Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:54: 2 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./PbF4.save/ file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized file Pb.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 60 38 11 1292 642 102 Max 61 39 12 1294 657 104 Sum 2167 1371 403 46543 23351 3707 bravais-lattice index = 14 lattice parameter (alat) = 9.4748 a.u. unit-cell volume = 488.7048 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 2 number of electrons = 42.00 number of Kohn-Sham states= 50 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 317.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.474810 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.641251 celldm(5)= -0.641251 celldm(6)= 0.282501 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.282501 0.959267 0.000000 ) a(3) = ( -0.641251 -0.479633 0.598957 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.294497 0.834785 ) b(2) = ( 0.000000 1.042463 0.834785 ) b(3) = ( 0.000000 0.000000 1.669569 ) PseudoPot. # 1 for F read from file: /users/gautes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1105 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 Pb read from file: /users/gautes/Pseudo/Pb.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 75f9fe62f948a5acf869e43db2c29526 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 1281 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential F 7.00 18.99840 F( 1.00) Pb 14.00 207.20000 Pb( 1.00) 4 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 1 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 364 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027473 k( 2) = ( 0.0000000 0.0000000 0.0157506), wk = 0.0027473 k( 3) = ( 0.0000000 0.0000000 0.0315013), wk = 0.0027473 k( 4) = ( 0.0000000 0.0000000 0.0472520), wk = 0.0027473 k( 5) = ( 0.0000000 0.0000000 0.0630026), wk = 0.0027473 k( 6) = ( 0.0000000 0.0000000 0.0787533), wk = 0.0027473 k( 7) = ( 0.0000000 0.0000000 0.0945039), wk = 0.0027473 k( 8) = ( 0.0000000 0.0000000 0.1102546), wk = 0.0027473 k( 9) = ( 0.0000000 0.0000000 0.1260052), wk = 0.0027473 k( 10) = ( 0.0000000 0.0000000 0.1417559), wk = 0.0027473 k( 11) = ( 0.0000000 0.0000000 0.1575065), wk = 0.0027473 k( 12) = ( 0.0000000 0.0000000 0.1732572), wk = 0.0027473 k( 13) = ( 0.0000000 0.0000000 0.1890078), wk = 0.0027473 k( 14) = ( 0.0000000 0.0000000 0.2047585), wk = 0.0027473 k( 15) = ( 0.0000000 0.0000000 0.2205091), wk = 0.0027473 k( 16) = ( 0.0000000 0.0000000 0.2362598), wk = 0.0027473 k( 17) = ( 0.0000000 0.0000000 0.2520104), wk = 0.0027473 k( 18) = ( 0.0000000 0.0000000 0.2677611), wk = 0.0027473 k( 19) = ( 0.0000000 0.0000000 0.2835117), wk = 0.0027473 k( 20) = ( 0.0000000 0.0000000 0.2992624), wk = 0.0027473 k( 21) = ( 0.0000000 0.0000000 0.3150130), wk = 0.0027473 k( 22) = ( 0.0000000 0.0000000 0.3307637), wk = 0.0027473 k( 23) = ( 0.0000000 0.0000000 0.3465143), wk = 0.0027473 k( 24) = ( 0.0000000 0.0000000 0.3622650), wk = 0.0027473 k( 25) = ( 0.0000000 0.0000000 0.3780156), wk = 0.0027473 k( 26) = ( 0.0000000 0.0000000 0.3937663), wk = 0.0027473 k( 27) = ( 0.0000000 0.0000000 0.4095170), wk = 0.0027473 k( 28) = ( 0.0000000 0.0000000 0.4252676), wk = 0.0027473 k( 29) = ( 0.0000000 0.0000000 0.4410182), wk = 0.0027473 k( 30) = ( 0.0000000 0.0000000 0.4567689), wk = 0.0027473 k( 31) = ( 0.0000000 0.0000000 0.4725196), wk = 0.0027473 k( 32) = ( 0.0000000 0.0000000 0.4882702), wk = 0.0027473 k( 33) = ( 0.0000000 0.0000000 0.5040209), wk = 0.0027473 k( 34) = ( 0.0000000 0.0000000 0.5197715), wk = 0.0027473 k( 35) = ( 0.0000000 0.0000000 0.5355222), wk = 0.0027473 k( 36) = ( 0.0000000 0.0000000 0.5512728), wk = 0.0027473 k( 37) = ( 0.0000000 0.0000000 0.5670235), wk = 0.0027473 k( 38) = ( 0.0000000 0.0000000 0.5827741), wk = 0.0027473 k( 39) = ( 0.0000000 0.0000000 0.5985248), wk = 0.0027473 k( 40) = ( 0.0000000 0.0000000 0.6142754), wk = 0.0027473 k( 41) = ( 0.0000000 0.0000000 0.6300261), wk = 0.0027473 k( 42) = ( 0.0000000 0.0000000 0.6457767), wk = 0.0027473 k( 43) = ( 0.0000000 0.0000000 0.6615274), wk = 0.0027473 k( 44) = ( 0.0000000 0.0000000 0.6772780), wk = 0.0027473 k( 45) = ( 0.0000000 0.0000000 0.6930287), wk = 0.0027473 k( 46) = ( 0.0000000 0.0000000 0.7087793), wk = 0.0027473 k( 47) = ( 0.0000000 0.0000000 0.7245300), wk = 0.0027473 k( 48) = ( 0.0000000 0.0000000 0.7402806), wk = 0.0027473 k( 49) = ( 0.0000000 0.0000000 0.7560313), wk = 0.0027473 k( 50) = ( 0.0000000 0.0000000 0.7717819), wk = 0.0027473 k( 51) = ( 0.0000000 0.0000000 0.7875326), wk = 0.0027473 k( 52) = ( 0.0000000 0.0000000 0.8032833), wk = 0.0027473 k( 53) = ( 0.0000000 0.0000000 0.8190339), wk = 0.0027473 k( 54) = ( 0.0000000 0.0000000 0.8347846), wk = 0.0027473 k( 55) = ( 0.0000000 0.0000000 0.8347846), wk = 0.0027473 k( 56) = ( -0.0093242 0.0124661 0.8347846), wk = 0.0027473 k( 57) = ( -0.0186484 0.0249322 0.8347846), wk = 0.0027473 k( 58) = ( -0.0279726 0.0373983 0.8347846), wk = 0.0027473 k( 59) = ( -0.0372968 0.0498644 0.8347846), wk = 0.0027473 k( 60) = ( -0.0466211 0.0623305 0.8347846), wk = 0.0027473 k( 61) = ( -0.0559453 0.0747966 0.8347846), wk = 0.0027473 k( 62) = ( -0.0652695 0.0872627 0.8347846), wk = 0.0027473 k( 63) = ( -0.0745937 0.0997288 0.8347846), wk = 0.0027473 k( 64) = ( -0.0839179 0.1121949 0.8347846), wk = 0.0027473 k( 65) = ( -0.0932421 0.1246610 0.8347846), wk = 0.0027473 k( 66) = ( -0.1025663 0.1371271 0.8347846), wk = 0.0027473 k( 67) = ( -0.1118906 0.1495931 0.8347846), wk = 0.0027473 k( 68) = ( -0.1212148 0.1620593 0.8347846), wk = 0.0027473 k( 69) = ( -0.1305390 0.1745253 0.8347846), wk = 0.0027473 k( 70) = ( -0.1398632 0.1869914 0.8347846), wk = 0.0027473 k( 71) = ( -0.1398632 0.1869914 0.8347846), wk = 0.0027473 k( 72) = ( -0.1465324 0.1959079 0.8236499), wk = 0.0027473 k( 73) = ( -0.1532016 0.2048243 0.8125152), wk = 0.0027473 k( 74) = ( -0.1598708 0.2137408 0.8013805), wk = 0.0027473 k( 75) = ( -0.1665400 0.2226572 0.7902458), wk = 0.0027473 k( 76) = ( -0.1732092 0.2315737 0.7791111), wk = 0.0027473 k( 77) = ( -0.1798784 0.2404901 0.7679764), wk = 0.0027473 k( 78) = ( -0.1865476 0.2494066 0.7568417), wk = 0.0027473 k( 79) = ( -0.1932168 0.2583230 0.7457070), wk = 0.0027473 k( 80) = ( -0.1998860 0.2672395 0.7345723), wk = 0.0027473 k( 81) = ( -0.2065552 0.2761559 0.7234376), wk = 0.0027473 k( 82) = ( -0.2132244 0.2850724 0.7123030), wk = 0.0027473 k( 83) = ( -0.2198936 0.2939888 0.7011683), wk = 0.0027473 k( 84) = ( -0.2265628 0.3029053 0.6900336), wk = 0.0027473 k( 85) = ( -0.2332320 0.3118217 0.6788989), wk = 0.0027473 k( 86) = ( -0.2399012 0.3207382 0.6677642), wk = 0.0027473 k( 87) = ( -0.2465704 0.3296547 0.6566295), wk = 0.0027473 k( 88) = ( -0.2532396 0.3385711 0.6454948), wk = 0.0027473 k( 89) = ( -0.2599088 0.3474876 0.6343601), wk = 0.0027473 k( 90) = ( -0.2665780 0.3564040 0.6232254), wk = 0.0027473 k( 91) = ( -0.2732472 0.3653205 0.6120907), wk = 0.0027473 k( 92) = ( -0.2799164 0.3742369 0.6009561), wk = 0.0027473 k( 93) = ( -0.2865856 0.3831534 0.5898214), wk = 0.0027473 k( 94) = ( -0.2932548 0.3920698 0.5786867), wk = 0.0027473 k( 95) = ( -0.2999240 0.4009863 0.5675520), wk = 0.0027473 k( 96) = ( -0.3065932 0.4099027 0.5564173), wk = 0.0027473 k( 97) = ( -0.3132624 0.4188192 0.5452826), wk = 0.0027473 k( 98) = ( -0.3199316 0.4277356 0.5341479), wk = 0.0027473 k( 99) = ( -0.3199316 0.4277356 0.5341479), wk = 0.0027473 k( 100) = ( -0.3132664 0.4188245 0.5230198), wk = 0.0027473 k( 101) = ( -0.3066011 0.4099133 0.5118917), wk = 0.0027473 k( 102) = ( -0.2999359 0.4010021 0.5007637), wk = 0.0027473 k( 103) = ( -0.2932706 0.3920910 0.4896356), wk = 0.0027473 k( 104) = ( -0.2866054 0.3831798 0.4785075), wk = 0.0027473 k( 105) = ( -0.2799401 0.3742687 0.4673794), wk = 0.0027473 k( 106) = ( -0.2732749 0.3653575 0.4562513), wk = 0.0027473 k( 107) = ( -0.2666097 0.3564463 0.4451233), wk = 0.0027473 k( 108) = ( -0.2599444 0.3475352 0.4339952), wk = 0.0027473 k( 109) = ( -0.2532792 0.3386240 0.4228671), wk = 0.0027473 k( 110) = ( -0.2466139 0.3297129 0.4117390), wk = 0.0027473 k( 111) = ( -0.2399487 0.3208017 0.4006109), wk = 0.0027473 k( 112) = ( -0.2332835 0.3118906 0.3894829), wk = 0.0027473 k( 113) = ( -0.2266182 0.3029794 0.3783548), wk = 0.0027473 k( 114) = ( -0.2199530 0.2940682 0.3672267), wk = 0.0027473 k( 115) = ( -0.2132877 0.2851571 0.3560986), wk = 0.0027473 k( 116) = ( -0.2066225 0.2762459 0.3449705), wk = 0.0027473 k( 117) = ( -0.1999573 0.2673348 0.3338424), wk = 0.0027473 k( 118) = ( -0.1932920 0.2584236 0.3227144), wk = 0.0027473 k( 119) = ( -0.1866268 0.2495124 0.3115863), wk = 0.0027473 k( 120) = ( -0.1799615 0.2406013 0.3004582), wk = 0.0027473 k( 121) = ( -0.1732963 0.2316901 0.2893301), wk = 0.0027473 k( 122) = ( -0.1666310 0.2227790 0.2782020), wk = 0.0027473 k( 123) = ( -0.1599658 0.2138678 0.2670740), wk = 0.0027473 k( 124) = ( -0.1533006 0.2049567 0.2559459), wk = 0.0027473 k( 125) = ( -0.1466353 0.1960455 0.2448178), wk = 0.0027473 k( 126) = ( -0.1399701 0.1871343 0.2336897), wk = 0.0027473 k( 127) = ( -0.1333048 0.1782232 0.2225616), wk = 0.0027473 k( 128) = ( -0.1266396 0.1693120 0.2114335), wk = 0.0027473 k( 129) = ( -0.1199743 0.1604009 0.2003055), wk = 0.0027473 k( 130) = ( -0.1133091 0.1514897 0.1891774), wk = 0.0027473 k( 131) = ( -0.1066439 0.1425785 0.1780493), wk = 0.0027473 k( 132) = ( -0.0999786 0.1336674 0.1669212), wk = 0.0027473 k( 133) = ( -0.0933134 0.1247562 0.1557931), wk = 0.0027473 k( 134) = ( -0.0866481 0.1158451 0.1446651), wk = 0.0027473 k( 135) = ( -0.0799829 0.1069339 0.1335370), wk = 0.0027473 k( 136) = ( -0.0733177 0.0980227 0.1224089), wk = 0.0027473 k( 137) = ( -0.0666524 0.0891116 0.1112808), wk = 0.0027473 k( 138) = ( -0.0599872 0.0802004 0.1001527), wk = 0.0027473 k( 139) = ( -0.0533219 0.0712893 0.0890246), wk = 0.0027473 k( 140) = ( -0.0466567 0.0623781 0.0778966), wk = 0.0027473 k( 141) = ( -0.0399914 0.0534670 0.0667685), wk = 0.0027473 k( 142) = ( -0.0333262 0.0445558 0.0556404), wk = 0.0027473 k( 143) = ( -0.0266610 0.0356446 0.0445123), wk = 0.0027473 k( 144) = ( -0.0199957 0.0267335 0.0333842), wk = 0.0027473 k( 145) = ( -0.0133305 0.0178223 0.0222562), wk = 0.0027473 k( 146) = ( -0.0066652 0.0089112 0.0111281), wk = 0.0027473 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027473 k( 148) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027473 k( 149) = ( 0.0125000 0.0093496 0.0000000), wk = 0.0027473 k( 150) = ( 0.0250000 0.0186991 0.0000000), wk = 0.0027473 k( 151) = ( 0.0375000 0.0280487 0.0000000), wk = 0.0027473 k( 152) = ( 0.0500000 0.0373983 0.0000000), wk = 0.0027473 k( 153) = ( 0.0625000 0.0467479 0.0000000), wk = 0.0027473 k( 154) = ( 0.0750000 0.0560974 0.0000000), wk = 0.0027473 k( 155) = ( 0.0875000 0.0654470 0.0000000), wk = 0.0027473 k( 156) = ( 0.1000000 0.0747966 0.0000000), wk = 0.0027473 k( 157) = ( 0.1125000 0.0841461 0.0000000), wk = 0.0027473 k( 158) = ( 0.1250000 0.0934957 0.0000000), wk = 0.0027473 k( 159) = ( 0.1375000 0.1028453 0.0000000), wk = 0.0027473 k( 160) = ( 0.1500000 0.1121949 0.0000000), wk = 0.0027473 k( 161) = ( 0.1625000 0.1215444 0.0000000), wk = 0.0027473 k( 162) = ( 0.1750000 0.1308940 0.0000000), wk = 0.0027473 k( 163) = ( 0.1875000 0.1402436 0.0000000), wk = 0.0027473 k( 164) = ( 0.2000000 0.1495932 0.0000000), wk = 0.0027473 k( 165) = ( 0.2125000 0.1589427 0.0000000), wk = 0.0027473 k( 166) = ( 0.2250000 0.1682923 0.0000000), wk = 0.0027473 k( 167) = ( 0.2375000 0.1776419 0.0000000), wk = 0.0027473 k( 168) = ( 0.2500000 0.1869914 0.0000000), wk = 0.0027473 k( 169) = ( 0.2625000 0.1963410 0.0000000), wk = 0.0027473 k( 170) = ( 0.2750000 0.2056906 0.0000000), wk = 0.0027473 k( 171) = ( 0.2875000 0.2150402 0.0000000), wk = 0.0027473 k( 172) = ( 0.3000000 0.2243897 0.0000000), wk = 0.0027473 k( 173) = ( 0.3125000 0.2337393 0.0000000), wk = 0.0027473 k( 174) = ( 0.3250000 0.2430889 0.0000000), wk = 0.0027473 k( 175) = ( 0.3375000 0.2524384 0.0000000), wk = 0.0027473 k( 176) = ( 0.3500000 0.2617880 0.0000000), wk = 0.0027473 k( 177) = ( 0.3625000 0.2711376 0.0000000), wk = 0.0027473 k( 178) = ( 0.3750000 0.2804872 0.0000000), wk = 0.0027473 k( 179) = ( 0.3875000 0.2898367 0.0000000), wk = 0.0027473 k( 180) = ( 0.4000000 0.2991863 0.0000000), wk = 0.0027473 k( 181) = ( 0.4125000 0.3085359 0.0000000), wk = 0.0027473 k( 182) = ( 0.4250000 0.3178854 0.0000000), wk = 0.0027473 k( 183) = ( 0.4375000 0.3272350 0.0000000), wk = 0.0027473 k( 184) = ( 0.4500000 0.3365846 0.0000000), wk = 0.0027473 k( 185) = ( 0.4625000 0.3459342 0.0000000), wk = 0.0027473 k( 186) = ( 0.4750000 0.3552837 0.0000000), wk = 0.0027473 k( 187) = ( 0.4875000 0.3646333 0.0000000), wk = 0.0027473 k( 188) = ( 0.5000000 0.3739829 0.0000000), wk = 0.0027473 k( 189) = ( 0.5000000 0.3739829 0.0000000), wk = 0.0027473 k( 190) = ( 0.4933308 0.3828993 0.0111347), wk = 0.0027473 k( 191) = ( 0.4866616 0.3918158 0.0222694), wk = 0.0027473 k( 192) = ( 0.4799924 0.4007322 0.0334041), wk = 0.0027473 k( 193) = ( 0.4733232 0.4096487 0.0445388), wk = 0.0027473 k( 194) = ( 0.4666540 0.4185651 0.0556735), wk = 0.0027473 k( 195) = ( 0.4599848 0.4274816 0.0668081), wk = 0.0027473 k( 196) = ( 0.4533156 0.4363980 0.0779428), wk = 0.0027473 k( 197) = ( 0.4466464 0.4453145 0.0890775), wk = 0.0027473 k( 198) = ( 0.4399772 0.4542309 0.1002122), wk = 0.0027473 k( 199) = ( 0.4333080 0.4631474 0.1113469), wk = 0.0027473 k( 200) = ( 0.4266388 0.4720638 0.1224816), wk = 0.0027473 k( 201) = ( 0.4199696 0.4809803 0.1336163), wk = 0.0027473 k( 202) = ( 0.4133004 0.4898967 0.1447510), wk = 0.0027473 k( 203) = ( 0.4066312 0.4988132 0.1558857), wk = 0.0027473 k( 204) = ( 0.3999620 0.5077296 0.1670204), wk = 0.0027473 k( 205) = ( 0.3932928 0.5166461 0.1781550), wk = 0.0027473 k( 206) = ( 0.3866236 0.5255625 0.1892897), wk = 0.0027473 k( 207) = ( 0.3799544 0.5344790 0.2004244), wk = 0.0027473 k( 208) = ( 0.3732852 0.5433954 0.2115591), wk = 0.0027473 k( 209) = ( 0.3666160 0.5523119 0.2226938), wk = 0.0027473 k( 210) = ( 0.3599468 0.5612283 0.2338285), wk = 0.0027473 k( 211) = ( 0.3532776 0.5701448 0.2449632), wk = 0.0027473 k( 212) = ( 0.3466084 0.5790613 0.2560979), wk = 0.0027473 k( 213) = ( 0.3399392 0.5879777 0.2672326), wk = 0.0027473 k( 214) = ( 0.3332700 0.5968942 0.2783673), wk = 0.0027473 k( 215) = ( 0.3266008 0.6058106 0.2895019), wk = 0.0027473 k( 216) = ( 0.3199316 0.6147271 0.3006366), wk = 0.0027473 k( 217) = ( 0.3199316 0.6147271 0.3006366), wk = 0.0027473 k( 218) = ( 0.3060215 0.6106620 0.3057130), wk = 0.0027473 k( 219) = ( 0.2921115 0.6065970 0.3107893), wk = 0.0027473 k( 220) = ( 0.2782014 0.6025320 0.3158656), wk = 0.0027473 k( 221) = ( 0.2642913 0.5984669 0.3209420), wk = 0.0027473 k( 222) = ( 0.2503812 0.5944019 0.3260183), wk = 0.0027473 k( 223) = ( 0.2364712 0.5903369 0.3310946), wk = 0.0027473 k( 224) = ( 0.2225611 0.5862718 0.3361710), wk = 0.0027473 k( 225) = ( 0.2086510 0.5822068 0.3412473), wk = 0.0027473 k( 226) = ( 0.1947410 0.5781418 0.3463236), wk = 0.0027473 k( 227) = ( 0.1808309 0.5740767 0.3514000), wk = 0.0027473 k( 228) = ( 0.1669208 0.5700117 0.3564763), wk = 0.0027473 k( 229) = ( 0.1530108 0.5659467 0.3615526), wk = 0.0027473 k( 230) = ( 0.1391007 0.5618817 0.3666290), wk = 0.0027473 k( 231) = ( 0.1251906 0.5578166 0.3717053), wk = 0.0027473 k( 232) = ( 0.1112806 0.5537516 0.3767816), wk = 0.0027473 k( 233) = ( 0.0973705 0.5496866 0.3818580), wk = 0.0027473 k( 234) = ( 0.0834604 0.5456215 0.3869343), wk = 0.0027473 k( 235) = ( 0.0695503 0.5415565 0.3920106), wk = 0.0027473 k( 236) = ( 0.0556403 0.5374915 0.3970869), wk = 0.0027473 k( 237) = ( 0.0417302 0.5334264 0.4021633), wk = 0.0027473 k( 