.7719 -1.2590 -1.2538 -0.8662 -0.8608 -0.8483 -0.8459 -0.4891 -0.4877 -0.4244 -0.4233 0.4813 0.4874 1.4661 1.4891 1.5683 1.5697 1.6443 1.6586 1.9244 1.9252 1.9388 1.9390 2.3886 2.3907 7.3995 7.4179 7.4407 7.4474 8.3743 8.3807 9.2200 9.2211 9.3775 9.3787 k = 0.4688 0.2706 0.3062 ( 17131 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3746 -31.3746 -15.4177 -15.4177 -13.5062 -13.5053 -13.1645 -13.1331 -13.0400 -13.0071 -12.9805 -12.9802 -4.2230 -4.2092 -2.8816 -2.8816 -2.7941 -2.7719 -1.2564 -1.2503 -0.8720 -0.8651 -0.8488 -0.8467 -0.4915 -0.4893 -0.4272 -0.4254 0.4879 0.4949 1.4640 1.4909 1.5663 1.5685 1.6471 1.6632 1.9305 1.9313 1.9441 1.9443 2.3818 2.3844 7.3906 7.4121 7.4444 7.4522 8.3763 8.3839 9.2170 9.2177 9.3740 9.3765 k = 0.4635 0.2676 0.3232 ( 17128 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3746 -31.3746 -15.4175 -15.4175 -13.5048 -13.5039 -13.1676 -13.1311 -13.0439 -13.0060 -12.9803 -12.9798 -4.2244 -4.2085 -2.8817 -2.8817 -2.7979 -2.7723 -1.2532 -1.2462 -0.8785 -0.8702 -0.8493 -0.8477 -0.4946 -0.4913 -0.4303 -0.4276 0.4955 0.5033 1.4621 1.4924 1.5641 1.5675 1.6509 1.6683 1.9375 1.9383 1.9501 1.9504 2.3739 2.3769 7.3805 7.4048 7.4493 7.4580 8.3787 8.3874 9.2135 9.2135 9.3695 9.3733 k = 0.4583 0.2646 0.3402 ( 17130 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3746 -31.3746 -15.4173 -15.4173 -13.5033 -13.5023 -13.1707 -13.1292 -13.0479 -13.0051 -12.9801 -12.9793 -4.2258 -4.2078 -2.8818 -2.8818 -2.8018 -2.7729 -1.2495 -1.2417 -0.8855 -0.8762 -0.8500 -0.8487 -0.4985 -0.4939 -0.4335 -0.4297 0.5040 0.5125 1.4604 1.4937 1.5619 1.5666 1.6557 1.6739 1.9452 1.9459 1.9567 1.9570 2.3649 2.3683 7.3695 7.3963 7.4550 7.4646 8.3815 8.3913 9.2087 9.2096 9.3643 9.3692 k = 0.4531 0.2616 0.3572 ( 17124 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3746 -31.3746 -15.4170 -15.4170 -13.5015 -13.5005 -13.1738 -13.1275 -13.0520 -13.0044 -12.9799 -12.9789 -4.2272 -4.2072 -2.8820 -2.8819 -2.8058 -2.7738 -1.2452 -1.2366 -0.8929 -0.8828 -0.8507 -0.8498 -0.5031 -0.4971 -0.4367 -0.4317 0.5133 0.5223 1.4587 1.4947 1.5599 1.5661 1.6615 1.6800 1.9534 1.9541 1.9639 1.9641 2.3548 2.3586 7.3576 7.3867 7.4615 7.4718 8.3847 8.3954 9.2034 9.2054 9.3584 9.3642 k = 0.4479 0.2586 0.3742 ( 17120 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3746 -31.3746 -15.4168 -15.4168 -13.4997 -13.4986 -13.1768 -13.1260 -13.0560 -13.0039 -12.9798 -12.9784 -4.2285 -4.2068 -2.8821 -2.8821 -2.8099 -2.7750 -1.2405 -1.2311 -0.9008 -0.8900 -0.8516 -0.8510 -0.5084 -0.5010 -0.4397 -0.4335 0.5232 0.5326 1.4571 1.4953 1.5582 1.5659 1.6682 1.6867 1.9619 1.9627 1.9714 1.9715 