238) = ( 0.0278201 0.5293614 0.4072396), wk = 0.0027473 k( 239) = ( 0.0139101 0.5252964 0.4123159), wk = 0.0027473 k( 240) = ( 0.0000000 0.5212313 0.4173923), wk = 0.0027473 k( 241) = ( 0.0000000 0.5212313 0.4173923), wk = 0.0027473 k( 242) = ( 0.0067568 0.5121978 0.4286732), wk = 0.0027473 k( 243) = ( 0.0135135 0.5031643 0.4399540), wk = 0.0027473 k( 244) = ( 0.0202703 0.4941308 0.4512349), wk = 0.0027473 k( 245) = ( 0.0270270 0.4850973 0.4625158), wk = 0.0027473 k( 246) = ( 0.0337838 0.4760638 0.4737966), wk = 0.0027473 k( 247) = ( 0.0405405 0.4670303 0.4850775), wk = 0.0027473 k( 248) = ( 0.0472973 0.4579968 0.4963584), wk = 0.0027473 k( 249) = ( 0.0540540 0.4489633 0.5076392), wk = 0.0027473 k( 250) = ( 0.0608108 0.4399297 0.5189201), wk = 0.0027473 k( 251) = ( 0.0675676 0.4308962 0.5302010), wk = 0.0027473 k( 252) = ( 0.0743243 0.4218627 0.5414819), wk = 0.0027473 k( 253) = ( 0.0810811 0.4128292 0.5527627), wk = 0.0027473 k( 254) = ( 0.0878378 0.4037957 0.5640436), wk = 0.0027473 k( 255) = ( 0.0945946 0.3947622 0.5753245), wk = 0.0027473 k( 256) = ( 0.1013514 0.3857287 0.5866054), wk = 0.0027473 k( 257) = ( 0.1081081 0.3766952 0.5978862), wk = 0.0027473 k( 258) = ( 0.1148649 0.3676617 0.6091671), wk = 0.0027473 k( 259) = ( 0.1216216 0.3586281 0.6204480), wk = 0.0027473 k( 260) = ( 0.1283784 0.3495946 0.6317289), wk = 0.0027473 k( 261) = ( 0.1351351 0.3405611 0.6430097), wk = 0.0027473 k( 262) = ( 0.1418919 0.3315276 0.6542906), wk = 0.0027473 k( 263) = ( 0.1486486 0.3224941 0.6655715), wk = 0.0027473 k( 264) = ( 0.1554054 0.3134606 0.6768523), wk = 0.0027473 k( 265) = ( 0.1621622 0.3044271 0.6881332), wk = 0.0027473 k( 266) = ( 0.1689189 0.2953936 0.6994141), wk = 0.0027473 k( 267) = ( 0.1756757 0.2863601 0.7106950), wk = 0.0027473 k( 268) = ( 0.1824324 0.2773266 0.7219758), wk = 0.0027473 k( 269) = ( 0.1891892 0.2682930 0.7332567), wk = 0.0027473 k( 270) = ( 0.1959460 0.2592595 0.7445376), wk = 0.0027473 k( 271) = ( 0.2027027 0.2502260 0.7558184), wk = 0.0027473 k( 272) = ( 0.2094595 0.2411925 0.7670993), wk = 0.0027473 k( 273) = ( 0.2162162 0.2321590 0.7783802), wk = 0.0027473 k( 274) = ( 0.2229730 0.2231255 0.7896611), wk = 0.0027473 k( 275) = ( 0.2297297 0.2140920 0.8009419), wk = 0.0027473 k( 276) = ( 0.2364865 0.2050585 0.8122228), wk = 0.0027473 k( 277) = ( 0.2432432 0.1960250 0.8235037), wk = 0.0027473 k( 278) = ( 0.2500000 0.1869914 0.8347846), wk = 0.0027473 k( 279) = ( 0.2500000 0.1869914 0.8347846), wk = 0.0027473 k( 280) = ( 0.2600000 0.1944711 0.8254441), wk = 0.0027473 k( 281) = ( 0.2700000 0.2019508 0.8161036), wk = 0.0027473 k( 282) = ( 0.2800000 0.2094304 0.8067632), wk = 0.0027473 k( 283) = ( 0.2900000 0.2169101 0.7974228), wk = 0.0027473 k( 284) = ( 0.3000000 0.2243897 0.7880823), wk = 0.0027473 k( 285) = ( 0.3100000 0.2318694 0.7787418), wk = 0.0027473 k( 286) = ( 0.3200000 0.2393490 0.7694014), wk = 0.0027473 k( 287) = ( 0.3300000 0.2468287 0.7600609), wk = 0.0027473 k( 288) = ( 0.3400000 0.2543084 0.7507205), wk = 0.0027473 k( 289) = ( 0.3500000 0.2617880 0.7413800), wk = 0.0027473 k( 290) = ( 0.3600000 0.2692677 0.7320396), wk = 0.0027473 k( 291) = ( 0.3700000 0.2767473 0.7226991), wk = 0.0027473 k( 292) = ( 0.3800000 0.2842270 0.7133587), wk = 0.0027473 k( 293) = ( 0.3900000 0.2917066 0.7040182), wk = 0.0027473 k( 294) = ( 0.4000000 0.2991863 0.6946778), wk = 0.0027473 k( 295) = ( 0.4100000 0.3066660 0.6853373), wk = 0.0027473 k( 296) = ( 0.4200000 0.3141456 0.6759969), wk = 0.0027473 k( 297) = ( 0.4300000 0.3216253 0.6666564), wk = 0.0027473 k( 298) = ( 0.4400000 0.3291049 0.6573160), wk = 0.0027473 k( 299) = ( 0.4500000 0.3365846 0.6479755), wk = 0.0027473 k( 300) = ( 0.4600000 0.3440642 0.6386351), wk = 0.0027473 k( 301) = ( 0.4700000 0.3515439 0.6292946), wk = 0.0027473 k( 302) = ( 0.4800000 0.3590236 0.6199542), wk = 0.0027473 k( 303) = ( 0.4900000 0.3665032 0.6106137), wk = 0.0027473 k( 304) = ( 0.5000000 0.3739829 0.6012733), wk = 0.0027473 k( 305) = ( 0.5000000 0.3739829 0.6012733), wk = 0.0027473 k( 306) = ( 0.5000000 0.3739829 0.5854503), wk = 0.0027473 k( 307) = ( 0.5000000 0.3739829 0.5696273), wk = 0.0027473 k( 308) = ( 0.5000000 0.3739829 0.5538043), wk = 0.0027473 k( 309) = ( 0.5000000 0.3739829 0.5379814), wk = 0.0027473 k( 310) = ( 0.5000000 0.3739829 0.5221584), wk = 0.0027473 k( 311) = ( 0.5000000 0.3739829 0.5063354), wk = 0.0027473 k( 312) = ( 0.5000000 0.3739829 0.4905124), wk = 0.0027473 k( 313) = ( 0.5000000 0.3739829 0.4746894), wk = 0.0027473 k( 314) = ( 0.5000000 0.3739829 0.4588665), wk = 0.0027473 k( 315) = ( 0.5000000 0.3739829 0.4430435), wk = 0.0027473 k( 316) = ( 0.5000000 0.3739829 0.4272205), wk = 0.0027473 k( 317) = ( 0.5000000 0.3739829 0.4113975), wk = 0.0027473 k( 318) = ( 0.5000000 0.3739829 0.3955745), wk = 0.0027473 k( 319) = ( 0.5000000 0.3739829 0.3797516), wk = 0.0027473 k( 320) = ( 0.5000000 0.3739829 0.3639286), wk = 0.0027473 k( 321) = ( 0.5000000 0.3739829 0.3481056), wk = 0.0027473 k( 322) = ( 0.5000000 0.3739829 0.3322826), wk = 0.0027473 k( 323) = ( 0.5000000 0.3739829 0.3164596), wk = 0.0027473 k( 324) = ( 0.5000000 0.3739829 0.3006366), wk = 0.0027473 k( 325) = ( 0.5000000 0.3739829 0.2848137), wk = 0.0027473 k( 326) = ( 0.5000000 0.3739829 0.2689907), wk = 0.0027473 k( 327) = ( 0.5000000 0.3739829 0.2531677), wk = 0.0027473 k( 328) = ( 0.5000000 0.3739829 0.2373447), wk = 0.0027473 k( 329) = ( 0.5000000 0.3739829 0.2215217), wk = 0.0027473 k( 330) = ( 0.5000000 0.3739829 0.2056988), wk = 0.0027473 k( 331) = ( 0.5000000 0.3739829 0.1898758), wk = 0.0027473 k( 332) = ( 0.5000000 0.3739829 0.1740528), wk = 0.0027473 k( 333) = ( 0.5000000 0.3739829 0.1582298), wk = 0.0027473 k( 334) = ( 0.5000000 0.3739829 0.1424068), wk = 0.0027473 k( 335) = ( 0.5000000 0.3739829 0.1265839), wk = 0.0027473 k( 336) = ( 0.5000000 0.3739829 0.1107609), wk = 0.0027473 k( 337) = ( 0.5000000 0.3739829 0.0949379), wk = 0.0027473 k( 338) = ( 0.5000000 0.3739829 0.0791149), wk = 0.0027473 k( 339) = ( 0.5000000 0.3739829 0.0632919), wk = 0.0027473 k( 340) = ( 0.5000000 0.3739829 0.0474689), wk = 0.0027473 k( 341) = ( 0.5000000 0.3739829 0.0316460), wk = 0.0027473 k( 342) = ( 0.5000000 0.3739829 0.0158230), wk = 0.0027473 k( 343) = ( 0.5000000 0.3739829 0.0000000), wk = 0.0027473 k( 344) = ( 0.0000000 0.0000000 0.8347846), wk = 0.0027473 k( 345) = ( 0.0125000 0.0093496 0.8347846), wk = 0.0027473 k( 346) = ( 0.0250000 0.0186991 0.8347846), wk = 0.0027473 k( 347) = ( 0.0375000 0.0280487 0.8347846), wk = 0.0027473 k( 348) = ( 0.0500000 0.0373983 0.8347846), wk = 0.0027473 k( 349) = ( 0.0625000 0.0467479 0.8347846), wk = 0.0027473 k( 350) = ( 0.0750000 0.0560974 0.8347846), wk = 0.0027473 k( 351) = ( 0.0875000 0.0654470 0.8347846), wk = 0.0027473 k( 352) = ( 0.1000000 0.0747966 0.8347846), wk = 0.0027473 k( 353) = ( 0.1125000 0.0841461 0.8347846), wk = 0.0027473 k( 354) = ( 0.1250000 0.0934957 0.8347846), wk = 0.0027473 k( 355) = ( 0.1375000 0.1028453 0.8347846), wk = 0.0027473 k( 356) = ( 0.1500000 0.1121949 0.8347846), wk = 0.0027473 k( 357) = ( 0.1625000 0.1215444 0.8347846), wk = 0.0027473 k( 358) = ( 0.1750000 0.1308940 0.8347846), wk = 0.0027473 k( 359) = ( 0.1875000 0.1402436 0.8347846), wk = 0.0027473 k( 360) = ( 0.2000000 0.1495932 0.8347846), wk = 0.0027473 k( 361) = ( 0.2125000 0.1589427 0.8347846), wk = 0.0027473 k( 362) = ( 0.2250000 0.1682923 0.8347846), wk = 0.0027473 k( 363) = ( 0.2375000 0.1776419 0.8347846), wk = 0.0027473 k( 364) = ( 0.2500000 0.1869914 0.8347846), wk = 0.0027473 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027473 k( 2) = ( 0.0000000 0.0000000 0.0094340), wk = 0.0027473 k( 3) = ( 0.0000000 0.0000000 0.0188679), wk = 0.0027473 k( 4) = ( 0.0000000 0.0000000 0.0283019), wk = 0.0027473 k( 5) = ( 0.0000000 0.0000000 0.0377359), wk = 0.0027473 k( 6) = ( 0.0000000 0.0000000 0.0471698), wk = 0.0027473 k( 7) = ( 0.0000000 0.0000000 0.0566038), wk = 0.0027473 k( 8) = ( 0.0000000 0.0000000 0.0660377), wk = 0.0027473 k( 9) = ( 0.0000000 0.0000000 0.0754717), wk = 0.0027473 k( 10) = ( 0.0000000 0.0000000 0.0849057), wk = 0.0027473 k( 11) = ( 0.0000000 0.0000000 0.0943396), wk = 0.0027473 k( 12) = ( 0.0000000 0.0000000 0.1037736), wk = 0.0027473 k( 13) = ( 0.0000000 0.0000000 0.1132076), wk = 0.0027473 k( 14) = ( 0.0000000 0.0000000 0.1226415), wk = 0.0027473 k( 15) = ( 0.0000000 0.0000000 0.1320755), wk = 0.0027473 k( 16) = ( 0.0000000 0.0000000 0.1415094), wk = 0.0027473 k( 17) = ( 0.0000000 0.0000000 0.1509434), wk = 0.0027473 k( 18) = ( 0.0000000 0.0000000 0.1603774), wk = 0.0027473 k( 19) = ( 0.0000000 0.0000000 0.1698113), wk = 0.0027473 k( 20) = ( 0.0000000 0.0000000 0.1792453), wk = 0.0027473 k( 21) = ( 0.0000000 0.0000000 0.1886792), wk = 0.0027473 k( 22) = ( 0.0000000 0.0000000 0.1981132), wk = 0.0027473 k( 23) = ( 0.0000000 0.0000000 0.2075472), wk = 0.0027473 k( 24) = ( 0.0000000 0.0000000 0.2169811), wk = 0.0027473 k( 25) = ( 0.0000000 0.0000000 0.2264151), wk = 0.0027473 k( 26) = ( 0.0000000 0.0000000 0.2358491), wk = 0.0027473 k( 27) = ( 0.0000000 0.0000000 0.2452830), wk = 0.0027473 k( 28) = ( 0.0000000 0.0000000 0.2547170), wk = 0.0027473 k( 29) = ( 0.0000000 0.0000000 0.2641509), wk = 0.0027473 k( 30) = ( 0.0000000 0.0000000 0.2735849), wk = 0.0027473 k( 31) = ( 0.0000000 0.0000000 0.2830189), wk = 0.0027473 k( 32) = ( 0.0000000 0.0000000 0.2924528), wk = 0.0027473 k( 33) = ( 0.0000000 0.0000000 0.3018868), wk = 0.0027473 k( 34) = ( 0.0000000 0.0000000 0.3113207), wk = 0.0027473 k( 35) = ( 0.0000000 0.0000000 0.3207547), wk = 0.0027473 k( 36) = ( 0.0000000 0.0000000 0.3301887), wk = 0.0027473 k( 37) = ( 0.0000000 0.0000000 0.3396226), wk = 0.0027473 k( 38) = ( 0.0000000 0.0000000 0.3490566), wk = 0.0027473 k( 39) = ( 0.0000000 0.0000000 0.3584906), wk = 0.0027473 k( 40) = ( 0.0000000 0.0000000 0.3679245), wk = 0.0027473 k( 41) = ( 0.0000000 0.0000000 0.3773585), wk = 0.0027473 k( 42) = ( 0.0000000 0.0000000 0.3867925), wk = 0.0027473 k( 43) = ( 0.0000000 0.0000000 0.3962264), wk = 0.0027473 k( 44) = ( 0.0000000 0.0000000 0.4056604), wk = 0.0027473 k( 45) = ( 0.0000000 0.0000000 0.4150943), wk = 0.0027473 k( 46) = ( 0.0000000 0.0000000 0.4245283), wk = 0.0027473 k( 47) = ( 0.0000000 0.0000000 0.4339623), wk = 0.0027473 k( 48) = ( 0.0000000 0.0000000 0.4433962), wk = 0.0027473 k( 49) = ( 0.0000000 0.0000000 0.4528302), wk = 0.0027473 k( 50) = ( 0.0000000 0.0000000 0.4622641), wk = 0.0027473 k( 51) = ( 0.0000000 0.0000000 0.4716981), wk = 0.0027473 k( 52) = ( 0.0000000 0.0000000 0.4811321), wk = 0.0027473 k( 53) = ( 0.0000000 0.0000000 0.4905660), wk = 0.0027473 k( 54) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027473 k( 55) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027473 k( 56) = ( -0.0093242 0.0093242 0.5000000), wk = 0.0027473 k( 57) = ( -0.0186484 0.0186484 0.5000000), wk = 0.0027473 k( 58) = ( -0.0279726 0.0279726 0.5000000), wk = 0.0027473 k( 59) = ( -0.0372968 0.0372968 0.5000000), wk = 0.0027473 k( 60) = ( -0.0466211 0.0466211 0.5000000), wk = 0.0027473 k( 61) = ( -0.0559453 0.0559453 0.5000000), wk = 0.0027473 k( 62) = ( -0.0652695 0.0652695 0.5000000), wk = 0.0027473 k( 63) = ( -0.0745937 0.0745937 0.5000000), wk = 0.0027473 k( 64) = ( -0.0839179 0.0839179 0.5000000), wk = 0.0027473 k( 65) = ( -0.0932421 0.0932421 0.5000000), wk = 0.0027473 k( 66) = ( -0.1025663 0.1025663 0.5000000), wk = 0.0027473 k( 67) = ( -0.1118906 0.1118905 0.5000000), wk = 0.0027473 k( 68) = ( -0.1212148 0.1212148 0.5000000), wk = 0.0027473 k( 69) = ( -0.1305390 0.1305390 0.5000000), wk = 0.0027473 k( 70) = ( -0.1398632 0.1398632 0.5000000), wk = 0.0027473 k( 71) = ( -0.1398632 0.1398632 0.5000000), wk = 0.0027473 k( 72) = ( -0.1465324 0.1465324 0.4933308), wk = 0.0027473 k( 73) = ( -0.1532016 0.1532016 0.4866616), wk = 0.0027473 k( 74) = ( -0.1598708 0.1598708 0.4799924), wk = 0.0027473 k( 75) = ( -0.1665400 0.1665400 0.4733232), wk = 0.0027473 k( 76) = ( -0.1732092 0.1732092 0.4666540), wk = 0.0027473 k( 77) = ( -0.1798784 0.1798784 0.4599848), wk = 0.0027473 k( 78) = ( -0.1865476 0.1865476 0.4533156), wk = 0.0027473 k( 79) = ( -0.1932168 0.1932168 0.4466464), wk = 0.0027473 k( 80) = ( -0.1998860 0.1998860 0.4399772), wk = 0.0027473 k( 81) = ( -0.2065552 0.2065552 0.4333080), wk = 0.0027473 k( 82) = ( -0.2132244 0.2132244 0.4266388), wk = 0.0027473 k( 83) = ( -0.2198936 0.2198936 0.4199696), wk = 0.0027473 k( 84) = ( -0.2265628 0.2265628 0.4133004), wk = 0.0027473 k( 85) = ( -0.2332320 0.2332320 0.4066312), wk = 0.0027473 k( 86) = ( -0.2399012 0.2399012 0.3999620), wk = 0.0027473 k( 87) = ( -0.2465704 0.2465704 0.3932928), wk = 0.0027473 k( 88) = ( -0.2532396 0.2532396 0.3866236), wk = 0.0027473 k( 89) = ( -0.2599088 0.2599088 0.3799544), wk = 0.0027473 k( 90) = ( -0.2665780 0.2665780 0.3732852), wk = 0.0027473 k( 91) = ( -0.2732472 0.2732472 0.3666160), wk = 0.0027473 k( 92) = ( -0.2799164 0.2799164 0.3599468), wk = 0.0027473 k( 93) = ( -0.2865856 0.2865856 0.3532776), wk = 0.0027473 k( 94) = ( -0.2932548 0.2932548 0.3466084), wk = 0.0027473 k( 95) = ( -0.2999240 0.2999240 0.3399392), wk = 0.0027473 k( 96) = ( -0.3065932 0.3065932 0.3332700), wk = 0.0027473 k( 97) = ( -0.3132624 0.3132624 0.3266008), wk = 0.0027473 k( 98) = ( -0.3199316 0.3199316 0.3199316), wk = 0.0027473 k( 99) = ( -0.3199316 0.3199316 0.3199316), wk = 0.0027473 k( 100) = ( -0.3132664 0.3132663 0.3132664), wk = 0.0027473 k( 101) = ( -0.3066011 0.3066011 0.3066011), wk = 0.0027473 k( 102) = ( -0.2999359 0.2999359 0.2999359), wk = 0.0027473 k( 103) = ( -0.2932706 0.2932706 0.2932706), wk = 0.0027473 k( 104) = ( -0.2866054 0.2866054 0.2866054), wk = 0.0027473 k( 105) = ( -0.2799401 0.2799401 0.2799401), wk = 0.0027473 k( 106) = ( -0.2732749 0.2732749 0.2732749), wk = 0.0027473 k( 107) = ( -0.2666097 0.2666097 0.2666097), wk = 0.0027473 k( 108) = ( -0.2599444 0.2599444 0.2599444), wk = 0.0027473 k( 109) = ( -0.2532792 0.2532792 0.2532792), wk = 0.0027473 k( 110) = ( -0.2466139 0.2466139 0.2466139), wk = 0.0027473 k( 111) = ( -0.2399487 0.2399487 0.2399487), wk = 0.0027473 k( 112) = ( -0.2332835 0.2332835 0.2332835), wk = 0.0027473 k( 113) = ( -0.2266182 0.2266182 0.2266182), wk = 0.0027473 k( 114) = ( -0.2199530 0.2199530 0.2199530), wk = 0.0027473 k( 115) = ( -0.2132877 0.2132877 0.2132877), wk = 0.0027473 k( 116) = ( -0.2066225 0.2066225 0.2066225), wk = 0.0027473 k( 117) = ( -0.1999573 0.1999572 0.1999572), wk = 0.0027473 k( 118) = ( -0.1932920 0.1932920 0.1932920), wk = 0.0027473 k( 119) = ( -0.1866268 0.1866268 0.1866268), wk = 0.0027473 k( 120) = ( -0.1799615 0.1799615 0.1799615), wk = 0.0027473 k( 121) = ( -0.1732963 0.1732963 0.1732963), wk = 0.0027473 k( 122) = ( -0.1666310 0.1666310 0.1666310), wk = 0.0027473 k( 123) = ( -0.1599658 0.1599658 0.1599658), wk = 0.0027473 k( 124) = ( -0.1533006 0.1533006 0.1533006), wk = 0.0027473 k( 125) = ( -0.1466353 0.1466353 0.1466353), wk = 0.0027473 k( 126) = ( -0.1399701 0.1399701 0.1399701), wk = 0.0027473 k( 127) = ( -0.1333048 0.1333048 0.1333048), wk = 0.0027473 k( 128) = ( -0.1266396 0.1266396 0.1266396), wk = 0.0027473 k( 129) = ( -0.1199743 0.1199744 0.1199743), wk = 0.0027473 k( 130) = ( -0.1133091 0.1133091 0.1133091), wk = 0.0027473 k( 131) = ( -0.1066439 0.1066439 0.1066439), wk = 0.0027473 k( 132) = ( -0.0999786 0.0999786 0.0999786), wk = 0.0027473 k( 133) = ( -0.0933134 0.0933134 0.0933134), wk = 0.0027473 k( 134) = ( -0.0866481 0.0866481 0.0866481), wk = 0.0027473 k( 135) = ( -0.0799829 0.0799829 0.0799829), wk = 0.0027473 k( 136) = ( -0.0733177 0.0733177 0.0733177), wk = 0.0027473 k( 137) = ( -0.0666524 0.0666524 0.0666524), wk = 0.0027473 k( 138) = ( -0.0599872 0.0599872 0.0599872), wk = 0.0027473 k( 139) = ( -0.0533219 0.0533219 0.0533219), wk = 0.0027473 k( 140) = ( -0.0466567 0.0466567 0.0466567), wk = 0.0027473 k( 141) = ( -0.0399914 0.0399915 0.0399914), wk = 0.0027473 k( 142) = ( -0.0333262 0.0333262 0.0333262), wk = 0.0027473 k( 143) = ( -0.0266610 0.0266610 0.0266610), wk = 0.0027473 k( 144) = ( -0.0199957 0.0199957 0.0199957), wk = 0.0027473 k( 145) = ( -0.0133305 0.0133305 0.0133305), wk = 0.0027473 k( 146) = ( -0.0066652 0.0066652 0.0066652), wk = 0.0027473 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027473 k( 148) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027473 k( 149) = ( 0.0125000 0.0125000 -0.0125000), wk = 0.0027473 k( 150) = ( 0.0250000 0.0250000 -0.0250000), wk = 0.0027473 k( 151) = ( 0.0375000 0.0375000 -0.0375000), wk = 0.0027473 k( 152) = ( 0.0500000 0.0500000 -0.0500000), wk = 0.0027473 k( 153) = ( 0.0625000 0.0625000 -0.0625000), wk = 0.0027473 k( 154) = ( 0.0750000 0.0750000 -0.0750000), wk = 0.0027473 k( 155) = ( 0.0875000 0.0875000 -0.0875000), wk = 0.0027473 k( 156) = ( 0.1000000 0.1000000 -0.1000000), wk = 0.0027473 k( 157) = ( 0.1125000 0.1125000 -0.1125000), wk = 0.0027473 k( 158) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0027473 k( 159) = ( 0.1375000 0.1375000 -0.1375000), wk = 0.0027473 k( 160) = ( 0.1500000 0.1500000 -0.1500000), wk = 0.0027473 k( 161) = ( 0.1625000 0.1625000 -0.1625000), wk = 0.0027473 k( 162) = ( 0.1750000 0.1750000 -0.1750000), wk = 0.0027473 k( 163) = ( 0.1875000 0.1875000 -0.1875000), wk = 0.0027473 k( 164) = ( 0.2000000 0.2000000 -0.2000000), wk = 0.0027473 k( 165) = ( 0.2125000 0.2125000 -0.2125000), wk = 0.0027473 k( 166) = ( 0.2250000 0.2250000 -0.2250000), wk = 0.0027473 k( 167) = ( 0.2375000 0.2375000 -0.2375000), wk = 0.0027473 k( 168) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0027473 k( 169) = ( 0.2625000 0.2625000 -0.2625000), wk = 0.0027473 k( 170) = ( 0.2750000 0.2750000 -0.2750000), wk = 0.0027473 k( 171) = ( 0.2875000 0.2875000 -0.2875000), wk = 0.0027473 k( 172) = ( 0.3000000 0.3000000 -0.3000000), wk = 0.0027473 k( 173) = ( 0.3125000 0.3125000 -0.3125000), wk = 0.0027473 k( 174) = ( 0.3250000 0.3250000 -0.3250000), wk = 0.0027473 k( 175) = ( 0.3375000 0.3375000 -0.3375000), wk = 0.0027473 k( 176) = ( 0.3500000 0.3500000 -0.3500000), wk = 0.0027473 k( 177) = ( 0.3625000 0.3625000 -0.3625000), wk = 0.0027473 k( 178) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0027473 k( 179) = ( 0.3875000 0.3875000 -0.3875000), wk = 0.0027473 k( 180) = ( 0.4000000 0.4000000 -0.4000000), wk = 0.0027473 k( 181) = ( 0.4125000 0.4125000 -0.4125000), wk = 0.0027473 k( 182) = ( 0.4250000 0.4250000 -0.4250000), wk = 0.0027473 k( 183) = ( 0.4375000 0.4375000 -0.4375000), wk = 0.0027473 k( 184) = ( 0.4500000 0.4500000 -0.4500000), wk = 0.0027473 k( 185) = ( 0.4625000 0.4625000 -0.4625000), wk = 0.0027473 k( 186) = ( 0.4750000 0.4750000 -0.4750000), wk = 0.0027473 k( 187) = ( 0.4875000 0.4875000 -0.4875000), wk = 0.0027473 k( 188) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0027473 k( 189) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0027473 k( 190) = ( 0.4933308 0.5066692 -0.4933308), wk = 0.0027473 k( 191) = ( 0.4866616 0.5133384 -0.4866616), wk = 0.0027473 k( 192) = ( 0.4799924 0.5200076 -0.4799924), wk = 0.0027473 k( 193) = ( 0.4733232 0.5266768 -0.4733232), wk = 0.0027473 k( 194) = ( 0.4666540 0.5333460 -0.4666540), wk = 0.0027473 k( 195) = ( 0.4599848 0.5400152 -0.4599848), wk = 0.0027473 k( 196) = ( 0.4533156 0.5466844 -0.4533156), wk = 0.0027473 k( 197) = ( 0.4466464 0.5533536 -0.4466464), wk = 0.0027473 k( 198) = ( 0.4399772 0.5600228 -0.4399772), wk = 0.0027473 k( 199) = ( 0.4333080 0.5666920 -0.4333080), wk = 0.0027473 k( 200) = ( 0.4266388 0.5733612 -0.4266388), wk = 0.0027473 k( 201) = ( 0.4199696 0.5800304 -0.4199696), wk = 0.0027473 k( 202) = ( 0.4133004 0.5866996 -0.4133004), wk = 0.0027473 k( 203) = ( 0.4066312 0.5933688 -0.4066312), wk = 0.0027473 k( 204) = ( 0.3999620 0.6000380 -0.3999620), wk = 0.0027473 k( 205) = ( 0.3932928 0.6067072 -0.3932928), wk = 0.0027473 k( 206) = ( 0.3866236 0.6133764 -0.3866236), wk = 0.0027473 k( 207) = ( 0.3799544 0.6200456 -0.3799544), wk = 0.0027473 k( 208) = ( 0.3732852 0.6267148 -0.3732852), wk = 0.0027473 k( 209) = ( 0.3666160 0.6333840 -0.3666160), wk = 0.0027473 k( 210) = ( 0.3599468 0.6400532 -0.3599468), wk = 0.0027473 k( 211) = ( 0.3532776 0.6467224 -0.3532776), wk = 0.0027473 k( 212) = ( 0.3466084 0.6533916 -0.3466084), wk = 0.0027473 k( 213) = ( 0.3399392 0.6600608 -0.3399392), wk = 0.0027473 k( 214) = ( 0.3332700 0.6667300 -0.3332700), wk = 0.0027473 k( 215) = ( 0.3266008 0.6733992 -0.3266008), wk = 0.0027473 k( 216) = ( 0.3199316 0.6800684 -0.3199316), wk = 0.0027473 k( 217) = ( 0.3199316 0.6800684 -0.3199316), wk = 0.0027473 k( 218) = ( 0.3060215 0.6722393 -0.3060215), wk = 0.0027473 k( 219) = ( 0.2921115 0.6644103 -0.2921115), wk = 0.0027473 k( 220) = ( 0.2782014 0.6565812 -0.2782014), wk = 0.0027473 k( 221) = ( 0.2642913 0.6487522 -0.2642913), wk = 0.0027473 k( 222) = ( 0.2503812 0.6409231 -0.2503812), wk = 0.0027473 k( 223) = ( 0.2364712 0.6330940 -0.2364712), wk = 0.0027473 k( 224) = ( 0.2225611 0.6252650 -0.2225611), wk = 0.0027473 k( 225) = ( 0.2086510 0.6174359 -0.2086510), wk = 0.0027473 k( 226) = ( 0.1947410 0.6096069 -0.1947410), wk = 0.0027473 k( 227) = ( 0.1808309 0.6017778 -0.1808309), wk = 0.0027473 k( 228) = ( 0.1669208 0.5939487 -0.1669208), wk = 0.0027473 k( 229) = ( 0.1530108 0.5861197 -0.1530108), wk = 0.0027473 k( 230) = ( 0.1391007 0.5782906 -0.1391007), wk = 0.0027473 k( 231) = ( 0.1251906 0.5704615 -0.1251906), wk = 0.0027473 k( 232) = ( 0.1112806 0.5626325 -0.1112806), wk = 0.0027473 k( 233) = ( 0.0973705 0.5548034 -0.0973705), wk = 0.0027473 k( 234) = ( 0.0834604 0.5469744 -0.0834604), wk = 0.0027473 k( 235) = ( 0.0695503 0.5391453 -0.0695503), wk = 0.0027473 k( 236) = ( 0.0556403 0.5313162 -0.0556403), wk = 0.0027473 k( 237) = ( 0.0417302 0.5234872 -0.0417302), wk = 0.0027473 k( 238) = ( 0.0278201 0.5156581 -0.0278201), wk = 0.0027473 k( 239) = ( 0.0139101 0.5078291 -0.0139101), wk = 0.0027473 k( 240) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027473 k( 241) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027473 k( 242) = ( 0.0067568 0.4932432 0.0067568), wk = 0.0027473 k( 243) = ( 0.0135135 0.4864865 0.0135135), wk = 0.0027473 k( 244) = ( 0.0202703 0.4797297 0.0202703), wk = 0.0027473 k( 245) = ( 0.0270270 0.4729730 0.0270270), wk = 0.0027473 k( 246) = ( 0.0337838 0.4662162 0.0337838), wk = 0.0027473 k( 247) = ( 0.0405405 0.4594595 0.0405405), wk = 0.0027473 k( 248) = ( 0.0472973 0.4527027 0.0472973), wk = 0.0027473 k( 249) = ( 0.0540540 0.4459459 0.0540541), wk = 0.0027473 k( 250) = ( 0.0608108 0.4391892 0.0608108), wk = 0.0027473 k( 251) = ( 0.0675676 0.4324324 0.0675676), wk = 0.0027473 k( 252) = ( 0.0743243 0.4256757 0.0743243), wk = 0.0027473 k( 253) = ( 0.0810811 0.4189189 0.0810811), wk = 0.0027473 k( 254) = ( 0.0878378 0.4121622 0.0878378), wk = 0.0027473 k( 255) = ( 0.0945946 0.4054054 0.0945946), wk = 0.0027473 k( 256) = ( 0.1013514 0.3986486 0.1013514), wk = 0.0027473 k( 257) = ( 0.1081081 0.3918919 0.1081081), wk = 0.0027473 k( 258) = ( 0.1148649 0.3851351 0.1148649), wk = 0.0027473 k( 259) = ( 0.1216216 0.3783784 0.1216216), wk = 0.0027473 k( 260) = ( 0.1283784 0.3716216 0.1283784), wk = 0.0027473 k( 261) = ( 0.1351351 0.3648649 0.1351351), wk = 0.0027473 k( 262) = ( 0.1418919 0.3581081 0.1418919), wk = 0.0027473 k( 263) = ( 0.1486486 0.3513514 0.1486486), wk = 0.0027473 k( 264) = ( 0.1554054 0.3445946 0.1554054), wk = 0.0027473 k( 265) = ( 0.1621622 0.3378378 0.1621622), wk = 0.0027473 k( 266) = ( 0.1689189 0.3310811 0.1689189), wk = 0.0027473 k( 267) = ( 0.1756757 0.3243243 0.1756757), wk = 0.0027473 k( 268) = ( 0.1824324 0.3175676 0.1824324), wk = 0.0027473 k( 269) = ( 0.1891892 0.3108108 0.1891892), wk = 0.0027473 k( 270) = ( 0.1959460 0.3040541 0.1959459), wk = 0.0027473 k( 271) = ( 0.2027027 0.2972973 0.2027027), wk = 0.0027473 k( 272) = ( 0.2094595 0.2905405 0.2094595), wk = 0.0027473 k( 273) = ( 0.2162162 0.2837838 0.2162162), wk = 0.0027473 k( 274) = ( 0.2229730 0.2770270 0.2229730), wk = 0.0027473 k( 275) = ( 0.2297297 0.2702703 0.2297297), wk = 0.0027473 k( 276) = ( 0.2364865 0.2635135 0.2364865), wk = 0.0027473 k( 277) = ( 0.2432432 0.2567568 0.2432432), wk = 0.0027473 k( 278) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0027473 k( 279) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0027473 k( 280) = ( 0.2600000 0.2600000 0.2344055), wk = 0.0027473 k( 281) = ( 0.2700000 0.2700000 0.2188109), wk = 0.0027473 k( 282) = ( 0.2800000 0.2800000 0.2032164), wk = 0.0027473 k( 283) = ( 0.2900000 0.2900000 0.1876219), wk = 0.0027473 k( 284) = ( 0.3000000 0.3000000 0.1720274), wk = 0.0027473 k( 285) = ( 0.3100000 0.3100000 0.1564328), wk = 0.0027473 k( 286) = ( 0.3200000 0.3200000 0.1408383), wk = 0.0027473 k( 287) = ( 0.3300000 0.3300000 0.1252438), wk = 0.0027473 k( 288) = ( 0.3400000 0.3400000 0.1096492), wk = 0.0027473 k( 289) = ( 0.3500000 0.3500000 0.0940547), wk = 0.0027473 k( 290) = ( 0.3600000 0.3600000 0.0784602), wk = 0.0027473 k( 291) = ( 0.3700000 0.3700000 0.0628657), wk = 0.0027473 k( 292) = ( 0.3800000 0.3800000 0.0472711), wk = 0.0027473 k( 293) = ( 0.3900000 0.3900000 0.0316766), wk = 0.0027473 k( 294) = ( 0.4000000 0.4000000 0.0160821), wk = 0.0027473 k( 295) = ( 0.4100000 0.4100000 0.0004876), wk = 0.0027473 k( 296) = ( 0.4200000 0.4200000 -0.0151070), wk = 0.0027473 k( 297) = ( 0.4300000 0.4300000 -0.0307015), wk = 0.0027473 k( 298) = ( 0.4400000 0.4400000 -0.0462960), wk = 0.0027473 k( 299) = ( 0.4500000 0.4500000 -0.0618905), wk = 0.0027473 k( 300) = ( 0.4600000 0.4600000 -0.0774851), wk = 0.0027473 k( 301) = ( 0.4700000 0.4700000 -0.0930796), wk = 0.0027473 k( 302) = ( 0.4800000 0.4800000 -0.1086741), wk = 0.0027473 k( 303) = ( 0.4900000 0.4900000 -0.1242687), wk = 0.0027473 k( 304) = ( 0.5000000 0.5000000 -0.1398632), wk = 0.0027473 k( 305) = ( 0.5000000 0.5000000 -0.1398632), wk = 0.0027473 k( 306) = ( 0.5000000 0.5000000 -0.1493405), wk = 0.0027473 k( 307) = ( 0.5000000 0.5000000 -0.1588178), wk = 0.0027473 k( 308) = ( 0.5000000 0.5000000 -0.1682951), wk = 0.0027473 k( 309) = ( 0.5000000 0.5000000 -0.1777723), wk = 0.0027473 k( 310) = ( 0.5000000 0.5000000 -0.1872496), wk = 0.0027473 k( 311) = ( 0.5000000 0.5000000 -0.1967269), wk = 0.0027473 k( 312) = ( 0.5000000 0.5000000 -0.2062042), wk = 0.0027473 k( 313) = ( 0.5000000 0.5000000 -0.2156815), wk = 0.0027473 k( 314) = ( 0.5000000 0.5000000 -0.2251588), wk = 0.0027473 k( 315) = ( 0.5000000 0.5000000 -0.2346360), wk = 0.0027473 k( 316) = ( 0.5000000 0.5000000 -0.2441133), wk = 0.0027473 k( 317) = ( 0.5000000 0.5000000 -0.2535906), wk = 0.0027473 k( 318) = ( 0.5000000 0.5000000 -0.2630679), wk = 0.0027473 k( 319) = ( 0.5000000 0.5000000 -0.2725452), wk = 0.0027473 k( 320) = ( 0.5000000 0.5000000 -0.2820225), wk = 0.0027473 k( 321) = ( 0.5000000 0.5000000 -0.2914997), wk = 0.0027473 k( 322) = ( 0.5000000 0.5000000 -0.3009770), wk = 0.0027473 k( 323) = ( 0.5000000 0.5000000 -0.3104543), wk = 0.0027473 k( 324) = ( 0.5000000 0.5000000 -0.3199316), wk = 0.0027473 k( 325) = ( 0.5000000 0.5000000 -0.3294089), wk = 0.0027473 k( 326) = ( 0.5000000 0.5000000 -0.3388862), wk = 0.0027473 k( 327) = ( 0.5000000 0.5000000 -0.3483635), wk = 0.0027473 k( 328) = ( 0.5000000 0.5000000 -0.3578407), wk = 0.0027473 k( 329) = ( 0.5000000 0.5000000 -0.3673180), wk = 0.0027473 k( 330) = ( 0.5000000 0.5000000 -0.3767953), wk = 0.0027473 k( 331) = ( 0.5000000 0.5000000 -0.3862726), wk = 0.0027473 k( 332) = ( 0.5000000 0.5000000 -0.3957499), wk = 0.0027473 k( 333) = ( 0.5000000 0.5000000 -0.4052272), wk = 0.0027473 k( 334) = ( 0.5000000 0.5000000 -0.4147044), wk = 0.0027473 k( 335) = ( 0.5000000 0.5000000 -0.4241817), wk = 0.0027473 k( 336) = ( 0.5000000 0.5000000 -0.4336590), wk = 0.0027473 k( 337) = ( 0.5000000 0.5000000 -0.4431363), wk = 0.0027473 k( 338) = ( 0.5000000 0.5000000 -0.4526136), wk = 0.0027473 k( 339) = ( 0.5000000 0.5000000 -0.4620909), wk = 0.0027473 k( 340) = ( 0.5000000 0.5000000 -0.4715682), wk = 0.0027473 k( 341) = ( 0.5000000 0.5000000 -0.4810454), wk = 0.0027473 k( 342) = ( 0.5000000 0.5000000 -0.4905227), wk = 0.0027473 k( 343) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0027473 k( 344) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027473 k( 345) = ( 0.0125000 0.0125000 0.4875000), wk = 0.0027473 k( 346) = ( 0.0250000 0.0250000 0.4750000), wk = 0.0027473 k( 347) = ( 0.0375000 0.0375000 0.4625000), wk = 0.0027473 k( 348) = ( 0.0500000 0.0500000 0.4500000), wk = 0.0027473 k( 349) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0027473 k( 350) = ( 0.0750000 0.0750000 0.4250000), wk = 0.0027473 k( 351) = ( 0.0875000 0.0875000 0.4125000), wk = 0.0027473 k( 352) = ( 0.1000000 0.1000000 0.4000000), wk = 0.0027473 k( 353) = ( 0.1125000 0.1125000 0.3875000), wk = 0.0027473 k( 354) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0027473 k( 355) = ( 0.1375000 0.1375000 0.3625000), wk = 0.0027473 k( 356) = ( 0.1500000 0.1500000 0.3500000), wk = 0.0027473 k( 357) = ( 0.1625000 0.1625000 0.3375000), wk = 0.0027473 k( 358) = ( 0.1750000 0.1750000 0.3250000), wk = 0.0027473 k( 359) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0027473 k( 360) = ( 0.2000000 0.2000000 0.3000000), wk = 0.0027473 k( 361) = ( 0.2125000 0.2125000 0.2875000), wk = 0.0027473 k( 362) = ( 0.2250000 0.2250000 0.2750000), wk = 0.0027473 k( 363) = ( 0.2375000 0.2375000 0.2625000), wk = 0.0027473 k( 364) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0027473 Dense grid: 46543 G-vectors FFT dimensions: ( 54, 54, 54) Smooth grid: 23351 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.12 Mb ( 158, 50) NL pseudopotentials 0.11 Mb ( 79, 90) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.01 Mb ( 1294) G-vector shells 0.00 Mb ( 612) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.48 Mb ( 158, 200) Each subspace H/S matrix 0.04 Mb ( 50, 50) Each matrix 0.14 Mb ( 90, 2, 50) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./PbF4.save/charge-density.dat Starting wfc are 50 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.7 secs Computing kpt #: 2 total cpu time spent up to now is 3.2 secs Computing kpt #: 3 total cpu time spent up to now is 3.5 secs Computing kpt #: 4 total cpu time spent up to now is 3.8 secs Computing kpt #: 5 total cpu time spent up to now is 4.2 secs Computing kpt #: 6 total cpu time spent up to now is 4.5 secs Computing kpt #: 7 total cpu time spent up to now is 4.9 secs Computing kpt #: 8 total cpu time spent up to now is 5.2 secs Computing kpt #: 9 total cpu time spent up to now is 5.6 secs Computing kpt #: 10 total cpu time spent up to now is 5.9 secs Computing kpt #: 11 total cpu time spent up to now is 6.2 secs Computing kpt #: 12 total cpu time spent up to now is 6.6 secs Computing kpt #: 13 total cpu time spent up to now is 6.9 secs Computing kpt #: 14 total cpu time spent up to now is 7.3 secs Computing kpt #: 15 total cpu time spent up to now is 7.6 secs Computing kpt #: 16 total cpu time spent up to now is 8.0 secs Computing kpt #: 17 total cpu time spent up to now is 8.3 secs Computing kpt #: 18 total cpu time spent up to now is 8.7 secs Computing kpt #: 19 total cpu time spent up to now is 9.0 secs Computing kpt #: 20 total cpu time spent up to now is 9.3 secs Computing kpt #: 21 total cpu time spent up to now is 9.7 secs Computing kpt #: 22 total cpu time spent up to now is 10.0 secs Computing kpt #: 23 total cpu time spent up