2.3437 2.3479 7.3451 7.3762 7.4687 7.4797 8.3881 8.3998 9.1978 9.2010 9.3519 9.3586 k = 0.4427 0.2556 0.3912 ( 17133 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3746 -31.3746 -15.4165 -15.4165 -13.4977 -13.4965 -13.1799 -13.1246 -13.0600 -13.0036 -12.9796 -12.9779 -4.2298 -4.2064 -2.8824 -2.8823 -2.8140 -2.7764 -1.2352 -1.2251 -0.9089 -0.8978 -0.8525 -0.8523 -0.5144 -0.5055 -0.4425 -0.4352 0.5337 0.5433 1.4554 1.4953 1.5570 1.5663 1.6759 1.6940 1.9705 1.9718 1.9788 1.9796 2.3317 2.3362 7.3321 7.3651 7.4765 7.4881 8.3918 8.4044 9.1920 9.1966 9.3449 9.3523 k = 0.4375 0.2526 0.4082 ( 17135 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3746 -31.3746 -15.4162 -15.4162 -13.4955 -13.4944 -13.1829 -13.1234 -13.0638 -13.0034 -12.9794 -12.9775 -4.2311 -4.2060 -2.8827 -2.8824 -2.8180 -2.7780 -1.2294 -1.2188 -0.9172 -0.9059 -0.8536 -0.8535 -0.5210 -0.5107 -0.4450 -0.4368 0.5444 0.5543 1.4537 1.4947 1.5567 1.5674 1.6845 1.7020 1.9790 1.9812 1.9862 1.9881 2.3187 2.3236 7.3189 7.3534 7.4847 7.4970 8.3958 8.4091 9.1862 9.1921 9.3375 9.3455 k = 0.4323 0.2496 0.4253 ( 17130 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3747 -31.3746 -15.4160 -15.4160 -13.4933 -13.4922 -13.1859 -13.1225 -13.0674 -13.0033 -12.9792 -12.9771 -4.2323 -4.2058 -2.8830 -2.8825 -2.8219 -2.7798 -1.2232 -1.2120 -0.9256 -0.9144 -0.8549 -0.8545 -0.5280 -0.5165 -0.4474 -0.4383 0.5554 0.5653 1.4519 1.4932 1.5574 1.5691 1.6940 1.7105 1.9872 1.9906 1.9937 1.9971 2.3049 2.3102 7.3055 7.3414 7.4934 7.5062 8.3999 8.4140 9.1805 9.1876 9.3297 9.3382 k = 0.4271 0.2466 0.4423 ( 17132 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3747 -31.3746 -15.4157 -15.4157 -13.4911 -13.4900 -13.1887 -13.1219 -13.0708 -13.0034 -12.9791 -12.9767 -4.2334 -4.2057 -2.8835 -2.8827 -2.8257 -2.7817 -1.2165 -1.2049 -0.9339 -0.9232 -0.8563 -0.8555 -0.5353 -0.5227 -0.4497 -0.4400 0.5665 0.5763 1.4497 1.4909 1.5592 1.5717 1.7042 1.7197 1.9948 1.9992 2.0019 2.0065 2.2903 2.2959 7.2921 7.3292 7.5024 7.5156 8.4041 8.4190 9.1750 9.1834 9.3216 9.3306 k = 0.4219 0.2436 0.4593 ( 17138 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3747 -31.3746 -15.4154 -15.4154 -13.4888 -13.4878 -13.1915 -13.1217 -13.0737 -13.0035 -12.9790 -12.9764 -4.2345 -4.2056 -2.8840 -2.8828 -2.8292 -2.7838 -1.2094 -1.1975 -0.9422 -0.9320 -0.8577 -0.8566 -0.5429 -0.5292 -0.4519 -0.4417 0.5775 0.5872 1.4472 1.4875 1.5623 1.5751 1.7151 1.7294 2.0019 2.0061 2.0115 2.0162 2.2749 2.2808 7.2788 7.3168 7.5116 7.5253 8.4085 8.4240 9.1699 9.1793 9.3132 9.3226 k = 0.4167 0.2406 0.4763 ( 17129 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4151 -15.4151 -13.4865 -13.4856 -13.1941 -13.1219 -13.0762 -13.0037 -12.9788 -12.9762 -4.2354 -4.2056 -2.8846 -2.8828 -2.8324 -2.7859 -1.2019 -1.1898 -0.9502 -0.9408 -0.8590 -0.8577 -0.5506 -0.5359 -0.4541 -0.4436 0.5884 0.5978 1.4441 1.4833 1.5666 1.5795 1.7266 1.7397 2.0082 2.0121 2.0216 2.0261 2.2588 2.2651 7.2658 7.3045 7.5209 7.5349 8.4130 8.4292 9.1651 9.1755 9.3047 9.3143 k = 0.4115 0.2376 0.4933 ( 17134 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4149 -15.4149 -13.4842 -13.4834 -13.1965 -13.1225 -13.0782 -13.0040 -12.9787 -12.9760 -4.2363 -4.2057 -2.8854 -2.8828 -2.8352 -2.7882 -1.1941 -1.1820 -0.9578 -0.9495 -0.8604 -0.8587 -0.5584 -0.5428 -0.4564 -0.4457 0.5989 0.6081 1.4406 1.4780 1.5722 1.5849 1.7387 1.7505 2.0139 2.0175 2.0317 2.0361 2.2421 2.2488 7.2531 7.2923 7.5303 7.5446 8.4176 8.4343 9.1609 9.1721 9.2960 9.3058 k = 0.4062 0.2345 0.5103 ( 17134 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4146 -15.4146 -13.4821 -13.4813 -13.1987 -13.1235 -13.0796 -13.0044 -12.9787 -12.9759 -4.2371 -4.2059 -2.8862 -2.8828 -2.8377 -2.7905 -1.1860 -1.1740 -0.9650 -0.9579 -0.8617 -0.8598 -0.5661 -0.5496 -0.4589 -0.4481 0.6091 0.6180 1.4363 1.4720 1.5789 1.5913 1.7511 1.7616 2.0190 2.0223 2.0418 2.0460 2.2249 2.2319 7.2409 7.2804 7.5396 7.5541 8.4222 8.4395 9.1571 9.1689 9.2873 9.2972 k = 0.4010 0.2315 0.5273 ( 17136 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4144 -15.4144 -13.4800 -13.4793 -13.2007 -13.1250 -13.0805 -13.0047 -12.9786 -12.9759 -4.2377 -4.2061 -2.8872 -2.8827 -2.8397 -2.7928 -1.1777 -1.1660 -0.9715 -0.9659 -0.8629 -0.8607 -0.5737 -0.5564 -0.4615 -0.4508 0.6188 0.6274 1.4314 1.4651 1.5868 1.5988 1.7638 1.7730 2.0233 2.0265 2.0518 2.0558 2.2073 2.2147 7.2292 7.2688 7.5487 7.5633 8.4269 8.4446 9.1540 9.1661 9.2786 9.2885 k = 0.3958 0.2285 0.5443 ( 17134 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3748 -31.3747 -31.3747 -31.3747 -15.4142 -15.4142 -13.4781 -13.4775 -13.2024 -13.1269 -13.0807 -13.0052 -12.9786 -12.9759 -4.2382 -4.2063 -2.8882 -2.8825 -2.8414 -2.7952 -1.1692 -1.1581 -0.9773 -0.9734 -0.8640 -0.8616 -0.5811 -0.5630 -0.4645 -0.4539 0.6279 0.6363 1.4257 1.4574 1.5956 1.6072 1.7766 1.7846 2.0271 2.0301 2.0614 2.0653 2.1894 2.1973 7.2180 7.2575 7.5576 7.5722 8.4317 8.4497 9.1515 9.1638 9.2700 9.2798 k = 0.3906 0.2255 0.5613 ( 17130 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3748 -31.3747 -31.3747 -31.3747 -15.4140 -15.4140 -13.4763 -13.4758 -13.2038 -13.1289 -13.0805 -13.0057 -12.9785 -12.9760 -4.2386 -4.2067 -2.8892 -2.8822 -2.8426 -2.7975 -1.1607 -1.1503 -0.9822 -0.9803 -0.8651 -0.8624 -0.5883 -0.5694 -0.4678 -0.4574 0.6365 0.6445 1.4193 1.4490 1.6054 1.6166 1.7892 1.7961 2.0303 2.0332 2.0706 2.0741 2.1715 2.1800 7.2075 7.2467 7.5662 7.5807 8.4365 8.4547 9.1496 9.1619 9.2616 9.2711 k = 0.3854 0.2225 0.5784 ( 17140 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3748 -31.3747 -31.3747 -31.3747 -15.4139 -15.4139 -13.4748 -13.4744 -13.2049 -13.1312 -13.0799 -13.0062 -12.9785 -12.9761 -4.2389 -4.2070 -2.8902 -2.8819 -2.8434 -2.7998 -1.1523 -1.1430 -0.9863 -0.9859 -0.8659 -0.8631 -0.5953 -0.5755 -0.4714 -0.4613 0.6443 0.6520 1.4120 1.4398 1.6161 1.6269 1.8014 1.8072 2.0331 2.0360 2.0789 2.0819 2.1541 2.1633 7.1976 7.2364 7.5743 7.5886 8.4414 8.4597 9.1484 9.1606 9.2534 9.2627 k = 0.3802 0.2195 0.5954 ( 17148 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3748 -31.3747 -31.3747 -31.3747 -15.4138 -15.4138 -13.4735 -13.4731 -13.2056 -13.1334 -13.0790 -13.0067 -12.9785 -12.9762 -4.2390 -4.2074 -2.8911 -2.8814 -2.8438 -2.8021 -1.1440 -1.1361 -0.9913 -0.9883 -0.8667 -0.8636 -0.6019 -0.5813 -0.4754 -0.4656 0.6514 0.6588 1.4039 1.4299 1.6276 1.6380 1.8129 1.8177 2.0356 2.0386 2.0850 2.0873 2.1385 2.1486 7.1884 7.2265 7.5818 7.5960 8.4463 8.4647 9.1478 9.1597 9.2456 9.2544 k = 0.3750 0.2165 0.6124 ( 17146 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3748 -31.3747 -31.3747 -31.3747 -15.4138 -15.4138 -13.4724 -13.4721 -13.2060 -13.1357 -13.0777 -13.0073 -12.9785 -12.9764 -4.2390 -4.2079 -2.8919 -2.8808 -2.8439 -2.8042 -1.1361 -1.1299 -0.9950 -0.9892 -0.8672 -0.8639 -0.6082 -0.5868 -0.4797 -0.4703 0.6577 0.6648 1.3951 1.4193 1.6397 1.6498 1.8234 1.8273 2.0382 2.0413 2.0856 2.0877 2.1282 2.1386 7.1800 7.2173 7.5887 7.6026 8.4514 8.4695 9.1477 9.1594 9.2381 9.2464 k = 0.6250-0.0722 0.4082 ( 17146 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4138 -15.4138 -13.4725 -13.4721 -13.2059 -13.1357 -13.0776 -13.0075 -12.9787 -12.9762 -4.2390 -4.2079 -2.8919 -2.8808 -2.8439 -2.8042 -1.1360 -1.1298 -0.9950 -0.9892 -0.8673 -0.8641 -0.6082 -0.5868 -0.4797 -0.4703 0.6577 0.6648 1.3951 1.4193 1.6397 1.6498 1.8234 1.8274 2.0384 2.0414 2.0856 2.0877 2.1280 2.1384 7.1800 7.2173 7.5887 7.6026 8.4514 8.4695 9.1477 9.1595 9.2381 9.2463 k = 0.6161-0.0876 0.4082 ( 17136 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4138 -15.4138 -13.4710 -13.4707 -13.2060 -13.1395 -13.0751 -13.0085 -12.9787 -12.9766 -4.2388 -4.2087 -2.8929 -2.8795 -2.8438 -2.8080 -1.1222 -1.1196 -1.0003 -0.9888 -0.8680 -0.8644 -0.6193 -0.5966 -0.4876 -0.4789 0.6678 0.6744 1.3794 1.4010 1.6610 1.6706 1.8398 1.8424 2.0426 2.0458 2.0792 2.0822 2.1177 2.1274 7.1662 7.2019 7.5997 7.6130 