to now is 10.4 secs Computing kpt #: 24 total cpu time spent up to now is 10.7 secs Computing kpt #: 25 total cpu time spent up to now is 11.0 secs Computing kpt #: 26 total cpu time spent up to now is 11.4 secs Computing kpt #: 27 total cpu time spent up to now is 11.7 secs Computing kpt #: 28 total cpu time spent up to now is 12.0 secs Computing kpt #: 29 total cpu time spent up to now is 12.3 secs Computing kpt #: 30 total cpu time spent up to now is 12.7 secs Computing kpt #: 31 total cpu time spent up to now is 13.0 secs Computing kpt #: 32 total cpu time spent up to now is 13.3 secs Computing kpt #: 33 total cpu time spent up to now is 13.6 secs Computing kpt #: 34 total cpu time spent up to now is 13.9 secs Computing kpt #: 35 total cpu time spent up to now is 14.2 secs Computing kpt #: 36 total cpu time spent up to now is 14.5 secs Computing kpt #: 37 total cpu time spent up to now is 14.8 secs Computing kpt #: 38 total cpu time spent up to now is 15.1 secs Computing kpt #: 39 total cpu time spent up to now is 15.4 secs Computing kpt #: 40 total cpu time spent up to now is 15.7 secs Computing kpt #: 41 total cpu time spent up to now is 16.0 secs Computing kpt #: 42 total cpu time spent up to now is 16.3 secs Computing kpt #: 43 total cpu time spent up to now is 16.6 secs Computing kpt #: 44 total cpu time spent up to now is 17.0 secs Computing kpt #: 45 total cpu time spent up to now is 17.3 secs Computing kpt #: 46 total cpu time spent up to now is 17.6 secs Computing kpt #: 47 total cpu time spent up to now is 17.9 secs Computing kpt #: 48 total cpu time spent up to now is 18.2 secs Computing kpt #: 49 total cpu time spent up to now is 18.5 secs Computing kpt #: 50 total cpu time spent up to now is 18.8 secs Computing kpt #: 51 total cpu time spent up to now is 19.0 secs Computing kpt #: 52 total cpu time spent up to now is 19.3 secs Computing kpt #: 53 total cpu time spent up to now is 19.6 secs Computing kpt #: 54 total cpu time spent up to now is 19.9 secs Computing kpt #: 55 total cpu time spent up to now is 20.2 secs Computing kpt #: 56 total cpu time spent up to now is 20.5 secs Computing kpt #: 57 total cpu time spent up to now is 20.8 secs Computing kpt #: 58 total cpu time spent up to now is 21.1 secs Computing kpt #: 59 total cpu time spent up to now is 21.4 secs Computing kpt #: 60 total cpu time spent up to now is 21.7 secs Computing kpt #: 61 total cpu time spent up to now is 22.0 secs Computing kpt #: 62 total cpu time spent up to now is 22.3 secs Computing kpt #: 63 total cpu time spent up to now is 22.6 secs Computing kpt #: 64 total cpu time spent up to now is 22.9 secs Computing kpt #: 65 total cpu time spent up to now is 23.2 secs Computing kpt #: 66 total cpu time spent up to now is 23.5 secs Computing kpt #: 67 total cpu time spent up to now is 23.8 secs Computing kpt #: 68 total cpu time spent up to now is 24.1 secs Computing kpt #: 69 total cpu time spent up to now is 24.4 secs Computing kpt #: 70 total cpu time spent up to now is 24.7 secs Computing kpt #: 71 total cpu time spent up to now is 25.0 secs Computing kpt #: 72 total cpu time spent up to now is 25.3 secs Computing kpt #: 73 total cpu time spent up to now is 25.6 secs Computing kpt #: 74 total cpu time spent up to now is 25.9 secs Computing kpt #: 75 total cpu time spent up to now is 26.2 secs Computing kpt #: 76 total cpu time spent up to now is 26.6 secs Computing kpt #: 77 total cpu time spent up to now is 27.1 secs Computing kpt #: 78 total cpu time spent up to now is 27.4 secs Computing kpt #: 79 total cpu time spent up to now is 27.8 secs Computing kpt #: 80 total cpu time spent up to now is 28.1 secs Computing kpt #: 81 total cpu time spent up to now is 28.4 secs Computing kpt #: 82 total cpu time spent up to now is 28.6 secs Computing kpt #: 83 total cpu time spent up to now is 28.9 secs Computing kpt #: 84 total cpu time spent up to now is 29.2 secs Computing kpt #: 85 total cpu time spent up to now is 29.5 secs Computing kpt #: 86 total cpu time spent up to now is 29.8 secs Computing kpt #: 87 total cpu time spent up to now is 30.1 secs Computing kpt #: 88 total cpu time spent up to now is 30.4 secs Computing kpt #: 89 total cpu time spent up to now is 30.7 secs Computing kpt #: 90 total cpu time spent up to now is 31.0 secs Computing kpt #: 91 total cpu time spent up to now is 31.3 secs Computing kpt #: 92 total cpu time spent up to now is 31.6 secs Computing kpt #: 93 total cpu time spent up to now is 31.9 secs Computing kpt #: 94 total cpu time spent up to now is 32.2 secs Computing kpt #: 95 total cpu time spent up to now is 32.5 secs Computing kpt #: 96 total cpu time spent up to now is 32.8 secs Computing kpt #: 97 total cpu time spent up to now is 33.1 secs Computing kpt #: 98 total cpu time spent up to now is 33.4 secs Computing kpt #: 99 total cpu time spent up to now is 33.8 secs Computing kpt #: 100 total cpu time spent up to now is 34.1 secs Computing kpt #: 101 total cpu time spent up to now is 34.4 secs Computing kpt #: 102 total cpu time spent up to now is 34.7 secs Computing kpt #: 103 total cpu time spent up to now is 35.0 secs Computing kpt #: 104 total cpu time spent up to now is 35.2 secs Computing kpt #: 105 total cpu time spent up to now is 35.5 secs Computing kpt #: 106 total cpu time spent up to now is 35.8 secs Computing kpt #: 107 total cpu time spent up to now is 36.1 secs Computing kpt #: 108 total cpu time spent up to now is 36.4 secs Computing kpt #: 109 total cpu time spent up to now is 36.7 secs Computing kpt #: 110 total cpu time spent up to now is 37.0 secs Computing kpt #: 111 total cpu time spent up to now is 37.3 secs Computing kpt #: 112 total cpu time spent up to now is 37.7 secs Computing kpt #: 113 total cpu time spent up to now is 38.0 secs Computing kpt #: 114 total cpu time spent up to now is 38.3 secs Computing kpt #: 115 total cpu time spent up to now is 38.6 secs Computing kpt #: 116 total cpu time spent up to now is 38.9 secs Computing kpt #: 117 total cpu time spent up to now is 39.2 secs Computing kpt #: 118 total cpu time spent up to now is 39.5 secs Computing kpt #: 119 total cpu time spent up to now is 39.8 secs Computing kpt #: 120 total cpu time spent up to now is 40.1 secs Computing kpt #: 121 total cpu time spent up to now is 40.5 secs Computing kpt #: 122 total cpu time spent up to now is 40.8 secs Computing kpt #: 123 total cpu time spent up to now is 41.1 secs Computing kpt #: 124 total cpu time spent up to now is 41.4 secs Computing kpt #: 125 total cpu time spent up to now is 41.8 secs Computing kpt #: 126 total cpu time spent up to now is 42.1 secs Computing kpt #: 127 total cpu time spent up to now is 42.5 secs Computing kpt #: 128 total cpu time spent up to now is 42.9 secs Computing kpt #: 129 total cpu time spent up to now is 43.2 secs Computing kpt #: 130 total cpu time spent up to now is 43.6 secs Computing kpt #: 131 total cpu time spent up to now is 43.9 secs Computing kpt #: 132 total cpu time spent up to now is 44.3 secs Computing kpt #: 133 total cpu time spent up to now is 44.6 secs Computing kpt #: 134 total cpu time spent up to now is 45.0 secs Computing kpt #: 135 total cpu time spent up to now is 45.3 secs Computing kpt #: 136 total cpu time spent up to now is 45.6 secs Computing kpt #: 137 total cpu time spent up to now is 46.0 secs Computing kpt #: 138 total cpu time spent up to now is 46.3 secs Computing kpt #: 139 total cpu time spent up to now is 46.7 secs Computing kpt #: 140 total cpu time spent up to now is 47.0 secs Computing kpt #: 141 total cpu time spent up to now is 47.4 secs Computing kpt #: 142 total cpu time spent up to now is 47.7 secs Computing kpt #: 143 total cpu time spent up to now is 48.0 secs Computing kpt #: 144 total cpu time spent up to now is 48.4 secs Computing kpt #: 145 total cpu time spent up to now is 48.7 secs Computing kpt #: 146 total cpu time spent up to now is 49.0 secs Computing kpt #: 147 total cpu time spent up to now is 49.3 secs Computing kpt #: 148 total cpu time spent up to now is 49.6 secs Computing kpt #: 149 total cpu time spent up to now is 50.0 secs Computing kpt #: 150 total cpu time spent up to now is 50.3 secs Computing kpt #: 151 total cpu time spent up to now is 50.6 secs Computing kpt #: 152 total cpu time spent up to now is 50.9 secs Computing kpt #: 153 total cpu time spent up to now is 51.2 secs Computing kpt #: 154 total cpu time spent up to now is 51.5 secs Computing kpt #: 155 total cpu time spent up to now is 51.9 secs Computing kpt #: 156 total cpu time spent up to now is 52.2 secs Computing kpt #: 157 total cpu time spent up to now is 52.5 secs Computing kpt #: 158 total cpu time spent up to now is 52.8 secs Computing kpt #: 159 total cpu time spent up to now is 53.1 secs Computing kpt #: 160 total cpu time spent up to now is 53.4 secs Computing kpt #: 161 total cpu time spent up to now is 53.7 secs Computing kpt #: 162 total cpu time spent up to now is 54.1 secs Computing kpt #: 163 total cpu time spent up to now is 54.4 secs Computing kpt #: 164 total cpu time spent up to now is 54.7 secs Computing kpt #: 165 total cpu time spent up to now is 55.0 secs Computing kpt #: 166 total cpu time spent up to now is 55.4 secs Computing kpt #: 167 total cpu time spent up to now is 55.7 secs Computing kpt #: 168 total cpu time spent up to now is 56.0 secs Computing kpt #: 169 total cpu time spent up to now is 56.3 secs Computing kpt #: 170 total cpu time spent up to now is 56.7 secs Computing kpt #: 171 total cpu time spent up to now is 57.0 secs Computing kpt #: 172 total cpu time spent up to now is 57.4 secs Computing kpt #: 173 total cpu time spent up to now is 57.7 secs Computing kpt #: 174 total cpu time spent up to now is 58.0 secs Computing kpt #: 175 total cpu time spent up to now is 58.4 secs Computing kpt #: 176 total cpu time spent up to now is 58.7 secs Computing kpt #: 177 total cpu time spent up to now is 59.2 secs Computing kpt #: 178 total cpu time spent up to now is 59.5 secs Computing kpt #: 179 total cpu time spent up to now is 60.0 secs Computing kpt #: 180 total cpu time spent up to now is 60.4 secs Computing kpt #: 181 total cpu time spent up to now is 60.8 secs Computing kpt #: 182 total cpu time spent up to now is 61.2 secs Computing kpt #: 183 total cpu time spent up to now is 61.7 secs Computing kpt #: 184 total cpu time spent up to now is 62.1 secs Computing kpt #: 185 total cpu time spent up to now is 62.5 secs Computing kpt #: 186 total cpu time spent up to now is 62.9 secs Computing kpt #: 187 total cpu time spent up to now is 63.4 secs Computing kpt #: 188 total cpu time spent up to now is 63.8 secs Computing kpt #: 189 total cpu time spent up to now is 64.2 secs Computing kpt #: 190 total cpu time spent up to now is 64.6 secs Computing kpt #: 191 total cpu time spent up to now is 64.9 secs Computing kpt #: 192 total cpu time spent up to now is 65.3 secs Computing kpt #: 193 total cpu time spent up to now is 65.6 secs Computing kpt #: 194 total cpu time spent up to now is 65.9 secs Computing kpt #: 195 total cpu time spent up to now is 66.3 secs Computing kpt #: 196 total cpu time spent up to now is 66.6 secs Computing kpt #: 197 total cpu time spent up to now is 67.0 secs Computing kpt #: 198 total cpu time spent up to now is 67.3 secs Computing kpt #: 199 total cpu time spent up to now is 67.6 secs Computing kpt #: 200 total cpu time spent up to now is 68.0 secs Computing kpt #: 201 total cpu time spent up to now is 68.3 secs Computing kpt #: 202 total cpu time spent up to now is 68.6 secs Computing kpt #: 203 total cpu time spent up to now is 69.0 secs Computing kpt #: 204 total cpu time spent up to now is 69.3 secs Computing kpt #: 205 total cpu time spent up to now is 69.6 secs Computing kpt #: 206 total cpu time spent up to now is 70.0 secs Computing kpt #: 207 total cpu time spent up to now is 70.3 secs Computing kpt #: 208 total cpu time spent up to now is 70.6 secs Computing kpt #: 209 total cpu time spent up to now is 70.9 secs Computing kpt #: 210 total cpu time spent up to now is 71.2 secs Computing kpt #: 211 total cpu time spent up to now is 71.6 secs Computing kpt #: 212 total cpu time spent up to now is 71.9 secs Computing kpt #: 213 total cpu time spent up to now is 72.2 secs Computing kpt #: 214 total cpu time spent up to now is 72.5 secs Computing kpt #: 215 total cpu time spent up to now is 72.8 secs Computing kpt #: 216 total cpu time spent up to now is 73.1 secs Computing kpt #: 217 total cpu time spent up to now is 73.4 secs Computing kpt #: 218 total cpu time spent up to now is 73.7 secs Computing kpt #: 219 total cpu time spent up to now is 74.0 secs Computing kpt #: 220 total cpu time spent up to now is 74.3 secs Computing kpt #: 221 total cpu time spent up to now is 74.6 secs Computing kpt #: 222 total cpu time spent up to now is 74.9 secs Computing kpt #: 223 total cpu time spent up to now is 75.2 secs Computing kpt #: 224 total cpu time spent up to now is 75.5 secs Computing kpt #: 225 total cpu time spent up to now is 75.8 secs Computing kpt #: 226 total cpu time spent up to now is 76.1 secs Computing kpt #: 227 total cpu time spent up to now is 76.4 secs Computing kpt #: 228 total cpu time spent up to now is 76.7 secs Computing kpt #: 229 total cpu time spent up to now is 77.0 secs Computing kpt #: 230 total cpu time spent up to now is 77.4 secs Computing kpt #: 231 total cpu time spent up to now is 77.7 secs Computing kpt #: 232 total cpu time spent up to now is 78.0 secs Computing kpt #: 233 total cpu time spent up to now is 78.3 secs Computing kpt #: 234 total cpu time spent up to now is 78.6 secs Computing kpt #: 235 total cpu time spent up to now is 78.9 secs Computing kpt #: 236 total cpu time spent up to now is 79.2 secs Computing kpt #: 237 total cpu time spent up to now is 79.5 secs Computing kpt #: 238 total cpu time spent up to now is 79.9 secs Computing kpt #: 239 total cpu time spent up to now is 80.2 secs Computing kpt #: 240 total cpu time spent up to now is 80.5 secs Computing kpt #: 241 total cpu time spent up to now is 80.8 secs Computing kpt #: 242 total cpu time spent up to now is 81.1 secs Computing kpt #: 243 total cpu time spent up to now is 81.4 secs Computing kpt #: 244 total cpu time spent up to now is 81.7 secs Computing kpt #: 245 total cpu time spent up to now is 82.0 secs Computing kpt #: 246 total cpu time spent up to now is 82.4 secs Computing kpt #: 247 total cpu time spent up to now is 82.7 secs Computing kpt #: 248 total cpu time spent up to now is 83.0 secs Computing kpt #: 249 total cpu time spent up to now is 83.3 secs Computing kpt #: 250 total cpu time spent up to now is 83.6 secs Computing kpt #: 251 total cpu time spent up to now is 83.9 secs Computing kpt #: 252 total cpu time spent up to now is 84.2 secs Computing kpt #: 253 total cpu time spent up to now is 84.5 secs Computing kpt #: 254 total cpu time spent up to now is 84.8 secs Computing kpt #: 255 total cpu time spent up to now is 85.2 secs Computing kpt #: 256 total cpu time spent up to now is 85.5 secs Computing kpt #: 257 total cpu time spent up to now is 85.8 secs Computing kpt #: 258 total cpu time spent up to now is 86.1 secs Computing kpt #: 259 total cpu time spent up to now is 86.4 secs Computing kpt #: 260 total cpu time spent up to now is 86.7 secs Computing kpt #: 261 total cpu time spent up to now is 87.0 secs Computing kpt #: 262 total cpu time spent up to now is 87.3 secs Computing kpt #: 263 total cpu time spent up to now is 87.6 secs Computing kpt #: 264 total cpu time spent up to now is 87.9 secs Computing kpt #: 265 total cpu time spent up to now is 88.2 secs Computing kpt #: 266 total cpu time spent up to now is 88.5 secs Computing kpt #: 267 total cpu time spent up to now is 88.8 secs Computing kpt #: 268 total cpu time spent up to now is 89.1 secs Computing kpt #: 269 total cpu time spent up to now is 89.4 secs Computing kpt #: 270 total cpu time spent up to now is 89.8 secs Computing kpt #: 271 total cpu time spent up to now is 90.1 secs Computing kpt #: 272 total cpu time spent up to now is 90.4 secs Computing kpt #: 273 total cpu time spent up to now is 90.7 secs Computing kpt #: 274 total cpu time spent up to now is 91.0 secs Computing kpt #: 275 total cpu time spent up to now is 91.3 secs Computing kpt #: 276 total cpu time spent up to now is 91.6 secs Computing kpt #: 277 total cpu time spent up to now is 91.9 secs Computing kpt #: 278 total cpu time spent up to now is 92.2 secs Computing kpt #: 279 total cpu time spent up to now is 92.5 secs Computing kpt #: 280 total cpu time spent up to now is 92.8 secs Computing kpt #: 281 total cpu time spent up to now is 93.1 secs Computing kpt #: 282 total cpu time spent up to now is 93.4 secs Computing kpt #: 283 total cpu time spent up to now is 93.7 secs Computing kpt #: 284 total cpu time spent up to now is 94.0 secs Computing kpt #: 285 total cpu time spent up to now is 94.3 secs Computing kpt #: 286 total cpu time spent up to now is 94.6 secs Computing kpt #: 287 total cpu time spent up to now is 94.9 secs Computing kpt #: 288 total cpu time spent up to now is 95.2 secs Computing kpt #: 289 total cpu time spent up to now is 95.5 secs Computing kpt #: 290 total cpu time spent up to now is 95.8 secs Computing kpt #: 291 total cpu time spent up to now is 96.1 secs Computing kpt #: 292 total cpu time spent up to now is 96.4 secs Computing kpt #: 293 total cpu time spent up to now is 96.7 secs Computing kpt #: 294 total cpu time spent up to now is 97.0 secs Computing kpt #: 295 total cpu time spent up to now is 97.3 secs Computing kpt #: 296 total cpu time spent up to now is 97.6 secs Computing kpt #: 297 total cpu time spent up to now is 97.9 secs Computing kpt #: 298 total cpu time spent up to now is 98.2 secs Computing kpt #: 299 total cpu time spent up to now is 98.5 secs Computing kpt #: 300 total cpu time spent up to now is 98.8 secs Computing kpt #: 301 total cpu time spent up to now is 99.1 secs Computing kpt #: 302 total cpu time spent up to now is 99.4 secs Computing kpt #: 303 total cpu time spent up to now is 99.7 secs Computing kpt #: 304 total cpu time spent up to now is 100.0 secs Computing kpt #: 305 total cpu time spent up to now is 100.3 secs Computing kpt #: 306 total cpu time spent up to now is 100.6 secs Computing kpt #: 307 total cpu time spent up to now is 100.9 secs Computing kpt #: 308 total cpu time spent up to now is 101.2 secs Computing kpt #: 309 total cpu time spent up to now is 101.5 secs Computing kpt #: 310 total cpu time spent up to now is 101.8 secs Computing kpt #: 311 total cpu time spent up to now is 102.1 secs Computing kpt #: 312 total cpu time spent up to now is 102.3 secs Computing kpt #: 313 total cpu time spent up to now is 102.6 secs Computing kpt #: 314 total cpu time spent up to now is 102.9 secs Computing kpt #: 315 total cpu time spent up to now is 103.2 secs Computing kpt #: 316 total cpu time spent up to now is 103.5 secs Computing kpt #: 317 total cpu time spent up to now is 103.8 secs Computing kpt #: 318 total cpu time spent up to now is 104.1 secs Computing kpt #: 319 total cpu time spent up to now is 104.4 secs Computing kpt #: 320 total cpu time spent up to now is 104.7 secs Computing kpt #: 321 total cpu time spent up to now is 105.0 secs Computing kpt #: 322 total cpu time spent up to now is 105.3 secs Computing kpt #: 323 total cpu time spent up to now is 105.6 secs Computing kpt #: 324 total cpu time spent up to now is 105.9 secs Computing kpt #: 325 total cpu time spent up to now is 106.2 secs Computing kpt #: 326 total cpu time spent up to now is 106.6 secs Computing kpt #: 327 total cpu time spent up to now is 106.9 secs Computing kpt #: 328 total cpu time spent up to now is 107.2 secs Computing kpt #: 329 total cpu time spent up to now is 107.5 secs Computing kpt #: 330 total cpu time spent up to now is 107.8 secs Computing kpt #: 331 total cpu time spent up to now is 108.2 secs Computing kpt #: 332 total cpu time spent up to now is 108.5 secs Computing kpt #: 333 total cpu time spent up to now is 108.8 secs Computing kpt #: 334 total cpu time spent up to now is 109.1 secs Computing kpt #: 335 total cpu time spent up to now is 109.5 secs Computing kpt #: 336 total cpu time spent up to now is 109.8 secs Computing kpt #: 337 total cpu time spent up to now is 110.1 secs Computing kpt #: 338 total cpu time spent up to now is 110.5 secs Computing kpt #: 339 total cpu time spent up to now is 110.8 secs Computing kpt #: 340 total cpu time spent up to now is 111.2 secs Computing kpt #: 341 total cpu time spent up to now is 111.5 secs Computing kpt #: 342 total cpu time spent up to now is 111.9 secs Computing kpt #: 343 total cpu time spent up to now is 112.3 secs Computing kpt #: 344 total cpu time spent up to now is 112.6 secs Computing kpt #: 345 total cpu time spent up to now is 112.9 secs Computing kpt #: 346 total cpu time spent up to now is 113.2 secs Computing kpt #: 347 total cpu time spent up to now is 113.5 secs Computing kpt #: 348 total cpu time spent up to now is 113.8 secs Computing kpt #: 349 total cpu time spent up to now is 114.1 secs Computing kpt #: 350 total cpu time spent up to now is 114.4 secs Computing kpt #: 351 total cpu time spent up to now is 114.7 secs Computing kpt #: 352 total cpu time spent up to now is 115.0 secs Computing kpt #: 353 total cpu time spent up to now is 115.3 secs Computing kpt #: 354 total cpu time spent up to now is 115.6 secs Computing kpt #: 355 total cpu time spent up to now is 115.8 secs Computing kpt #: 356 total cpu time spent up to now is 116.1 secs Computing kpt #: 357 total cpu time spent up to now is 116.4 secs Computing kpt #: 358 total cpu time spent up to now is 116.7 secs Computing kpt #: 359 total cpu time spent up to now is 117.0 secs Computing kpt #: 360 total cpu time spent up to now is 117.3 secs Computing kpt #: 361 total cpu time spent up to now is 117.6 secs Computing kpt #: 362 total cpu time spent up to now is 117.9 secs Computing kpt #: 363 total cpu time spent up to now is 118.3 secs Computing kpt #: 364 total cpu time spent up to now is 118.5 secs ethr = 2.38E-08, avg # of iterations = 12.3 total cpu time spent up to now is 118.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2921 PWs) bands (ev): -19.1418 -19.1418 -18.9092 -18.9092 -18.5711 -18.5711 -17.8104 -17.8104 -13.1425 -13.1425 -13.1157 -13.1157 -10.8856 -10.8856 -10.4516 -10.4516 -10.3267 -10.3267 -2.4580 -2.4580 -2.0304 -2.0304 -1.6888 -1.6888 -1.1843 -1.1843 0.6148 0.6148 0.6294 0.6294 0.6782 0.6782 1.0529 1.0529 1.1154 1.1154 1.1425 1.1425 1.7363 1.7363 1.7838 1.7838 4.1964 4.1964 13.0510 13.0510 13.2319 13.2319 14.8567 14.8567 k = 0.0000 0.0000 0.0158 ( 2929 PWs) bands (ev): -19.1414 -19.1414 -18.9090 -18.9090 -18.5711 -18.5711 -17.8105 -17.8105 -13.1429 -13.1429 -13.1158 -13.1158 -10.8856 -10.8856 -10.4520 -10.4520 -10.3279 -10.3279 -2.4645 -2.4645 -2.0470 -2.0470 -1.6635 -1.6635 -1.1833 -1.1833 0.6147 0.6147 0.6291 0.6291 0.6769 0.6769 1.0541 1.0541 1.1163 1.1163 1.1424 1.1424 1.7356 1.7356 1.7831 1.7831 4.1985 4.1985 13.0457 13.0457 13.2361 13.2361 14.8554 14.8554 k = 0.0000 0.0000 0.0315 ( 2925 PWs) bands (ev): -19.1403 -19.1403 -18.9083 -18.9083 -18.5708 -18.5708 -17.8108 -17.8108 -13.1439 -13.1439 -13.1162 -13.1162 -10.8858 -10.8858 -10.4530 -10.4530 -10.3313 -10.3313 -2.4854 -2.4854 -2.0823 -2.0823 -1.6009 -1.6009 -1.1796 -1.1796 0.6142 0.6142 0.6286 0.6286 0.6731 0.6731 1.0574 1.0574 1.1191 1.1191 1.1420 1.1420 1.7335 1.7335 1.7813 1.7813 4.2050 4.2050 13.0309 13.0309 13.2476 13.2476 14.8515 14.8515 k = 0.0000 0.0000 0.0473 ( 2931 PWs) bands (ev): -19.1383 -19.1383 -18.9070 -18.9070 -18.5705 -18.5705 -17.8113 -17.8113 -13.1457 -13.1457 -13.1168 -13.1168 -10.8861 -10.8861 -10.4546 -10.4546 -10.3370 -10.3370 -2.5236 -2.5236 -2.1149 -2.1149 -1.5200 -1.5200 -1.1728 -1.1728 0.6125 0.6125 0.6282 0.6282 0.6671 0.6671 1.0627 1.0627 1.1235 1.1235 1.1415 1.1415 1.7296 1.7296 1.7786 1.7786 4.2158 4.2158 13.0091 13.0091 13.2639 13.2639 14.8450 14.8450 k = 0.0000 0.0000 0.0630 ( 2931 PWs) bands (ev): -19.1356 -19.1356 -18.9054 -18.9054 -18.5700 -18.5700 -17.8119 -17.8119 -13.1483 -13.1483 -13.1176 -13.1176 -10.8864 -10.8864 -10.4569 -10.4569 -10.3450 -10.3450 -2.5802 -2.5802 -2.1339 -2.1339 -1.4324 -1.4324 -1.1614 -1.1614 0.6091 0.6091 0.6282 0.6282 0.6598 0.6598 1.0697 1.0697 1.1293 1.1293 1.1412 1.1412 1.7235 1.7235 1.7757 1.7757 4.2308 4.2308 12.9821 12.9821 13.2829 13.2829 14.8363 14.8363 k = 0.0000 0.0000 0.0788 ( 2931 PWs) bands (ev): -19.1321 -19.1321 -18.9032 -18.9032 -18.5693 -18.5693 -17.8128 -17.8128 -13.1515 -13.1515 -13.1187 -13.1187 -10.8869 -10.8869 -10.4598 -10.4598 -10.3551 -10.3551 -2.6523 -2.6523 -2.1374 -2.1374 -1.3467 -1.3467 -1.1417 -1.1417 0.6036 0.6036 0.6274 0.6274 0.6529 0.6529 1.0783 1.0783 1.1340 1.1340 1.1435 1.1435 1.7148 1.7148 1.7730 1.7730 4.2500 4.2500 12.9512 12.9512 13.3031 13.3031 14.8254 14.8254 k = 0.0000 0.0000 0.0945 ( 2927 PWs) bands (ev): -19.1279 -19.1279 -18.9006 -18.9006 -18.5685 -18.5685 -17.8138 -17.8138 -13.1554 -13.1554 -13.1200 -13.1200 -10.8874 -10.8874 -10.4633 -10.4633 -10.3673 -10.3673 -2.7353 -2.7353 -2.1278 -2.1278 -1.2741 -1.2741 -1.1045 -1.1045 0.5962 0.5962 0.6228 0.6228 0.6496 0.6496 1.0881 1.0881 1.1345 1.1345 1.1514 1.1514 1.7032 1.7032 1.7708 1.7708 4.2734 4.2734 12.9170 12.9170 13.3237 13.3237 14.8127 14.8127 k = 0.0000 0.0000 0.1103 ( 2921 PWs) bands (ev): -19.1229 -19.1229 -18.8975 -18.8975 -18.5676 -18.5676 -17.8150 -17.8150 -13.1600 -13.1600 -13.1216 -13.1216 -10.8880 -10.8880 -10.4675 -10.4675 -10.3816 -10.3816 -2.8252 -2.8252 -2.1080 -2.1080 -1.2257 -1.2257 -1.0404 -1.0404 0.5868 0.5868 0.6135 0.6135 0.6512 0.6512 1.0989 1.0989 1.1334 1.1334 1.1624 1.1624 1.6888 1.6888 1.7693 1.7693 4.3008 4.3008 12.8799 12.8799 13.3440 13.3440 14.7985 14.7985 k = 0.0000 0.0000 0.1260 ( 2917 PWs) bands (ev): -19.1172 -19.1172 -18.8939 -18.8939 -18.5666 -18.5666 -17.8164 -17.8164 -13.1654 -13.1654 -13.1234 -13.1234 -10.8887 -10.8887 -10.4723 -10.4723 -10.3977 -10.3977 -2.9191 -2.9191 -2.0801 -2.0801 -1.1969 -1.1969 -0.9548 -0.9548 0.5754 0.5754 0.6017 0.6017 0.6558 0.6558 1.1099 1.1099 1.1322 1.1322 1.1752 1.1752 1.6718 1.6718 1.7682 1.7682 4.3322 4.3322 12.8399 12.8399 13.3635 13.3635 14.7832 14.7832 k = 0.0000 0.0000 0.1418 ( 2913 PWs) bands (ev): -19.1108 -19.1108 -18.8899 -18.8899 -18.5654 -18.5654 -17.8179 -17.8179 -13.1714 -13.1714 -13.1254 -13.1254 -10.8895 -10.8895 -10.4777 -10.4777 -10.4157 -10.4157 -3.0151 -3.0151 -2.0456 -2.0456 -1.1768 -1.1768 -0.8591 -0.8591 0.5619 0.5619 0.5891 0.5891 0.6621 0.6621 1.1186 1.1186 1.1340 1.1340 1.1891 1.1891 1.6525 1.6525 1.7676 1.7676 4.3676 4.3676 12.7972 12.7972 13.3816 13.3816 14.7672 14.7672 k = 0.0000 0.0000 0.1575 ( 2913 PWs) bands (ev): -19.1036 -19.1036 -18.8855 -18.8855 -18.5641 -18.5641 -17.8196 -17.8196 -13.1782 -13.1782 -13.1276 -13.1276 -10.8905 -10.8905 -10.4838 -10.4838 -10.4353 -10.4353 -3.1122 -3.1122 -2.0055 -2.0055 -1.1598 -1.1598 -0.7594 -0.7594 0.5467 0.5467 0.5761 0.5761 0.6695 0.6695 1.1200 1.1200 1.1436 1.1436 1.2041 1.2041 1.6311 1.6311 1.7673 1.7673 4.4067 4.4067 12.7516 12.7516 13.3980 13.3980 14.7508 14.7508 k = 0.0000 0.0000 0.1733 ( 2921 PWs) bands (ev): -19.0958 -19.0958 -18.8806 -18.8806 -18.5627 -18.5627 -17.8215 -17.8215 -13.1856 -13.1856 -13.1301 -13.1301 -10.8915 -10.8915 -10.4904 -10.4904 -10.4565 -10.4565 -3.2094 -3.2094 -1.9603 -1.9603 -1.1437 -1.1437 -0.6584 -0.6584 0.5300 0.5300 0.5628 0.5628 0.6779 0.6779 1.1176 1.1176 1.1575 1.1575 1.2199 1.2199 1.6079 1.6079 1.7672 1.7672 4.4496 4.4496 12.7032 12.7032 13.4120 13.4120 14.7345 14.7345 k = 0.0000 0.0000 0.1890 ( 2929 PWs) bands (ev): -19.0873 -19.0873 -18.8753 -18.8753 -18.5612 -18.5612 -17.8235 -17.8235 -13.1937 -13.1937 -13.1328 -13.1328 -10.8925 -10.8925 -10.4977 -10.4977 -10.4791 -10.4791 -3.3064 -3.3064 -1.9107 -1.9107 -1.1274 -1.1274 -0.5574 -0.5574 0.5122 0.5122 0.5492 0.5492 0.6872 0.6872 1.1141 1.1141 1.1732 1.1732 1.2362 1.2362 1.5831 1.5831 1.7673 1.7673 4.4961 4.4961 12.6518 12.6518 13.4230 13.4230 14.7183 14.7183 k = 0.0000 0.0000 0.2048 ( 2933 PWs) bands (ev): -19.0782 -19.0782 -18.8696 -18.8696 -18.5596 -18.5596 -17.8256 -17.8256 -13.2025 -13.2025 -13.1357 -13.1357 -10.8937 -10.8937 -10.5068 -10.5068 -10.5017 -10.5017 -3.4026 -3.4026 -1.8571 -1.8571 -1.1105 -1.1105 -0.4571 -0.4571 0.4937 0.4937 0.5351 0.5351 0.6973 0.6973 1.1099 1.1099 1.1900 1.1900 1.2530 1.2530 1.5569 1.5569 1.7675 1.7675 4.5462 4.5462 12.5975 12.5975 13.4306 13.4306 14.7025 14.7025 k = 0.0000 0.0000 0.2205 ( 2925 PWs) bands (ev): -19.0685 -19.0685 -18.8636 -18.8636 -18.5578 -18.5578 -17.8279 -17.8279 -13.2119 -13.2119 -13.1388 -13.1388 -10.8949 -10.8949 -10.5289 -10.5289 -10.5130 -10.5130 -3.4978 -3.4978 -1.7997 -1.7997 -1.0928 -1.0928 -0.3580 -0.3580 0.4746 0.4746 0.5207 0.5207 0.7082 0.7082 1.1052 1.1052 1.2079 1.2079 1.2702 1.2702 1.5297 1.5297 1.7678 1.7678 4.5998 4.5998 12.5403 12.5403 13.4342 13.4342 14.6868 14.6868 k = 0.0000 0.0000 0.2363 ( 2925 PWs) bands (ev): -19.0581 -19.0581 -18.8571 -18.8571 -18.5560 -18.5560 -17.8303 -17.8303 -13.2219 -13.2219 -13.1421 -13.1421 -10.8962 -10.8962 -10.5548 -10.5548 -10.5219 -10.5219 -3.5917 -3.5917 -1.7391 -1.7391 -1.0740 -1.0740 -0.2606 -0.2606 0.4552 0.4552 0.5057 0.5057 0.7197 0.7197 1.1002 1.1002 1.2266 1.2266 1.2877 1.2877 1.5016 1.5016 1.7681 1.7681 4.6569 4.6569 12.4800 12.4800 13.4332 13.4332 14.6706 14.6706 k = 0.0000 0.0000 0.2520 ( 2925 PWs) bands (ev): -19.0472 -19.0472 -18.8503 -18.8503 -18.5542 -18.5542 -17.8328 -17.8328 -13.2326 -13.2326 -13.1457 -13.1457 -10.8976 -10.8976 -10.5818 -10.5818 -10.5312 -10.5312 -3.6842 -3.6842 -1.6756 -1.6756 -1.0540 -1.0540 -0.1652 -0.1652 0.4356 0.4356 0.4904 0.4904 0.7319 0.7319 1.0947 1.0947 1.2461 1.2461 1.3053 1.3053 1.4728 1.4728 1.7685 1.7685 4.7173 4.7173 12.4168 12.4168 13.4272 13.4272 14.6530 14.6530 k = 0.0000 0.0000 0.2678 ( 2913 PWs) bands (ev): -19.0358 -19.0358 -18.8432 -18.8432 -18.5522 -18.5522 -17.8354 -17.8354 -13.2438 -13.2438 -13.1494 -13.1494 -10.8990 -10.8990 -10.6095 -10.6095 -10.5409 -10.5409 -3.7750 -3.7750 -1.6095 -1.6095 -1.0327 -1.0327 -0.0722 -0.0722 0.4158 0.4158 0.4748 0.4748 0.7446 0.7446 1.0888 1.0888 1.2663 1.2663 1.3231 1.3231 1.4436 1.4436 1.7690 1.7690 4.7810 4.7810 12.3506 12.3506 13.4160 13.4160 14.6326 14.6326 k = 0.0000 0.0000 0.2835 ( 2913 PWs) bands (ev): -19.0238 -19.0238 -18.8357 -18.8357 -18.5502 -18.5502 -17.8381 -17.8381 -13.2557 -13.2557 -13.1533 -13.1533 -10.9005 -10.9005 -10.6378 -10.6378 -10.5511 -10.5511 -3.8641 -3.8641 -1.5414 -1.5414 -1.0098 -1.0098 0.0180 0.0180 0.3960 0.3960 0.4590 0.4590 0.7580 0.7580 1.0826 1.0826 1.2869 1.2869 1.3411 1.3411 1.4144 1.4144 1.7694 1.7694 4.8479 4.8479 12.2816 12.2816 13.3994 13.3994 14.6080 14.6080 k = 0.0000 0.0000 0.2993 ( 2911 PWs) bands (ev): -19.0114 -19.0114 -18.8280 -18.8280 -18.5482 -18.5482 -17.8410 -17.8410 -13.2681 -13.2681 -13.1574 -13.1574 -10.9020 -10.9020 -10.6665 -10.6665 -10.5616 -10.5616 -3.9514 -3.9514 -1.4717 -1.4717 -0.9852 -0.9852 0.1051 0.1051 0.3763 0.3763 0.4432 0.4432 0.7718 0.7718 1.0760 1.0760 1.3075 1.3075 1.3592 1.3592 1.3857 1.3857 1.7698 1.7698 