8.4606 8.4782 9.1477 9.1591 9.2258 9.2328 k = 0.6071-0.1031 0.4082 ( 17142 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4138 -15.4138 -13.4696 -13.4694 -13.2059 -13.1433 -13.0725 -13.0097 -12.9788 -12.9770 -4.2385 -4.2096 -2.8936 -2.8782 -2.8437 -2.8119 -1.1093 -1.1071 -1.0052 -0.9871 -0.8685 -0.8647 -0.6318 -0.6077 -0.4954 -0.4874 0.6778 0.6838 1.3643 1.3835 1.6822 1.6914 1.8550 1.8568 2.0459 2.0491 2.0727 2.0771 2.1079 2.1165 7.1528 7.1866 7.6103 7.6228 8.4707 8.4875 9.1470 9.1581 9.2135 9.2192 k = 0.5982-0.1186 0.4082 ( 17146 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4138 -15.4138 -13.4684 -13.4682 -13.2054 -13.1471 -13.0697 -13.0110 -12.9789 -12.9774 -4.2380 -4.2105 -2.8940 -2.8768 -2.8436 -2.8159 -1.0992 -1.0909 -1.0098 -0.9837 -0.8689 -0.8649 -0.6455 -0.6199 -0.5032 -0.4958 0.6875 0.6931 1.3501 1.3671 1.7032 1.7121 1.8689 1.8702 2.0483 2.0511 2.0665 2.0722 2.0989 2.1060 7.1401 7.1717 7.6203 7.6321 8.4813 8.4973 9.1455 9.1564 9.2010 9.2052 k = 0.5893-0.1340 0.4082 ( 17146 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4139 -15.4139 -13.4672 -13.4671 -13.2046 -13.1508 -13.0668 -13.0124 -12.9790 -12.9778 -4.2374 -4.2116 -2.8940 -2.8754 -2.8435 -2.8200 -1.0898 -1.0736 -1.0142 -0.9784 -0.8692 -0.8649 -0.6605 -0.6334 -0.5106 -0.5039 0.6969 0.7020 1.3368 1.3519 1.7239 1.7324 1.8814 1.8826 2.0494 2.0501 2.0617 2.0677 2.0911 2.0961 7.1279 7.1573 7.6297 7.6406 8.4924 8.5073 9.1430 9.1541 9.1875 9.1911 k = 0.5804-0.1495 0.4082 ( 17144 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4139 -15.4139 -13.4663 -13.4662 -13.2036 -13.1545 -13.0638 -13.0140 -12.9791 -12.9781 -4.2366 -4.2128 -2.8936 -2.8741 -2.8434 -2.8240 -1.0814 -1.0554 -1.0183 -0.9709 -0.8694 -0.8648 -0.6766 -0.6480 -0.5177 -0.5117 0.7059 0.7105 1.3246 1.3379 1.7443 1.7525 1.8924 1.8938 2.0441 2.0486 2.0603 2.0640 2.0847 2.0873 7.1167 7.1435 7.6385 7.6485 8.5037 8.5175 9.1389 9.1511 9.1724 9.1773 k = 0.5714-0.1650 0.4082 ( 17152 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4140 -15.4140 -13.4654 -13.4653 -13.2023 -13.1581 -13.0607 -13.0158 -12.9792 -12.9785 -4.2357 -4.2140 -2.8929 -2.8728 -2.8434 -2.8280 -1.0742 -1.0365 -1.0220 -0.9611 -0.8695 -0.8646 -0.6937 -0.6636 -0.5243 -0.5190 0.7144 0.7184 1.3135 1.3252 1.7642 1.7720 1.9018 1.9038 2.0351 2.0445 2.0604 2.0620 2.0798 2.0802 7.1063 7.1306 7.6466 7.6557 8.5149 8.5275 9.1324 9.1475 9.1561 9.1655 k = 0.5625-0.1804 0.4082 ( 17146 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4141 -15.4141 -13.4646 -13.4646 -13.2008 -13.1617 -13.0576 -13.0177 -12.9794 -12.9788 -4.2347 -4.2153 -2.8919 -2.8718 -2.8434 -2.8318 -1.0683 -1.0263 -1.0159 -0.9492 -0.8695 -0.8643 -0.7117 -0.6802 -0.5304 -0.5257 0.7222 0.7257 1.3038 1.3139 1.7837 1.7911 1.9095 1.9123 2.0248 2.0373 2.0605 2.0612 2.0752 2.0764 7.0971 7.1186 7.6539 7.6621 8.5259 8.5371 9.1234 9.1397 9.1438 9.1567 k = 0.5536-0.1959 0.4082 ( 17158 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4142 -15.4142 -13.4640 -13.4640 -13.1990 -13.1652 -13.0544 -13.0199 -12.9795 -12.9791 -4.2337 -4.2166 -2.8905 -2.8710 -2.8435 -2.8352 -1.0635 -1.0294 -0.9957 -0.9356 -0.8695 -0.8638 -0.7306 -0.6975 -0.5357 -0.5318 0.7293 0.7323 1.2953 1.3039 1.8026 1.8096 1.9153 1.9192 2.0140 2.0281 2.0601 2.0607 2.0722 2.0743 7.0890 7.1076 7.6605 7.6676 8.5363 8.5460 9.1128 9.1247 9.1398 9.1503 k = 0.5446-0.2114 0.4082 ( 17148 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4142 -15.4142 -13.4634 -13.4634 -13.1970 -13.1686 -13.0512 -13.0221 -12.9796 -12.9794 -4.2325 -4.2181 -2.8888 -2.8707 -2.8437 -2.8383 -1.0596 -1.0326 -0.9747 -0.9207 -0.8696 -0.8630 -0.7500 -0.7156 -0.5404 -0.5371 0.7355 0.7380 1.2882 1.2953 1.8210 1.8275 1.9192 1.9242 2.0033 2.0182 2.0594 2.0598 2.0708 2.0732 7.0823 7.0979 7.6663 7.6722 8.5459 8.5541 9.1026 9.1115 9.1361 9.1453 k = 0.5357-0.2268 0.4082 ( 17140 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4143 -15.4143 -13.4630 -13.4630 -13.1948 -13.1719 -13.0480 -13.0246 -12.9797 -12.9795 -4.2312 -4.2195 -2.8868 -2.8709 -2.8440 -2.8408 -1.0563 -1.0355 -0.9534 -0.9055 -0.8696 -0.8617 -0.7697 -0.7340 -0.5443 -0.5417 0.7408 0.7428 1.2825 1.2881 1.8388 1.8445 1.9209 1.9267 1.9934 2.0082 2.0585 2.0588 2.0706 2.0728 7.0769 7.0895 7.6712 7.6760 8.5543 8.5610 9.0936 9.1003 9.1329 9.1408 k = 0.5268-0.2423 0.4082 ( 17160 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4144 -15.4144 -13.4627 -13.4627 -13.1925 -13.1752 -13.0449 -13.0271 -12.9798 -12.9797 -4.2298 -4.2210 -2.8846 -2.8717 -2.8442 -2.8427 -1.0534 -1.0383 -0.9318 -0.8913 -0.8697 -0.8593 -0.7890 -0.7528 -0.5473 -0.5453 0.7450 0.7465 1.2782 1.2823 1.8559 1.8606 1.9201 1.9261 1.9856 1.9989 2.0576 2.0578 2.0709 2.0727 7.0730 7.0825 7.6751 7.6788 8.5614 8.5664 9.0865 9.0913 9.1305 9.1368 k = 0.5179-0.2577 0.4082 ( 17160 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4144 -15.4144 -13.4624 -13.4624 -13.1899 -13.1784 -13.0417 -13.0298 -12.9799 -12.9798 -4.2284 -4.2225 -2.8822 -2.8732 -2.8445 -2.8439 -1.0508 -1.0410 -0.9103 -0.8805 -0.8700 -0.8557 -0.8059 -0.7714 -0.5493 -0.5481 0.7482 0.7492 1.2753 1.2780 1.8721 1.8756 1.9166 1.9215 1.9807 1.9909 2.0569 2.0570 2.0714 2.0726 7.0706 7.0770 7.6782 7.6806 8.5669 8.5703 9.0815 9.0846 9.1290 9.1334 k = 