4.9179 4.9179 12.2097 12.2097 13.3774 13.3774 14.5779 14.5779 k = 0.0000 0.0000 0.3150 ( 2909 PWs) bands (ev): -18.9985 -18.9985 -18.8200 -18.8200 -18.5461 -18.5461 -17.8438 -17.8438 -13.2810 -13.2810 -13.1617 -13.1617 -10.9036 -10.9036 -10.6956 -10.6956 -10.5725 -10.5725 -4.0367 -4.0367 -1.4012 -1.4012 -0.9583 -0.9583 0.1882 0.1882 0.3567 0.3567 0.4278 0.4278 0.7861 0.7861 1.0691 1.0691 1.3261 1.3261 1.3595 1.3595 1.3778 1.3778 1.7701 1.7701 4.9911 4.9911 12.1351 12.1351 13.3501 13.3501 14.5416 14.5416 k = 0.0000 0.0000 0.3308 ( 2909 PWs) bands (ev): -18.9852 -18.9852 -18.8117 -18.8117 -18.5440 -18.5440 -17.8468 -17.8468 -13.2945 -13.2945 -13.1662 -13.1662 -10.9052 -10.9052 -10.7249 -10.7249 -10.5838 -10.5838 -4.1199 -4.1199 -1.3305 -1.3305 -0.9288 -0.9288 0.2659 0.2659 0.3374 0.3374 0.4140 0.4140 0.8009 0.8009 1.0618 1.0618 1.3221 1.3221 1.3568 1.3568 1.3967 1.3967 1.7704 1.7704 5.0672 5.0672 12.0579 12.0579 13.3176 13.3176 14.4990 14.4990 k = 0.0000 0.0000 0.3465 ( 2909 PWs) bands (ev): -18.9716 -18.9716 -18.8032 -18.8032 -18.5419 -18.5419 -17.8498 -17.8498 -13.3084 -13.3084 -13.1708 -13.1708 -10.9069 -10.9069 -10.7542 -10.7542 -10.5954 -10.5954 -4.2010 -4.2010 -1.2607 -1.2607 -0.8958 -0.8958 0.3163 0.3163 0.3337 0.3337 0.4079 0.4079 0.8160 0.8160 1.0542 1.0542 1.2978 1.2978 1.3752 1.3752 1.4164 1.4164 1.7707 1.7707 5.1462 5.1462 11.9783 11.9783 13.2803 13.2803 14.4509 14.4509 k = 0.0000 0.0000 0.3623 ( 2907 PWs) bands (ev): -18.9576 -18.9576 -18.7946 -18.7946 -18.5398 -18.5398 -17.8529 -17.8529 -13.3227 -13.3227 -13.1755 -13.1755 -10.9086 -10.9086 -10.7834 -10.7834 -10.6072 -10.6072 -4.2799 -4.2799 -1.1932 -1.1932 -0.8585 -0.8585 0.2984 0.2984 0.3569 0.3569 0.4388 0.4388 0.8315 0.8315 1.0462 1.0462 1.2732 1.2732 1.3949 1.3949 1.4370 1.4370 1.7708 1.7708 5.2280 5.2280 11.8964 11.8964 13.2386 13.2386 14.3981 14.3981 k = 0.0000 0.0000 0.3780 ( 2911 PWs) bands (ev): -18.9434 -18.9434 -18.7857 -18.7857 -18.5378 -18.5378 -17.8560 -17.8560 -13.3374 -13.3374 -13.1804 -13.1804 -10.9103 -10.9103 -10.8124 -10.8124 -10.6193 -10.6193 -4.3566 -4.3566 -1.1293 -1.1293 -0.8156 -0.8156 0.2797 0.2797 0.3483 0.3483 0.4972 0.4972 0.8472 0.8472 1.0379 1.0379 1.2509 1.2509 1.4138 1.4138 1.4589 1.4589 1.7709 1.7709 5.3125 5.3125 11.8125 11.8125 13.1926 13.1926 14.3416 14.3416 k = 0.0000 0.0000 0.3938 ( 2913 PWs) bands (ev): -18.9289 -18.9289 -18.7767 -18.7767 -18.5357 -18.5357 -17.8591 -17.8591 -13.3525 -13.3525 -13.1854 -13.1854 -10.9121 -10.9121 -10.8412 -10.8412 -10.6316 -10.6316 -4.4309 -4.4309 -1.0704 -1.0704 -0.7661 -0.7661 0.2613 0.2613 0.3341 0.3341 0.5553 0.5553 0.8632 0.8632 1.0294 1.0294 1.2318 1.2318 1.4317 1.4317 1.4819 1.4819 1.7709 1.7709 5.3995 5.3995 11.7267 11.7267 13.1428 13.1428 14.2824 14.2824 k = 0.0000 0.0000 0.4095 ( 2917 PWs) bands (ev): -18.9142 -18.9142 -18.7676 -18.7676 -18.5337 -18.5337 -17.8622 -17.8622 -13.3679 -13.3679 -13.1906 -13.1906 -10.9139 -10.9139 -10.8695 -10.8695 -10.6440 -10.6440 -4.5028 -4.5028 -1.0175 -1.0175 -0.7093 -0.7093 0.2433 0.2433 0.3186 0.3186 0.6074 0.6074 0.8793 0.8793 1.0205 1.0205 1.2173 1.2173 1.4486 1.4486 1.5058 1.5058 1.7707 1.7707 5.4890 5.4890 11.6392 11.6392 13.0896 13.0896 14.2212 14.2212 k = 0.0000 0.0000 0.4253 ( 2917 PWs) bands (ev): -18.8993 -18.8993 -18.7584 -18.7584 -18.5317 -18.5317 -17.8653 -17.8653 -13.3835 -13.3835 -13.1958 -13.1958 -10.9159 -10.9159 -10.8972 -10.8972 -10.6565 -10.6565 -4.5723 -4.5723 -0.9706 -0.9706 -0.6456 -0.6456 0.2256 0.2256 0.3029 0.3029 0.6515 0.6515 0.8954 0.8954 1.0115 1.0115 1.2087 1.2087 1.4646 1.4646 1.5306 1.5306 1.7704 1.7704 5.5808 5.5808 11.5503 11.5503 13.0332 13.0332 14.1588 14.1588 k = 0.0000 0.0000 0.4410 ( 2913 PWs) bands (ev): -18.8844 -18.8844 -18.7491 -18.7491 -18.5298 -18.5298 -17.8684 -17.8684 -13.3993 -13.3993 -13.2011 -13.2011 -10.9256 -10.9256 -10.9166 -10.9166 -10.6691 -10.6691 -4.6394 -4.6394 -0.9290 -0.9290 -0.5760 -0.5760 0.2084 0.2084 0.2873 0.2873 0.6862 0.6862 0.9115 0.9115 1.0022 1.0022 1.2073 1.2073 1.4797 1.4797 1.5559 1.5559 1.7699 1.7699 5.6747 5.6747 11.4603 11.4603 12.9740 12.9740 14.0957 14.0957 k = 0.0000 0.0000 0.4568 ( 2909 PWs) bands (ev): -18.8693 -18.8693 -18.7398 -18.7398 -18.5280 -18.5280 -17.8715 -17.8715 -13.4153 -13.4153 -13.2064 -13.2064 -10.9517 -10.9517 -10.9189 -10.9189 -10.6817 -10.6817 -4.7039 -4.7039 -0.8916 -0.8916 -0.5019 -0.5019 0.1917 0.1917 0.2718 0.2718 0.7106 0.7106 0.9274 0.9274 0.9929 0.9929 1.2139 1.2139 1.4940 1.4940 1.5815 1.5815 1.7693 1.7693 5.7705 5.7705 11.3694 11.3694 12.9123 12.9123 14.0323 14.0323 k = 0.0000 0.0000 0.4725 ( 2909 PWs) bands (ev): -18.8542 -18.8542 -18.7305 -18.7305 -18.5263 -18.5263 -17.8746 -17.8746 -13.4313 -13.4313 -13.2118 -13.2118 -10.9775 -10.9775 -10.9208 -10.9208 -10.6943 -10.6943 -4.7660 -4.7660 -0.8574 -0.8574 -0.4248 -0.4248 0.1755 0.1755 0.2567 0.2567 0.7247 0.7247 0.9428 0.9428 0.9838 0.9838 1.2284 1.2284 1.5077 1.5077 1.6072 1.6072 1.7686 1.7686 5.8680 5.8680 11.2778 11.2778 12.8484 12.8484 13.9690 13.9690 k = 0.0000 0.0000 0.4883 ( 2913 PWs) bands (ev): -18.8392 -18.8392 -18.7213 -18.7213 -18.5247 -18.5247 -17.8776 -17.8776 -13.4473 -13.4473 -13.2172 -13.2172 -11.0026 -11.0026 -10.9226 -10.9226 -10.7068 -10.7068 -4.8254 -4.8254 -0.8256 -0.8256 -0.3459 -0.3459 0.1600 0.1600 0.2419 0.2419 0.7295 0.7295 0.9555 0.9555 0.9772 0.9772 1.2499 1.2499 1.5208 1.5208 1.6329 1.6329 1.7676 1.7676 5.9670 5.9670 11.1858 11.1858 12.7825 12.7825 13.9062 13.9062 k = 0.0000 0.0000 0.5040 ( 2913 PWs) bands (ev): -18.8242 -18.8242 -18.7121 -18.7121 -18.5233 -18.5233 -17.8806 -17.8806 -13.4633 -13.4633 -13.2226 -13.2226 -11.0269 -11.0269 -10.9244 -10.9244 -10.7192 -10.7192 -4.8823 -4.8823 -0.7956 -0.7956 -0.2663 -0.2663 0.1452 0.1452 0.2277 0.2277 0.7267 0.7267 0.9565 0.9565 0.9820 0.9820 1.2768 1.2768 1.5332 1.5332 1.6585 1.6585 1.7665 1.7665 6.0673 6.0673 11.0938 11.0938 12.7151 12.7151 13.8442 13.8442 k = 0.0000 0.0000 0.5198 ( 2915 PWs) bands (ev): -18.8094 -18.8094 -18.7030 -18.7030 -18.5219 -18.5219 -17.8835 -17.8835 -13.4792 -13.4792 -13.2280 -13.2280 -11.0503 -11.0503 -10.9261 -10.9261 -10.7313 -10.7313 -4.9366 -4.9366 -0.7670 -0.7670 -0.1869 -0.1869 0.1315 0.1315 0.2140 0.2140 0.7183 0.7183 0.9483 0.9483 0.9957 0.9957 1.3073 1.3073 1.5451 1.5451 1.6837 1.6837 1.7651 1.7651 6.1686 6.1686 11.0020 11.0020 12.6463 12.6463 13.7832 13.7832 k = 0.0000 0.0000 0.5355 ( 2915 PWs) bands (ev): -18.7948 -18.7948 -18.6940 -18.6940 -18.5208 -18.5208 -17.8863 -17.8863 -13.4949 -13.4949 -13.2333 -13.2333 -11.0727 -11.0727 -10.9279 -10.9279 -10.7433 -10.7433 -4.9883 -4.9883 -0.7396 -0.7396 -0.1090 -0.1090 0.1194 0.1194 0.2010 0.2010 0.7058 0.7058 0.9385 0.9385 1.0107 1.0107 1.3398 1.3398 1.5564 1.5564 1.7084 1.7084 1.7637 1.7637 6.2706 6.2706 10.9107 10.9107 12.5766 12.5766 13.7235 13.7235 k = 0.0000 0.0000 0.5513 ( 2915 PWs) bands (ev): -18.7803 -18.7803 -18.6852 -18.6852 -18.5198 -18.5198 -17.8890 -17.8890 -13.5103 -13.5103 -13.2386 -13.2386 -11.0941 -11.0941 -10.9296 -10.9296 -10.7549 -10.7549 -5.0373 -5.0373 -0.7133 -0.7133 -0.0354 -0.0354 0.1107 0.1107 0.1891 0.1891 0.6908 0.6908 0.9283 0.9283 1.0259 1.0259 1.3730 1.3730 1.5671 1.5671 1.7322 1.7322 1.7625 1.7625 6.3730 6.3730 10.8201 10.8201 12.5062 12.5062 13.6653 13.6653 k = 0.0000 0.0000 0.5670 ( 2915 PWs) bands (ev): -18.7662 -18.7662 -18.6766 -18.6766 -18.5190 -18.5190 -17.8917 -17.8917 -13.5254 -13.5254 -13.2437 -13.2437 -11.1145 -11.1145 -10.9312 -10.9312 -10.7663 -10.7663 -5.0837 -5.0837 -0.6879 -0.6879 0.0248 0.0248 0.1130 0.1130 0.1796 0.1796 0.6741 0.6741 0.9179 0.9179 1.0409 1.0409 1.4061 1.4061 1.5773 1.5773 1.7516 1.7516 1.7647 1.7647 6.4755 6.4755 10.7306 10.7306 12.4355 12.4355 13.6088 13.6088 k = 0.0000 0.0000 0.5828 ( 2911 PWs) bands (ev): -18.7523 -18.7523 -18.6682 -18.6682 -18.5184 -18.5184 -17.8942 -17.8942 -13.5401 -13.5401 -13.2488 -13.2488 -11.1338 -11.1338 -10.9329 -10.9329 -10.7772 -10.7772 -5.1275 -5.1275 -0.6634 -0.6634 0.0491 0.0491 0.1380 0.1380 0.1826 0.1826 0.6567 0.6567 0.9074 0.9074 1.0556 1.0556 1.4385 1.4385 1.5870 1.5870 1.7548 1.7548 1.7823 1.7823 6.5777 6.5777 10.6426 10.6426 12.3648 12.3648 13.5543 13.5543 k = 0.0000 0.0000 0.5985 ( 2917 PWs) bands (ev): -18.7389 -18.7389 -18.6600 -18.6600 -18.5180 -18.5180 -17.8967 -17.8967 -13.5544 -13.5544 -13.2537 -13.2537 -11.1520 -11.1520 -10.9345 -10.9345 -10.7877 -10.7877 -5.1686 -5.1686 -0.6398 -0.6398 0.0478 0.0478 0.1435 0.1435 0.2298 0.2298 0.6390 0.6390 0.8971 0.8971 1.0698 1.0698 1.4696 1.4696 1.5960 1.5960 1.7529 1.7529 1.8038 1.8038 6.6792 6.6792 10.5562 10.5562 12.2946 12.2946 13.5019 13.5019 k = 0.0000 0.0000 0.6143 ( 2911 PWs) bands (ev): -18.7258 -18.7258 -18.6521 -18.6521 -18.5179 -18.5179 -17.8990 -17.8990 -13.5681 -13.5681 -13.2584 -13.2584 -11.1692 -11.1692 -10.9360 -10.9360 -10.7978 -10.7978 -5.2070 -5.2070 -0.6173 -0.6173 0.0404 0.0404 0.1361 0.1361 0.2947 0.2947 0.6216 0.6216 0.8869 0.8869 1.0836 1.0836 1.4992 1.4992 1.6045 1.6045 1.7503 1.7503 1.8250 1.8250 6.7795 6.7795 10.4718 10.4718 12.2252 12.2252 13.4518 13.4518 k = 0.0000 0.0000 0.6300 ( 2915 PWs) bands (ev): -18.7133 -18.7133 -18.6445 -18.6445 -18.5180 -18.5180 -17.9012 -17.9012 -13.5813 -13.5813 -13.2630 -13.2630 -11.1852 -11.1852 -10.9375 -10.9375 -10.8073 -10.8073 -5.2428 -5.2428 -0.5957 -0.5957 0.0316 0.0316 0.1274 0.1274 0.3602 0.3602 0.6050 0.6050 0.8769 0.8769 1.0969 1.0969 1.5270 1.5270 1.6125 1.6125 1.7473 1.7473 1.8452 1.8452 6.8782 6.8782 10.3898 10.3898 12.1572 12.1572 13.4042 13.4042 k = 0.0000 0.0000 0.6458 ( 2918 PWs) bands (ev): -18.7013 -18.7013 -18.6372 -18.6372 -18.5183 -18.5183 -17.9032 -17.9032 -13.5937 -13.5937 -13.2674 -13.2674 -11.2000 -11.2000 -10.9390 -10.9390 -10.8163 -10.8163 -5.2759 -5.2759 -0.5753 -0.5753 0.0228 0.0228 0.1187 0.1187 0.4230 0.4230 0.5899 0.5899 0.8672 0.8672 1.1096 1.1096 1.5529 1.5529 1.6199 1.6199 1.7440 1.7440 1.8644 1.8644 6.9747 6.9747 10.3105 10.3105 12.0910 12.0910 13.3594 13.3594 k = 0.0000 0.0000 0.6615 ( 2926 PWs) bands (ev): -18.6899 -18.6899 -18.6303 -18.6303 -18.5189 -18.5189 -17.9052 -17.9052 -13.6054 -13.6054 -13.2715 -13.2715 -11.2137 -11.2137 -10.9404 -10.9404 -10.8246 -10.8246 -5.3064 -5.3064 -0.5560 -0.5560 0.0143 0.0143 0.1105 0.1105 0.4802 0.4802 0.5784 0.5784 0.8579 0.8579 1.1216 1.1216 1.5768 1.5768 1.6269 1.6269 1.7405 1.7405 1.8825 1.8825 7.0685 7.0685 10.2343 10.2343 12.0270 12.0270 13.3174 13.3174 k = 0.0000 0.0000 0.6773 ( 2926 PWs) bands (ev): -18.6791 -18.6791 -18.6237 -18.6237 -18.5198 -18.5198 -17.9069 -17.9069 -13.6164 -13.6164 -13.2753 -13.2753 -11.2263 -11.2263 -10.9417 -10.9417 -10.8323 -10.8323 -5.3341 -5.3341 -0.5379 -0.5379 0.0064 0.0064 0.1029 0.1029 0.5209 0.5209 0.5806 0.5806 0.8490 0.8490 1.1330 1.1330 1.5985 1.5985 1.6334 1.6334 1.7367 1.7367 1.8992 1.8992 7.1588 7.1588 10.1616 10.1616 11.9659 11.9659 13.2785 13.2785 k = 0.0000 0.0000 0.6930 ( 2930 PWs) bands (ev): -18.6691 -18.6691 -18.6174 -18.6174 -18.5209 -18.5209 -17.9086 -17.9086 -13.6265 -13.6265 -13.2788 -13.2788 -11.2376 -11.2376 -10.9430 -10.9430 -10.8394 -10.8394 -5.3593 -5.3593 -0.5212 -0.5212 -0.0010 -0.0010 0.0959 0.0959 0.5276 0.5276 0.6139 0.6139 0.8408 0.8408 1.1436 1.1436 1.6177 1.6177 1.6397 1.6397 1.7329 1.7329 1.9147 1.9147 7.2450 7.2450 10.0928 10.0928 11.9082 11.9082 13.2428 13.2428 k = 0.0000 0.0000 0.7088 ( 2922 PWs) bands (ev): -18.6599 -18.6599 -18.6114 -18.6114 -18.5223 -18.5223 -17.9100 -17.9100 -13.6356 -13.6356 -13.2821 -13.2821 -11.2478 -11.2478 -10.9442 -10.9442 -10.8457 -10.8457 -5.3817 -5.3817 -0.5060 -0.5060 -0.0076 -0.0076 0.0896 0.0896 0.5201 0.5201 0.6580 0.6580 0.8332 0.8332 1.1535 1.1535 1.6334 1.6334 1.6469 1.6469 1.7291 1.7291 1.9287 1.9287 7.3262 7.3262 10.0284 10.0284 11.8545 11.8545 13.2104 13.2104 k = 0.0000 0.0000 0.7245 ( 2918 PWs) bands (ev): -18.6516 -18.6516 -18.6059 -18.6059 -18.5238 -18.5238 -17.9113 -17.9113 -13.6438 -13.6438 -13.2850 -13.2850 -11.2567 -11.2567 -10.9453 -10.9453 -10.8514 -10.8514 -5.4016 -5.4016 -0.4922 -0.4922 -0.0135 -0.0135 0.0840 0.0840 0.5107 0.5107 0.7003 0.7003 0.8265 0.8265 1.1625 1.1625 1.6434 1.6434 1.6571 1.6571 1.7253 1.7253 1.9413 1.9413 7.4015 7.4015 9.9691 9.9691 11.8053 11.8053 13.1816 13.1816 k = 0.0000 0.0000 0.7403 ( 2914 PWs) bands (ev): -18.6443 -18.6443 -18.6006 -18.6006 -18.5256 -18.5256 -17.9125 -17.9125 -13.6510 -13.6510 -13.2875 -13.2875 -11.2645 -11.2645 -10.9463 -10.9463 -10.8563 -10.8563 -5.4187 -5.4187 -0.4801 -0.4801 -0.0187 -0.0187 0.0792 0.0792 0.5018 0.5018 0.7380 0.7380 0.8209 0.8209 1.1706 1.1706 1.6490 1.6490 1.6690 1.6690 1.7216 1.7216 1.9523 1.9523 7.4699 7.4699 9.9154 9.9154 11.7613 11.7613 13.1563 13.1563 k = 0.0000 0.0000 0.7560 ( 2914 PWs) bands (ev): -18.6380 -18.6380 -18.5958 -18.5958 -18.5275 -18.5275 -17.9134 -17.9134 -13.6572 -13.6572 -13.2897 -13.2897 -11.2711 -11.2711 -10.9471 -10.9471 -10.8604 -10.8604 -5.4332 -5.4332 -0.4697 -0.4697 -0.0231 -0.0231 0.0750 0.0750 0.4938 0.4938 0.7695 0.7695 0.8171 0.8171 1.1777 1.1777 1.6529 1.6529 1.6800 1.6800 1.7182 1.7182 1.9617 1.9617 7.5304 7.5304 9.8681 9.8681 11.7229 11.7229 13.1347 13.1347 k = 0.0000 0.0000 0.7718 ( 2920 PWs) bands (ev): -18.6328 -18.6328 -18.5915 -18.5915 -18.5294 -18.5294 -17.9142 -17.9142 -13.6623 -13.6623 -13.2915 -13.2915 -11.2765 -11.2765 -10.9479 -10.9479 -10.8638 -10.8638 -5.4451 -5.4451 -0.4611 -0.4611 -0.0267 -0.0267 0.0716 0.0716 0.4872 0.4872 0.7915 0.7915 0.8182 0.8182 1.1837 1.1837 1.6558 1.6558 1.6891 1.6891 1.7152 1.7152 1.9694 1.9694 7.5818 7.5818 9.8279 9.8279 11.6907 11.6907 13.1170 13.1170 k = 0.0000 0.0000 0.7875 ( 2924 PWs) bands (ev): -18.6288 -18.6288 -18.5878 -18.5878 -18.5312 -18.5312 -17.9149 -17.9149 -13.6663 -13.6663 -13.2930 -13.2930 -11.2807 -11.2807 -10.9485 -10.9485 -10.8665 -10.8665 -5.4544 -5.4544 -0.4543 -0.4543 -0.0296 -0.0296 0.0690 0.0690 0.4819 0.4819 0.7984 0.7984 0.8294 0.8294 1.1885 1.1885 1.6581 1.6581 1.6963 1.6963 1.7126 1.7126 1.9755 1.9755 7.6233 7.6233 9.7956 9.7956 11.6652 11.6652 13.1031 13.1031 k = 0.0000 0.0000 0.8033 ( 2924 PWs) bands (ev): -18.6259 -18.6259 -18.5850 -18.5850 -18.5327 -18.5327 -17.9153 -17.9153 -13.6691 -13.6691 -13.2940 -13.2940 -11.2837 -11.2837 -10.9489 -10.9489 -10.8684 -10.8684 -5.4610 -5.4610 -0.4494 -0.4494 -0.0316 -0.0316 0.0671 0.0671 0.4781 0.4781 0.7984 0.7984 0.8425 0.8425 1.1921 1.1921 1.6597 1.6597 1.7015 1.7015 1.7107 1.7107 1.9799 1.9799 7.6536 7.6536 9.7720 9.7720 11.6466 11.6466 13.0931 13.0931 k = 0.0000 0.0000 0.8190 ( 2932 PWs) bands (ev): -18.6242 -18.6242 -18.5831 -18.5831 -18.5338 -18.5338 -17.9156 -17.9156 -13.6709 -13.6709 -13.2946 -13.2946 -11.2855 -11.2855 -10.9492 -10.9492 -10.8696 -10.8696 -5.4649 -5.4649 -0.4464 -0.4464 -0.0328 -0.0328 0.0659 0.0659 0.4758 0.4758 0.7976 0.7976 0.8511 0.8511 1.1943 1.1943 1.6606 1.6606 1.7046 1.7046 1.7094 1.7094 1.9825 1.9825 7.6722 7.6722 9.7575 9.7575 11.6354 11.6354 13.0871 13.0871 k = 0.0000 0.0000 0.8348 ( 2936 PWs) bands (ev): -18.6236 -18.6236 -18.5825 -18.5825 -18.5342 -18.5342 -17.9157 -17.9157 -13.6715 -13.6715 -13.2948 -13.2948 -11.2861 -11.2861 -10.9493 -10.9493 -10.8699 -10.8699 -5.4663 -5.4663 -0.4455 -0.4455 -0.0332 -0.0332 0.0656 0.0656 0.4750 0.4750 0.7973 0.7973 0.8541 0.8541 1.1950 1.1950 1.6609 1.6609 1.7057 1.7057 1.7089 1.7089 1.9833 1.9833 7.6785 7.6785 9.7526 9.7526 11.6316 11.6316 13.0851 13.0851 k = 0.0000 0.0000 0.8348 ( 2936 PWs) bands (ev): -18.6236 -18.6236 -18.5825 -18.5825 -18.5342 -18.5342 -17.9157 -17.9157 -13.6715 -13.6715 -13.2948 -13.2948 -11.2861 -11.2861 -10.9493 -10.9493 -10.8699 -10.8699 -5.4663 -5.4663 -0.4455 -0.4455 -0.0332 -0.0332 0.0656 0.0656 0.4750 0.4750 0.7973 0.7973 0.8541 0.8541 1.1950 1.1950 1.6609 1.6609 1.7057 1.7057 1.7089 1.7089 1.9833 1.9833 7.6785 7.6785 9.7526 9.7526 11.6316 11.6316 13.0851 13.0851 k =-0.0093 0.0125 0.8348 ( 2932 PWs) bands (ev): -18.6239 -18.6239 -18.5829 -18.5829 -18.5341 -18.5341 -17.9158 -17.9158 -13.6709 -13.6709 -13.2946 -13.2946 -11.2855 -11.2855 -10.9492 -10.9492 -10.8696 -10.8696 -5.4650 -5.4650 -0.4455 -0.4455 -0.0331 -0.0331 0.0656 0.0656 0.4729 0.4729 0.7973 0.7973 0.8535 0.8535 1.1948 1.1948 1.6608 1.6608 1.6963 1.6963 1.7168 1.7168 1.9833 1.9833 7.6733 7.6733 9.7575 9.7575 11.6347 11.6347 13.0847 13.0847 k =-0.0186 0.0249 0.8348 ( 2932 PWs) bands (ev): -18.6249 -18.6249 -18.5841 -18.5841 -18.5338 -18.5338 -17.9161 -17.9161 -13.6692 -13.6692 -13.2940 -13.2940 -11.2837 -11.2837 -10.9489 -10.9489 -10.8685 -10.8685 -5.4613 -5.4613 -0.4455 -0.4455 -0.0326 -0.0326 0.0657 0.0657 0.4666 0.4666 0.7972 0.7972 0.8517 0.8517 1.1942 1.1942 1.6605 1.6605 1.6841 1.6841 1.7246 1.7246 1.9830 1.9830 7.6579 7.6579 9.7720 9.7720 11.6439 11.6439 13.0836 13.0836 k =-0.0280 0.0374 0.8348 ( 2920 PWs) bands (ev): -18.6266 -18.6266 -18.5861 -18.5861 -18.5333 -18.5333 -17.9167 -17.9167 -13.6664 -13.6664 -13.2930 -13.2930 -11.2808 -11.2808 -10.9485 -10.9485 -10.8666 -10.8666 -5.4550 -5.4550 -0.4456 -0.4456 -0.0318 -0.0318 0.0658 0.0658 0.4560 0.4560 0.7970 0.7970 0.8490 0.8490 1.1932 1.1932 1.6597 1.6597 1.6708 1.6708 1.7308 1.7308 1.9826 1.9826 7.6327 7.6327 9.7958 9.7958 11.6591 11.6591 13.0818 13.0818 k =-0.0373 0.0499 0.8348 ( 2924 PWs) bands (ev): -18.6290 -18.6290 -18.5889 -18.5889 -18.5327 -18.5327 -17.9174 -17.9174 -13.6625 -13.6625 -13.2917 -13.2917 -11.2767 -11.2767 -10.9478 -10.9478 -10.8641 -10.8641 -5.4464 -5.4464 -0.4457 -0.4457 -0.0309 -0.0309 0.0661 0.0661 0.4411 0.4411 0.7968 0.7968 0.8454 0.8454 1.1919 1.1919 1.6530 1.6530 1.6618 1.6618 1.7354 1.7354 1.9819 1.9819 7.5984 7.5984 9.8282 9.8282 11.6802 11.6802 13.0793 13.0793 k =-0.0466 0.0623 0.8348 ( 2936 PWs) bands (ev): -18.6320 -18.6320 -18.5925 -18.5925 -18.5319 -18.5319 -17.9184 -17.9184 -13.6575 -13.6575 -13.2899 -13.2899 -11.2714 -11.2714 -10.9471 -10.9471 -10.8608 -10.8608 -5.4352 -5.4352 -0.4459 -0.4459 -0.0299 -0.0299 0.0665 0.0665 0.4216 0.4216 0.7965 0.7965 0.8411 0.8411 1.1902 1.1902 1.6372 1.6372 1.6604 1.6604 1.7384 1.7384 1.9812 1.9812 7.5558 7.5558 9.8684 9.8684 11.7070 11.7070 13.0760 13.0760 k =-0.0559 0.0748 0.8348 ( 2936 PWs) bands (ev): -18.6357 -18.6357 -18.5968 -18.5968 -18.5310 -18.5310 -17.9196 -17.9196 -13.6515 -13.6515 -13.2878 -13.2878 -11.2650 -11.2650 -10.9462 -10.9462 -10.8568 -10.8568 -5.4215 -5.4215 -0.4462 -0.4462 -0.0289 -0.0289 0.0672 0.0672 0.3977 0.3977 0.7960 0.7960 0.8364 0.8364 1.1882 1.1882 1.6193 1.6193 1.6598 1.6598 1.7397 1.7397 1.9802 1.9802 7.5059 7.5059 9.9157 9.9157 11.7393 11.7393 13.0720 13.0720 k =-0.0653 0.0873 0.8348 ( 2932 PWs) bands (ev): -18.6400 -18.6400 -18.6018 -18.6018 -18.5299 -18.5299 -17.9210 -17.9210 -13.6444 -13.6444 -13.2853 -13.2853 -11.2573 -11.2573 -10.9451 -10.9451 -10.8521 -10.8521 -5.4053 -5.4053 -0.4466 -0.4466 -0.0282 -0.0282 0.0683 0.0683 0.3692 0.3692 0.7955 0.7955 0.8316 0.8316 1.1859 1.1859 1.6001 1.6001 1.6592 1.6592 1.7395 1.7395 1.9791 1.9791 7.4496 7.4496 9.9692 9.9692 11.7768 11.7768 13.0673 13.0673 k =-0.0746 0.0997 0.8348 ( 2930 PWs) bands (ev): -18.6450 -18.6450 -18.6074 -18.6074 -18.5286 -18.5286 -17.9226 -17.9226 -13.6364 -13.6364 -13.2825 -13.2825 -11.2486 -11.2486 -10.9439 -10.9439 -10.8466 -10.8466 -5.3866 -5.3866 -0.4471 -0.4471 -0.0280 -0.0280 0.0698 0.0698 0.3363 0.3363 0.7947 0.7947 0.8267 0.8267 1.1834 1.1834 1.5796 1.5796 1.6586 1.6586 1.7376 1.7376 1.9778 1.9778 7.3877 7.3877 10.0280 10.0280 11.8193 11.8193 13.0620 13.0620 k =-0.0839 0.1122 0.8348 ( 2930 PWs) bands (ev): -18.6507 -18.6507 -18.6136 -18.6136 -18.5272 -18.5272 -17.9243 -17.9243 -13.6274 -13.6274 -13.2794 -13.2794 -11.2386 -11.2386 -10.9426 -10.9426 -10.8405 -10.8405 -5.3655 -5.3655 -0.4478 -0.4478 -0.0286 -0.0286 0.0719 0.0719 0.2991 0.2991 0.7937 0.7937 0.8221 0.8221 1.1807 1.1807 1.5579 1.5579 1.6581 1.6581 1.7340 1.7340 1.9764 1.9764 7.3211 7.3211 10.0916 10.0916 11.8664 11.8664 13.0560 13.0560 k =-0.0932 0.1247 0.8348 ( 2930 PWs) bands (ev): -18.6571 -18.6571 -18.6203 -18.6203 -18.5257 -18.5257 -17.9263 -17.9263 -13.6175 -13.6175 -13.2759 -13.2759 -11.2275 -11.2275 -10.9412 -10.9412 -10.8338 -10.8338 -5.3418 -5.3418 -0.4489 -0.4489 -0.0303 -0.0303 0.0748 0.0748 0.2580 0.2580 0.7923 0.7923 0.8178 0.8178 1.1779 1.1779 1.5351 1.5351 1.6576 1.6576 1.7289 1.7289 1.9748 1.9748 7.2507 7.2507 10.1592 10.1592 11.9179 11.9179 13.0493 13.0493 k =-0.1026 0.1371 0.8348 ( 2934 PWs) bands (ev): -18.6641 -18.6641 -18.6276 -18.6276 -18.5240 -18.5240 -17.9284 -17.9284 -13.6068 -13.6068 -13.2722 -13.2722 -11.2153 -11.2153 -10.9397 -10.9397 -10.8264 -10.8264 -5.3157 -5.3157 -0.4503 -0.4503 -0.0335 -0.0335 0.0784 0.0784 0.2135 0.2135 0.7904 0.7904 0.8140 0.8140 1.1751 1.1751 1.5113 1.5113 1.6572 1.6572 1.7223 1.7223 1.9731 1.9731 7.1771 7.1771 10.2301 10.2301 11.9733 11.9733 13.0421 13.0421 k =-0.1119 0.1496 0.8348 ( 2932 PWs) bands (ev): -18.6718 -18.6718 -18.6352 -18.6352 -18.5223 -18.5223 -17.9308 -17.9308 -13.5953 -13.5953 -13.2682 -13.2682 -11.2019 -11.2019 -10.9382 -10.9382 -10.8184 -10.8184 -5.2871 -5.2871 -0.4523 -0.4523 -0.0388 -0.0388 0.0828 0.0828 0.1664 0.1664 0.7878 0.7878 0.8108 0.8108 1.1722 1.1722 1.4864 1.4864 1.6569 1.6569 1.7141 1.7141 1.9712 1.9712 7.1009 7.1009 10.3040 10.3040 12.0323 12.0323 13.0343 13.0343 k =-0.1212 0.1621 0.8348 ( 2932 PWs) bands (ev): -18.6801 -18.6801 -18.6432 -18.6432 -18.5204 -18.5204 -17.9332 -17.9332 -13.5831 -13.5831 -13.2640 -13.2640 -11.1873 -11.1873 -10.9365 -10.9365 -10.8098 -10.8098 -5.2559 -5.2559 -0.4551 -0.4551 -0.0472 -0.0472 0.0878 0.0878 0.1182 0.1182 0.7846 0.7846 0.8083 0.8083 1.1694 1.1694 1.4607 1.4607 1.6567 1.6567 1.7046 1.7046 1.9693 1.9693 7.0227 7.0227 10.3802 10.3802 12.0946 12.0946 13.0261 13.0261 k =-0.1305 0.1745 0.8348 ( 2924 PWs) bands (ev): -18.6891 -18.6891 -18.6515 -18.6515 -18.5183 -18.5183 -17.9358 -17.9358 -13.5702 -13.5702 -13.2595 -13.2595 -11.1717 -11.1717 -10.9348 -10.9348 -10.8007 -10.8007 -5.2224 -5.2224 -0.4589 -0.4589 -0.0605 -0.0605 0.0700 0.0700 0.0947 0.0947 0.7807 0.7807 0.8064 0.8064 1.1667 1.1667 1.4341 1.4341 1.6566 1.6566 1.6937 1.6937 1.9672 1.9672 6.9431 6.9431 10.4584 10.4584 12.1599 12.1599 13.0175 13.0175 k =-0.1399 0.1870 0.8348 ( 2924 PWs) bands (ev): -18.6987 -18.6987 -18.6601 -18.6601 -18.5162 -18.5162 -17.9386 -17.9386 -13.5567 -13.5567 -13.2549 -13.2549 -11.1549 -11.1549 -10.9330 -10.9330 -10.7911 -10.7911 -5.1863 -5.1863 -0.4644 -0.4644 -0.0823 -0.0823 0.0282 0.0282 0.1010 0.1010 0.7761 0.7761 0.8050 0.8050 1.1641 1.1641 1.4067 1.4067 1.6563 1.6563 1.6819 1.6819 1.9650 1.9650 6.8623 6.8623 10.5381 10.5381 12.2277 12.2277 13.0086 13.0086 k =-0.1399 0.1870 0.8348 ( 2924 PWs) bands (ev): -18.6987 -18.6987 -18.6601 -18.6601 -18.5162 -18.5162 -17.9386 -17.9386 -13.5567 -13.5567 -13.2549 -13.2549 -11.1549 -11.1549 -10.9330 -10.9330 -10.7911 -10.7911 -5.1863 -5.1863 -0.4644 -0.4644 -0.0823 -0.0823 0.0282 0.0282 0.1010 0.1010 0.7761 0.7761 0.8050 0.8050 1.1641 1.1641 1.4067 1.4067 1.6563 1.6563 1.6819 1.6819 1.9650 1.9650 6.8623 6.8623 10.5381 10.5381 12.2277 12.2277 13.0086 13.0086 k =-0.1465 0.1959 0.8236 ( 2924 PWs) bands (ev): -18.7071 -18.7071 -18.6655 -18.6655 -18.5146 -18.5146 -17.9406 -17.9406 -13.5467 -13.5467 -13.2513 -13.2513 -11.1423 -11.1423 -10.9317 -10.9317 -10.7835 -10.7835 -5.1582 -5.1582 -0.4703 -0.4703 -0.1064 -0.1064 0.0045 0.0045 0.1064 0.1064 0.7717 0.7717 0.8042 0.8042 1.1622 1.1622 1.3875 1.3875 1.6553 1.6553 1.6734 1.6734 1.9630 1.9630 6.8040 6.8040 10.5952 10.5952 12.2792 12.2792 13.0034 13.0034 k =-0.1532 0.2048 0.8125 ( 2922 PWs) bands (ev): -18.7178 -18.7178 -18.6694 -18.6694 -18.5128 -18.5128 -17.9426 -17.9426 -13.5366 -13.5366 -13.2473 -13.2473 -11.1295 -11.1295 -10.9303 -10.9303 -10.7748 -10.7748 -5.1274 -5.1274 -0.4791 -0.4791 -0.1396 -0.1396 -0.0125 -0.0125 0.1123 0.1123 0.7652 0.7652 0.8039 0.8039 1.1600 1.1600 1.3699 1.3699 1.6519 1.6519 1.6663 1.6663 1.9603 1.9603 6.7453 6.7453 10.6510 10.6510 12.3343 12.3343 13.0008 13.0008 k =-0.1599 0.2137 0.8014 ( 2918 PWs) bands (ev): -18.7303 -18.7303 -18.6723 -18.6723 -18.5110 -18.5110 -17.9446 -17.9446 -13.5264 -13.5264 -13.2429 -13.2429 -11.1165 -11.1165 -10.9288 -10.9288 -10.7649 -10.7649 -5.0937 -5.0937 -0.4919 -0.4919 -0.1796 -0.1796 -0.0241 -0.0241 0.1186 0.1186 0.7568 0.7568 0.8041 0.8041 1.1577 1.1577 1.3541 1.3541 1.6444 1.6444 1.6625 1.6625 1.9570 1.9570 6.6871 6.6871 10.7049 10.7049 12.3922 12.3922 13.0014 13.0014 k =-0.1665 0.2227 0.7902 ( 2922 PWs) bands (ev): -18.7441 -18.7441 -18.6745 -18.6745 -18.5090 -18.5090 -17.9465 -17.9465 -13.5163 -13.5163 -13.2381 -13.2381 -11.1038 -11.1038 -10.9273 -10.9273 -10.7537 -10.7537 -5.0572 -5.0572 -0.5103 -0.5103 -0.2229 -0.2229 -0.0325 -0.0325 0.1254 0.1254 0.7466 0.7466 0.8049 0.8049 1.1554 1.1554 1.3401 1.3401 1.6340 1.6340 1.6609 1.6609 1.9532 1.9532 6.6298 6.6298 10.7564 10.7564 12.4514 12.4514 13.0060 13.0060 k =-0.1732 0.2316 0.7791 ( 2924 PWs) bands (ev): -18.7587 -18.7587 -18.6763 -18.6763 -18.5071 -18.5071 -17.9484 -17.9484 -13.5064 -13.5064 -13.2330 -13.2330 -11.0913 -11.0913 -10.9258 -10.9258 -10.7412 -10.7412 -5.0178 -5.0178 -0.5367 -0.5367 -0.2656 -0.2656 -0.0391 -0.0391 0.1326 0.1326 0.7350 0.7350 0.8062 0.8062 1.1531 1.1531 1.3281 1.3281 1.6224 1.6224 1.6599 1.6599 1.9488 1.9488 6.5740 6.5740 10.8054 10.8054 12.5104 12.5104 13.0159 13.0159 k =-0.1799 0.2405 0.7680 ( 2927 PWs) bands (ev): -18.7739 -18.7739 -18.6778 -18.6778 -18.5051 -18.5051 -17.9502 -17.9502 -13.4968 -13.4968 -13.2274 -13.2274 -11.0794 -11.0794 -10.9243 -10.9243 -10.7273 -10.7273 -4.9755 -4.9755 -0.5739 -0.5739 -0.3043 -0.3043 -0.0445 -0.0445 0.1400 0.1400 0.7225 0.7225 0.8079 0.8079 1.1510 1.1510 1.3180 1.3180 1.6101 1.6101 1.6591 1.6591 1.9440 1.9440 6.5199 6.5199 10.8515 10.8515 12.5668 12.5668 13.0327 13.0327 k =-0.1865 0.2494 0.7568 ( 2923 PWs) bands (ev): -18.7894 -18.7894 -18.6792 -18.6792 -18.5031 -18.5031 -17.9520 -17.9520 -13.4877 -13.4877 -13.2215 -13.2215 -11.0682 -11.0682 -10.9227 -10.9227 -10.7122 -10.7122 -4.9302 -4.9302 -0.6239 -0.6239 -0.3364 -0.3364 -0.0493 -0.0493 0.1476 0.1476 0.7093 0.7093 0.8100 0.8100 1.1492 1.1492 1.3096 1.3096 1.5974 1.5974 1.6583 1.6583 1.9388 1.9388 6.4678 6.4678 10.8949 10.8949 12.6180 12.6180 13.0584 13.0584 k =-0.1932 0.2583 0.7457 ( 2921 PWs) bands (ev): -18.8051 -18.8051 -18.6805 -18.6805 -18.5011 -18.5011 -17.9537 -17.9537 -13.4790 -13.4790 -13.2153 -13.2153 -11.0577 -11.0577 -10.9211 -10.9211 -10.6958 -10.6958 -4.8821 -4.8821 -0.6865 -0.6865 -0.3615 -0.3615 -0.0537 -0.0537 0.1554 0.1554 0.6959 0.6959 0.8124 0.8124 1.1476 1.1476 1.3028 1.3028 1.5844 1.5844 1.6575 1.6575 1.9332 1.9332 6.4181 6.4181 10.9354 10.9354 12.6618 12.6618 13.0946 13.0946 k =-0.1999 0.2672 0.7346 ( 2926 PWs) bands (ev): -18.8208 -18.8208 -18.6817 -18.6817 -18.4992 -18.4992 -17.9553 -17.9553 -13.4709 -13.4709 -13.2089 -13.2089 -11.0480 -11.0480 -10.9196 -10.9196 -10.6784 -10.6784 -4.8311 -4.8311 -0.7600 -0.7600 -0.3809 -0.3809 -0.0578 -0.0578 0.1633 0.1633 0.6827 0.6827 0.8150 0.8150 1.1464 1.1464 1.2975 1.2975 1.5712 1.5712 1.6565 1.6565 1.9274 1.9274 6.3708 6.3708 10.9731 10.9731 12.6967 12.6967 13.1419 13.1419 k =-0.2066 0.2762 0.7234 ( 2926 PWs) bands (ev): -18.8363 -18.8363 -18.6828 -18.6828 -18.4973 -18.4973 -17.9569 -17.9569 -13.4633 -13.4633 -13.2023 -13.2023 -11.0391 -11.0391 -10.9181 -10.9181 -10.6600 -10.6600 -4.7772 -4.7772 -0.8424 -0.8424 -0.3960 -0.3960 -0.0617 -0.0617 0.1711 0.1711 0.6698 0.6698 0.8178 0.8178 1.1455 1.1455 1.2934 1.2934 1.5579 1.5579 1.6556 1.6556 1.9215 1.9215 6.3261 6.3261 11.0082 11.0082 12.7230 12.7230 13.1996 13.1996 k =-0.2132 0.2851 0.7123 ( 2922 PWs) bands (ev): -18.8515 -18.8515 -18.6839 -18.6839 -18.4954 -18.4954 -17.9584 -17.9584 -13.4563 -13.4563 -13.1955 -13.1955 -11.0312 -11.0312 -10.9166 -10.9166 -10.6409 -10.6409 -4.7206 -4.7206 -0.9316 -0.9316 -0.4084 -0.4084 -0.0655 -0.0655 0.1790 0.1790 0.6576 0.6576 0.8207 0.8207 1.1449 1.1449 1.2905 1.2905 1.5445 1.5445 1.6545 1.6545 1.9154 1.9154 6.2840 6.2840 11.0406 11.0406 12.7421 12.7421 13.2655 13.2655 k =-0.2199 0.2940 0.7012 ( 2922 PWs) bands (ev): -18.8664 -18.8664 -18.6849 -18.6849 -18.4937 -18.4937 -17.9599 -17.9599 -13.4499 -13.4499 -13.1887 -13.1887 -11.0240 -11.0240 -10.9151 -10.9151 -10.6213 -10.6213 -4.6614 -4.6614 -1.0261 -1.0261 -0.4188 -0.4188 -0.0691 -0.0691 0.1868 0.1868 0.6461 0.6461 0.8237 0.8237 1.1445 1.1445 1.2886 1.2886 1.5311 1.5311 1.6535 1.6535 1.9092 1.9092 6.2447 6.2447 11.0705 11.0705 12.7555 12.7555 13.3375 13.3375 k =-0.2266 0.3029 0.6900 ( 2920 PWs) bands (ev): -18.8807 -18.8807 -18.6858 -18.6858 -18.4920 -18.4920 -17.9612 -17.9612 -13.4441 -13.4441 -13.1819 -13.1819 -11.0176 -11.0176 -10.9137 -10.9137 -10.6015 -10.6015 -4.5996 -4.5996 -1.1246 -1.1246 -0.4278 -0.4278 -0.0726 -0.0726 0.1944 0.1944 0.6355 0.6355 0.8267 0.8267 1.1443 1.1443 1.2877 1.2877 1.5178 1.5178 1.6524 1.6524 1.9031 1.9031 6.2080 6.2080 11.0980 11.0980 12.7649 12.7649 13.4132 13.4132 k =-0.2332 0.3118 0.6789 ( 2915 PWs) bands (ev): -18.8945 -18.8945 -18.6867 -18.6867 -18.4904 -18.4904 -17.9625 -17.9625 -13.4388 -13.4388 -13.1752 -13.1752 -11.0119 -11.0119 -10.9124 -10.9124 -10.5818 -10.5818 -4.5356 -4.5356 -1.2261 -1.2261 -0.4358 -0.4358 -0.0760 -0.0760 0.2017 0.2017 0.6257 0.6257 0.8298 0.8298 1.1442 1.1442 1.2876 1.2876 1.5046 1.5046 1.6512 1.6512 1.8971 1.8971 6.1742 6.1742 11.1233 11.1233 12.7715 12.7715 13.4907 13.4907 k =-0.2399 0.3207 0.6678 ( 2917 PWs) bands (ev): -18.9076 -18.9076 -18.6876 -18.6876 -18.4889 -18.4889 -17.9637 -17.9637 -13.4341 -13.4341 -13.1687 -13.1687 -11.0070 -11.0070 -10.9111 -10.9111 -10.5623 -10.5623 -4.4695 -4.4695 -1.3295 -1.3295 -0.4429 -0.4429 -0.0793 -0.0793 0.2088 0.2088 0.6169 0.6169 0.8327 0.8327 1.1443 1.1443 1.2883 1.2883 1.4916 1.4916 1.6501 1.6501 1.8912 1.8912 6.1430 6.1430 11.1463 11.1463 12.7760 12.7760 13.5687 13.5687 k =-0.2466 0.3297 0.6566 ( 2915 PWs) bands (ev): -18.9200 -18.9200 -18.6884 -18.6884 -18.4874 -18.4874 -17.9648 -17.9648 -13.4298 -13.4298 -13.1625 -13.1625 -11.0026 -11.0026 -10.9099 -10.9099 -10.5433 -10.5433 -4.4018 -4.4018 -1.4337 -1.4337 -0.4494 -0.4494 -0.0824 -0.0824 0.2156 0.2156 0.6091 0.6091 0.8356 0.8356 1.1445 1.1445 1.2898 1.2898 1.4787 1.4787 1.6490 1.6490 1.8855 1.8855 6.1145 6.1145 11.1672 11.1672 12.7792 12.7792 13.6458 13.6458 k =-0.2532 0.3386 0.6455 ( 2915 PWs) bands (ev): -18.9315 -18.9315 -18.6892 -18.6892 -18.4861 -18.4861 -17.9659 -17.9659 -13.4261 -13.4261 -13.1566 -13.1566 -10.9988 -10.9988 -10.9087 -10.9087 -10.5252 -10.5252 -4.3330 -4.3330 -1.5377 -1.5377 -0.4553 -0.4553 -0.0853 -0.0853 0.2220 0.2220 0.6021 0.6021 0.8384 0.8384 1.1447 1.1447 1.2920 1.2920 1.4662 1.4662 1.6479 1.6479 1.8801 1.8801 6.0887 6.0887 11.1861 11.1861 12.7814 12.7814 13.7209 13.7209 k =-0.2599 0.3475 0.6344 ( 2908 PWs) bands (ev): -18.9421 -18.9421 -18.6898 -18.6898 -18.4849 -18.4849 -17.9668 -17.9668 -13.4228 -13.4228 -13.1510 -13.1510 -10.9954 -10.9954 -10.9077 -10.9077 -10.5080 -10.5080 -4.2636 -4.2636 -1.6404 -1.6404 -0.4606 -0.4606 -0.0881 -0.0881 0.2280 0.2280 0.5959 0.5959 0.8410 0.8410 1.1450 1.1450 1.2949 1.2949 1.4539 1.4539 1.6469 1.6469 1.8751 1.8751 6.0655 6.0655 11.2030 11.2030 12.7828 12.7828 13.7930 13.7930 k =-0.2666 0.3564 0.6232 ( 2909 PWs) bands (ev): -18.9518 -18.9518 -18.6905 -18.6905 -18.4839 -18.4839 -17.9676 -17.9676 -13.4199 -13.4199 -13.1459 -13.1459 -10.9926 -10.9926 -10.9067 -10.9067 -10.4921 -10.4921 -4.1944 -4.1944 -1.7406 -1.7406 -0.4654 -0.4654 -0.0907 -0.0907 0.2335 0.2335 0.5906 0.5906 