0.5089-0.2732 0.4082 ( 17130 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4144 -15.4144 -13.4623 -13.4623 -13.1872 -13.1814 -13.0386 -13.0327 -12.9799 -12.9799 -4.2270 -4.2240 -2.8798 -2.8751 -2.8447 -2.8445 -1.0484 -1.0435 -0.8893 -0.8747 -0.8706 -0.8567 -0.8131 -0.7893 -0.5505 -0.5498 0.7502 0.7507 1.2738 1.2752 1.8873 1.8891 1.9102 1.9129 1.9793 1.9848 2.0564 2.0565 2.0719 2.0725 7.0698 7.0730 7.6803 7.6815 8.5706 8.5723 9.0787 9.0803 9.1285 9.1307 k = 0.5000-0.2887 0.4082 ( 17118 PWs) bands (ev): -57.7083 -57.7083 -38.9045 -38.9045 -33.7725 -33.7725 -31.3747 -31.3747 -31.3747 -31.3747 -15.4144 -15.4144 -13.4623 -13.4623 -13.1844 -13.1844 -13.0356 -13.0356 -12.9799 -12.9799 -4.2255 -4.2255 -2.8774 -2.8774 -2.8447 -2.8447 -1.0460 -1.0460 -0.8727 -0.8727 -0.8693 -0.8693 -0.8049 -0.8049 -0.5506 -0.5506 0.7510 0.7510 1.2738 1.2738 1.8998 1.8998 1.9022 1.9022 1.9808 1.9808 2.0563 2.0563 2.0723 2.0723 7.0706 7.0706 7.6814 7.6814 8.5724 8.5724 9.0783 9.0783 9.1291 9.1291 Writing output data file CsLiMoO4.save init_run : 1.85s CPU 1.11s WALL ( 1 calls) electrons : 745.69s CPU 591.04s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.01s WALL ( 1 calls) potinit : 0.16s CPU 0.11s WALL ( 1 calls) Called by electrons: c_bands : 745.68s CPU 591.03s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.01s WALL ( 1 calls) newd : 0.64s CPU 0.36s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.74s CPU 0.66s WALL ( 258 calls) cegterg : 664.02s CPU 542.53s WALL ( 823 calls) Called by sum_band: Called by *egterg: h_psi : 456.17s CPU 312.99s WALL ( 15636 calls) s_psi : 19.84s CPU 17.21s WALL ( 15636 calls) g_psi : 1.33s CPU 1.36s WALL ( 14555 calls) cdiaghg : 134.79s CPU 134.43s WALL ( 14813 calls) cegterg:over : 36.41s CPU 35.92s WALL ( 14555 calls) cegterg:upda : 43.80s CPU 43.27s WALL ( 14555 calls) cegterg:last : 14.57s CPU 14.67s WALL ( 1597 calls) cdiaghg:chol : 7.72s CPU 7.85s WALL ( 14813 calls) cdiaghg:inve : 4.90s CPU 4.98s WALL ( 14813 calls) cdiaghg:para : 8.31s CPU 8.26s WALL ( 29626 calls) Called by h_psi: h_psi:vloc : 399.56s CPU 262.30s WALL ( 15636 calls) h_psi:vnl : 55.04s CPU 49.24s WALL ( 15636 calls) add_vuspsi : 29.46s CPU 26.17s WALL ( 15636 calls) General routines calbec : 25.47s CPU 23.01s WALL ( 15636 calls) fft : 0.06s CPU 0.03s WALL ( 15 calls) fftw : 378.88s CPU 244.50s WALL ( 1133164 calls) davcio : 0.62s CPU 4.00s WALL ( 516 calls) Parallel routines fft_scatter : 117.33s CPU 101.46s WALL ( 1133179 calls) PWSCF : 13m29.85s CPU 11m13.76s WALL This run was terminated on: 15:54:35 10Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=