0.8434 0.8434 1.1452 1.1452 1.2983 1.2983 1.4420 1.4420 1.6458 1.6458 1.8704 1.8704 6.0449 6.0449 11.2180 11.2180 12.7838 12.7838 13.8611 13.8611 k =-0.2732 0.3653 0.6121 ( 2909 PWs) bands (ev): -18.9605 -18.9605 -18.6910 -18.6910 -18.4829 -18.4829 -17.9684 -17.9684 -13.4175 -13.4175 -13.1413 -13.1413 -10.9901 -10.9901 -10.9059 -10.9059 -10.4776 -10.4776 -4.1265 -4.1265 -1.8368 -1.8368 -0.4696 -0.4696 -0.0930 -0.0930 0.2384 0.2384 0.5861 0.5861 0.8456 0.8456 1.1455 1.1455 1.3023 1.3023 1.4305 1.4305 1.6449 1.6449 1.8661 1.8661 6.0268 6.0268 11.2311 11.2311 12.7844 12.7844 13.9244 13.9244 k =-0.2799 0.3742 0.6010 ( 2903 PWs) bands (ev): -18.9681 -18.9681 -18.6915 -18.6915 -18.4820 -18.4820 -17.9690 -17.9690 -13.4154 -13.4154 -13.1372 -13.1372 -10.9881 -10.9881 -10.9051 -10.9051 -10.4646 -10.4646 -4.0611 -4.0611 -1.9273 -1.9273 -0.4733 -0.4733 -0.0950 -0.0950 0.2428 0.2428 0.5823 0.5823 0.8476 0.8476 1.1457 1.1457 1.3068 1.3068 1.4195 1.4195 1.6441 1.6441 1.8623 1.8623 6.0112 6.0112 11.2424 11.2424 12.7848 12.7848 13.9817 13.9817 k =-0.2866 0.3832 0.5898 ( 2901 PWs) bands (ev): -18.9746 -18.9746 -18.6919 -18.6919 -18.4813 -18.4813 -17.9696 -17.9696 -13.4137 -13.4137 -13.1337 -13.1337 -10.9864 -10.9864 -10.9045 -10.9045 -10.4534 -10.4534 -4.0000 -4.0000 -2.0103 -2.0103 -0.4764 -0.4764 -0.0968 -0.0968 0.2465 0.2465 0.5791 0.5791 0.8493 0.8493 1.1459 1.1459 1.3117 1.3117 1.4091 1.4091 1.6433 1.6433 1.8591 1.8591 5.9981 5.9981 11.2519 11.2519 12.7851 12.7851 14.0323 14.0323 k =-0.2933 0.3921 0.5787 ( 2902 PWs) bands (ev): -18.9800 -18.9800 -18.6922 -18.6922 -18.4807 -18.4807 -17.9700 -17.9700 -13.4123 -13.4123 -13.1308 -13.1308 -10.9851 -10.9851 -10.9039 -10.9039 -10.4441 -10.4441 -3.9449 -3.9449 -2.0836 -2.0836 -0.4790 -0.4790 -0.0983 -0.0983 0.2497 0.2497 0.5766 0.5766 0.8507 0.8507 1.1461 1.1461 1.3168 1.3168 1.3994 1.3994 1.6427 1.6427 1.8564 1.8564 5.9875 5.9875 11.2596 11.2596 12.7852 12.7852 14.0753 14.0753 k =-0.2999 0.4010 0.5676 ( 2900 PWs) bands (ev): -18.9842 -18.9842 -18.6925 -18.6925 -18.4803 -18.4803 -17.9704 -17.9704 -13.4112 -13.4112 -13.1285 -13.1285 -10.9840 -10.9840 -10.9035 -10.9035 -10.4367 -10.4367 -3.8983 -3.8983 -2.1445 -2.1445 -0.4810 -0.4810 -0.0995 -0.0995 0.2521 0.2521 0.5747 0.5747 0.8518 0.8518 1.1462 1.1462 1.3220 1.3220 1.3907 1.3907 1.6422 1.6422 1.8542 1.8542 5.9792 5.9792 11.2656 11.2656 12.7852 12.7852 14.1097 14.1097 k =-0.3066 0.4099 0.5564 ( 2904 PWs) bands (ev): -18.9872 -18.9872 -18.6927 -18.6927 -18.4799 -18.4799 -17.9707 -17.9707 -13.4105 -13.4105 -13.1268 -13.1268 -10.9833 -10.9833 -10.9032 -10.9032 -10.4314 -10.4314 -3.8626 -3.8626 -2.1906 -2.1906 -0.4824 -0.4824 -0.1003 -0.1003 0.2539 0.2539 0.5733 0.5733 0.8527 0.8527 1.1463 1.1463 1.3268 1.3268 1.3834 1.3834 1.6418 1.6418 1.8527 1.8527 5.9733 5.9733 11.2698 11.2698 12.7852 12.7852 14.1349 14.1349 k =-0.3133 0.4188 0.5453 ( 2903 PWs) bands (ev): -18.9890 -18.9890 -18.6928 -18.6928 -18.4797 -18.4797 -17.9708 -17.9708 -13.4100 -13.4100 -13.1258 -13.1258 -10.9829 -10.9829 -10.9030 -10.9030 -10.4282 -10.4282 -3.8401 -3.8401 -2.2195 -2.2195 -0.4833 -0.4833 -0.1008 -0.1008 0.2550 0.2550 0.5725 0.5725 0.8531 0.8531 1.1464 1.1464 1.3304 1.3304 1.3782 1.3782 1.6416 1.6416 1.8517 1.8517 5.9698 5.9698 11.2724 11.2724 12.7853 12.7853 14.1502 14.1502 k =-0.3199 0.4277 0.5341 ( 2897 PWs) bands (ev): -18.9896 -18.9896 -18.6928 -18.6928 -18.4797 -18.4797 -17.9709 -17.9709 -13.4098 -13.4098 -13.1255 -13.1255 -10.9827 -10.9827 -10.9030 -10.9030 -10.4271 -10.4271 -3.8323 -3.8323 -2.2293 -2.2293 -0.4836 -0.4836 -0.1010 -0.1010 0.2553 0.2553 0.5723 0.5723 0.8533 0.8533 1.1464 1.1464 1.3318 1.3318 1.3763 1.3763 1.6415 1.6415 1.8514 1.8514 5.9686 5.9686 11.2732 11.2732 12.7853 12.7853 14.1554 14.1554 k =-0.3199 0.4277 0.5341 ( 2897 PWs) bands (ev): -18.9896 -18.9896 -18.6928 -18.6928 -18.4797 -18.4797 -17.9709 -17.9709 -13.4098 -13.4098 -13.1255 -13.1255 -10.9827 -10.9827 -10.9030 -10.9030 -10.4271 -10.4271 -3.8323 -3.8323 -2.2293 -2.2293 -0.4836 -0.4836 -0.1010 -0.1010 0.2553 0.2553 0.5723 0.5723 0.8533 0.8533 1.1464 1.1464 1.3318 1.3318 1.3763 1.3763 1.6415 1.6415 1.8514 1.8514 5.9686 5.9686 11.2732 11.2732 12.7853 12.7853 14.1554 14.1554 k =-0.3133 0.4188 0.5230 ( 2901 PWs) bands (ev): -18.9892 -18.9892 -18.6831 -18.6831 -18.4809 -18.4809 -17.9664 -17.9664 -13.4228 -13.4228 -13.1258 -13.1258 -11.0035 -11.0035 -10.9042 -10.9042 -10.4273 -10.4273 -3.8515 -3.8515 -2.2226 -2.2226 -0.4942 -0.4942 -0.0705 -0.0705 0.2550 0.2550 0.5768 0.5768 0.8598 0.8598 1.1474 1.1474 1.3634 1.3634 1.3862 1.3862 1.6262 1.6262 1.8461 1.8461 6.0248 6.0248 11.1983 11.1983 12.8047 12.8047 14.1410 14.1410 k =-0.3066 0.4099 0.5119 ( 2905 PWs) bands (ev): -18.9890 -18.9890 -18.6744 -18.6744 -18.4819 -18.4819 -17.9618 -17.9618 -13.4349 -13.4349 -13.1260 -13.1260 -11.0224 -11.0224 -10.9053 -10.9053 -10.4275 -10.4275 -3.8683 -3.8683 -2.2162 -2.2162 -0.5063 -0.5063 -0.0410 -0.0410 0.2549 0.2549 0.5814 0.5814 0.8666 0.8666 1.1482 1.1482 1.3876 1.3876 1.4008 1.4008 1.6106 1.6106 1.8402 1.8402 6.0777 6.0777 11.1264 11.1264 12.8276 12.8276 14.1289 14.1289 k =-0.2999 0.4010 0.5008 ( 2905 PWs) bands (ev): -18.9890 -18.9890 -18.6670 -18.6670 -18.4826 -18.4826 -17.9571 -17.9571 -13.4461 -13.4461 -13.1263 -13.1263 -11.0394 -11.0394 -10.9063 -10.9063 -10.4277 -10.4277 -3.8829 -3.8829 -2.2102 -2.2102 -0.5195 -0.5195 -0.0127 -0.0127 0.2552 0.2552 0.5858 0.5858 0.8738 0.8738 1.1492 1.1492 1.4002 1.4002 1.4234 1.4234 1.5949 1.5949 1.8337 1.8337 6.1262 6.1262 11.0591 11.0591 12.8534 12.8534 14.1190 14.1190 k =-0.2933 0.3921 0.4896 ( 2901 PWs) bands (ev): -18.9891 -18.9891 -18.6608 -18.6608 -18.4830 -18.4830 -17.9525 -17.9525 -13.4561 -13.4561 -13.1265 -13.1265 -11.0545 -11.0545 -10.9073 -10.9073 -10.4278 -10.4278 -3.8952 -3.8952 -2.2044 -2.2044 -0.5339 -0.5339 0.0146 0.0146 0.2559 0.2559 0.5902 0.5902 0.8812 0.8812 1.1505 1.1505 1.4102 1.4102 1.4449 1.4449 1.5791 1.5791 1.8267 1.8267 6.1693 6.1693 10.9977 10.9977 12.8818 12.8818 14.1117 14.1117 k =-0.2866 0.3832 0.4785 ( 2905 PWs) bands (ev): -18.9893 -18.9893 -18.6559 -18.6559 -18.4833 -18.4833 -17.9477 -17.9477 -13.4650 -13.4650 -13.1267 -13.1267 -11.0675 -11.0675 -10.9081 -10.9081 -10.4279 -10.4279 -3.9054 -3.9054 -2.1991 -2.1991 -0.5492 -0.5492 0.0408 0.0408 0.2571 0.2571 0.5945 0.5945 0.8888 0.8888 1.1523 1.1523 1.4199 1.4199 1.4627 1.4627 1.5633 1.5633 1.8190 1.8190 6.2059 6.2059 10.9434 10.9434 12.9122 12.9122 14.1071 14.1071 k =-0.2799 0.3743 0.4674 ( 2905 PWs) bands (ev): -18.9897 -18.9897 -18.6524 -18.6524 -18.4834 -18.4834 -17.9430 -17.9430 -13.4726 -13.4726 -13.1269 -13.1269 -11.0784 -11.0784 -10.9089 -10.9089 -10.4280 -10.4280 -3.9135 -3.9135 -2.1941 -2.1941 -0.5654 -0.5654 0.0661 0.0661 0.2586 0.2586 0.5987 0.5987 0.8967 0.8967 1.1546 1.1546 1.4296 1.4296 1.4760 1.4760 1.5476 1.5476 1.8107 1.8107 6.2350 6.2350 10.8975 10.8975 12.9445 12.9445 14.1053 14.1053 k =-0.2733 0.3654 0.4563 ( 2905 PWs) bands (ev): -18.9903 -18.9903 -18.6502 -18.6502 -18.4835 -18.4835 -17.9382 -17.9382 -13.4787 -13.4787 -13.1270 -13.1270 -11.0872 -11.0872 -10.9095 -10.9095 -10.4280 -10.4280 -3.9194 -3.9194 -2.1896 -2.1896 -0.5823 -0.5823 0.0906 0.0906 0.2607 0.2607 0.6028 0.6028 0.9048 0.9048 1.1574 1.1574 1.4393 1.4393 1.4843 1.4843 1.5324 1.5324 1.8017 1.8017 6.2555 6.2555 10.8610 10.8610 12.9782 12.9782 14.1065 14.1065 k =-0.2666 0.3564 0.4451 ( 2909 PWs) bands (ev): -18.9910 -18.9910 -18.6493 -18.6493 -18.4836 -18.4836 -17.9334 -17.9334 -13.4833 -13.4833 -13.1271 -13.1271 -11.0938 -11.0938 -10.9101 -10.9101 -10.4280 -10.4280 -3.9232 -3.9232 -2.1855 -2.1855 -0.6000 -0.6000 0.1141 0.1141 0.2633 0.2633 0.6067 0.6067 0.9131 0.9131 1.1608 1.1608 1.4491 1.4491 1.4866 1.4866 1.5187 1.5187 1.7920 1.7920 6.2668 6.2668 10.8347 10.8347 13.0132 13.0132 14.1107 14.1107 k =-0.2599 0.3475 0.4340 ( 2911 PWs) bands (ev): -18.9919 -18.9919 -18.6496 -18.6496 -18.4838 -18.4838 -17.9286 -17.9286 -13.4865 -13.4865 -13.1272 -13.1272 -11.0982 -11.0982 -10.9105 -10.9105 -10.4279 -10.4279 -3.9250 -3.9250 -2.1819 -2.1819 -0.6184 -0.6184 0.1368 0.1368 0.2665 0.2665 0.6104 0.6104 0.9215 0.9215 1.1648 1.1648 1.4590 1.4590 1.4816 1.4816 1.5079 1.5079 1.7816 1.7816 6.2682 6.2682 10.8192 10.8192 13.0491 13.0491 14.1183 14.1183 k =-0.2533 0.3386 0.4229 ( 2907 PWs) bands (ev): -18.9929 -18.9929 -18.6510 -18.6510 -18.4843 -18.4843 -17.9238 -17.9238 -13.4880 -13.4880 -13.1273 -13.1273 -11.1003 -11.1003 -10.9108 -10.9108 -10.4279 -10.4279 -3.9247 -3.9247 -2.1787 -2.1787 -0.6373 -0.6373 0.1587 0.1587 0.2703 0.2703 0.6140 0.6140 0.9300 0.9300 1.1693 1.1693 1.4686 1.4686 1.4702 1.4702 1.4993 1.4993 1.7705 1.7705 6.2594 6.2594 10.8149 10.8149 13.0857 13.0857 14.1292 14.1292 k =-0.2466 0.3297 0.4117 ( 2911 PWs) bands (ev): -18.9941 -18.9941 -18.6534 -18.6534 -18.4851 -18.4851 -17.9190 -17.9190 -13.4880 -13.4880 -13.1274 -13.1274 -11.1003 -11.1003 -10.9111 -10.9111 -10.4278 -10.4278 -3.9223 -3.9223 -2.1760 -2.1760 -0.6567 -0.6567 0.1796 0.1796 0.2747 0.2747 0.6173 0.6173 0.9387 0.9387 1.1743 1.1743 1.4555 1.4555 1.4771 1.4771 1.4908 1.4908 1.7585 1.7585 6.2403 6.2403 10.8219 10.8219 13.1227 13.1227 14.1437 14.1437 k =-0.2399 0.3208 0.4006 ( 2909 PWs) bands (ev): -18.9955 -18.9955 -18.6568 -18.6568 -18.4862 -18.4862 -17.9142 -17.9142 -13.4863 -13.4863 -13.1274 -13.1274 -11.0980 -11.0980 -10.9112 -10.9112 -10.4276 -10.4276 -3.9179 -3.9179 -2.1738 -2.1738 -0.6766 -0.6766 0.1996 0.1996 0.2800 0.2800 0.6204 0.6204 0.9473 0.9473 1.1795 1.1795 1.4395 1.4395 1.4730 1.4730 1.4920 1.4920 1.7459 1.7459 6.2110 6.2110 10.8401 10.8401 13.1600 13.1600 14.1617 14.1617 k =-0.2333 0.3119 0.3895 ( 2909 PWs) bands (ev): -18.9970 -18.9970 -18.6611 -18.6611 -18.4877 -18.4877 -17.9094 -17.9094 -13.4832 -13.4832 -13.1274 -13.1274 -11.0935 -11.0935 -10.9112 -10.9112 -10.4275 -10.4275 -3.9113 -3.9113 -2.1721 -2.1721 -0.6969 -0.6969 0.2184 0.2184 0.2862 0.2862 0.6234 0.6234 0.9560 0.9560 1.1846 1.1846 1.4229 1.4229 1.4576 1.4576 1.5012 1.5012 1.7324 1.7324 6.1721 6.1721 10.8690 10.8690 13.1973 13.1973 14.1834 14.1834 k =-0.2266 0.3030 0.3784 ( 2911 PWs) bands (ev): -18.9987 -18.9987 -18.6663 -18.6663 -18.4897 -18.4897 -17.9047 -17.9047 -13.4784 -13.4784 -13.1274 -13.1274 -11.0868 -11.0868 -10.9111 -10.9111 -10.4273 -10.4273 -3.9027 -3.9027 -2.1709 -2.1709 -0.7175 -0.7175 0.2360 0.2360 0.2935 0.2935 0.6260 0.6260 0.9648 0.9648 1.1892 1.1892 1.4057 1.4057 1.4386 1.4386 1.5114 1.5114 1.7182 1.7182 6.1240 6.1240 10.9081 10.9081 13.2343 13.2343 14.2087 14.2087 k =-0.2200 0.2941 0.3672 ( 2915 PWs) bands (ev): -19.0006 -19.0006 -18.6723 -18.6723 -18.4921 -18.4921 -17.9000 -17.9000 -13.4722 -13.4722 -13.1273 -13.1273 -11.0779 -11.0779 -10.9109 -10.9109 -10.4271 -10.4271 -3.8920 -3.8920 -2.1701 -2.1701 -0.7383 -0.7383 0.2522 0.2522 0.3021 0.3021 0.6284 0.6284 0.9734 0.9734 1.1921 1.1921 1.3878 1.3878 1.4177 1.4177 1.5217 1.5217 1.7033 1.7033 6.0677 6.0677 10.9565 10.9565 13.2709 13.2709 14.2378 14.2378 k =-0.2133 0.2852 0.3561 ( 2911 PWs) bands (ev): -19.0027 -19.0027 -18.6790 -18.6790 -18.4949 -18.4949 -17.8954 -17.8954 -13.4646 -13.4646 -13.1272 -13.1272 -11.0669 -11.0669 -10.9106 -10.9106 -10.4268 -10.4268 -3.8792 -3.8792 -2.1699 -2.1699 -0.7594 -0.7594 0.2669 0.2669 0.3119 0.3119 0.6306 0.6306 0.9821 0.9821 1.1916 1.1916 1.3694 1.3694 1.3968 1.3968 1.5322 1.5322 1.6876 1.6876 6.0040 6.0040 11.0133 11.0133 13.3068 13.3068 14.2704 14.2704 k =-0.2066 0.2762 0.3450 ( 2917 PWs) bands (ev): -19.0050 -19.0050 -18.6865 -18.6865 -18.4980 -18.4980 -17.8908 -17.8908 -13.4558 -13.4558 -13.1272 -13.1272 -11.0537 -11.0537 -10.9102 -10.9102 -10.4266 -10.4266 -3.8642 -3.8642 -2.1700 -2.1700 -0.7806 -0.7806 0.2800 0.2800 0.3230 0.3230 0.6325 0.6325 0.9906 0.9906 1.1848 1.1848 1.3518 1.3518 1.3775 1.3775 1.5427 1.5427 1.6712 1.6712 5.9341 5.9341 11.0775 11.0775 13.3418 13.3418 14.3066 14.3066 k =-0.2000 0.2673 0.3338 ( 2925 PWs) bands (ev): -19.0075 -19.0075 -18.6946 -18.6946 -18.5014 -18.5014 -17.8863 -17.8863 -13.4457 -13.4457 -13.1270 -13.1270 -11.0386 -11.0386 -10.9097 -10.9097 -10.4263 -10.4263 -3.8470 -3.8470 -2.1707 -2.1707 -0.8019 -0.8019 0.2920 0.2920 0.3350 0.3350 0.6342 0.6342 0.9991 0.9991 1.1678 1.1678 1.3374 1.3374 1.3613 1.3613 1.5533 1.5533 1.6540 1.6540 5.8589 5.8589 11.1482 11.1482 13.3757 13.3757 14.3462 14.3462 k =-0.1933 0.2584 0.3227 ( 2921 PWs) bands (ev): -19.0102 -19.0102 -18.7033 -18.7033 -18.5051 -18.5051 -17.8819 -17.8819 -13.4345 -13.4345 -13.1269 -13.1269 -11.0214 -11.0214 -10.9090 -10.9090 -10.4259 -10.4259 -3.8276 -3.8276 -2.1717 -2.1717 -0.8232 -0.8232 0.3032 0.3032 0.3472 0.3472 0.6356 0.6356 1.0074 1.0074 1.1383 1.1383 1.3267 1.3267 1.3501 1.3501 1.5639 1.5639 1.6362 1.6362 5.7795 5.7795 11.2243 11.2243 13.4082 13.4082 14.3891 14.3891 k =-0.1866 0.2495 0.3116 ( 2917 PWs) bands (ev): -19.0131 -19.0131 -18.7127 -18.7127 -18.5089 -18.5089 -17.8776 -17.8776 -13.4224 -13.4224 -13.1267 -13.1267 -11.0024 -11.0024 -10.9083 -10.9083 -10.4255 -10.4255 -3.8059 -3.8059 -2.1731 -2.1731 -0.8444 -0.8444 0.3141 0.3141 0.3593 0.3593 0.6368 0.6368 1.0157 1.0157 1.0971 1.0971 1.3154 1.3154 1.3477 1.3477 1.5745 1.5745 1.6178 1.6178 5.6969 5.6969 11.3047 11.3047 13.4392 13.4392 14.4348 14.4348 k =-0.1800 0.2406 0.3005 ( 2919 PWs) bands (ev): -19.0163 -19.0163 -18.7225 -18.7225 -18.5128 -18.5128 -17.8733 -17.8733 -13.4095 -13.4095 -13.1265 -13.1265 -10.9816 -10.9816 -10.9075 -10.9075 -10.4251 -10.4251 -3.7819 -3.7819 -2.1749 -2.1749 -0.8656 -0.8656 0.3250 0.3250 0.3706 0.3706 0.6378 0.6378 1.0236 1.0236 1.0466 1.0466 1.3021 1.3021 1.3532 1.3532 1.5850 1.5850 1.5987 1.5987 5.6121 5.6121 11.3887 11.3887 13.4683 13.4683 14.4832 14.4832 k =-0.1733 0.2317 0.2893 ( 2923 PWs) bands (ev): -19.0197 -19.0197 -18.7328 -18.7328 -18.5168 -18.5168 -17.8691 -17.8691 -13.3959 -13.3959 -13.1263 -13.1263 -10.9592 -10.9592 -10.9065 -10.9065 -10.4247 -10.4247 -3.7555 -3.7555 -2.1771 -2.1771 -0.8866 -0.8866 0.3360 0.3360 0.3805 0.3805 0.6385 0.6385 0.9885 0.9885 1.0317 1.0317 1.2881 1.2881 1.3636 1.3636 1.5789 1.5789 1.5956 1.5956 5.5260 5.5260 11.4752 11.4752 13.4953 13.4953 14.5337 14.5337 k =-0.1666 0.2228 0.2782 ( 2923 PWs) bands (ev): -19.0234 -19.0234 -18.7434 -18.7434 -18.5208 -18.5208 -17.8651 -17.8651 -13.3817 -13.3817 -13.1261 -13.1261 -10.9354 -10.9354 -10.9052 -10.9052 -10.4242 -10.4242 -3.7266 -3.7266 -2.1795 -2.1795 -0.9074 -0.9074 0.3472 0.3472 0.3885 0.3885 0.6390 0.6390 0.9254 0.9254 1.0394 1.0394 1.2740 1.2740 1.3770 1.3770 1.5587 1.5587 1.6060 1.6060 5.4394 5.4394 11.5634 11.5634 13.5198 13.5198 14.5857 14.5857 k =-0.1600 0.2139 0.2671 ( 2919 PWs) bands (ev): -19.0273 -19.0273 -18.7544 -18.7544 -18.5247 -18.5247 -17.8611 -17.8611 -13.3672 -13.3672 -13.1259 -13.1259 -10.9126 -10.9126 -10.9014 -10.9014 -10.4237 -10.4237 -3.6953 -3.6953 -2.1823 -2.1823 -0.9279 -0.9279 0.3588 0.3588 0.3934 0.3934 0.6392 0.6392 0.8586 0.8586 1.0469 1.0469 1.2602 1.2602 1.3925 1.3925 1.5380 1.5380 1.6164 1.6164 5.3530 5.3530 11.6527 11.6527 13.5414 13.5414 14.6384 14.6384 k =-0.1533 0.2050 0.2559 ( 2915 PWs) bands (ev): -19.0315 -19.0315 -18.7655 -18.7655 -18.5286 -18.5286 -17.8572 -17.8572 -13.3523 -13.3523 -13.1256 -13.1256 -10.9054 -10.9054 -10.8806 -10.8806 -10.4231 -10.4231 -3.6614 -3.6614 -2.1852 -2.1852 -0.9481 -0.9481 0.3706 0.3706 0.3936 0.3936 0.6393 0.6393 0.7905 0.7905 1.0542 1.0542 1.2468 1.2468 1.4094 1.4094 1.5169 1.5169 1.6266 1.6266 5.2676 5.2676 11.7423 11.7423 13.5598 13.5598 14.6900 14.6900 k =-0.1466 0.1960 0.2448 ( 2923 PWs) bands (ev): -19.0360 -19.0360 -18.7766 -18.7766 -18.5323 -18.5323 -17.8535 -17.8535 -13.3374 -13.3374 -13.1254 -13.1254 -10.9037 -10.9037 -10.8532 -10.8532 -10.4224 -10.4224 -3.6249 -3.6249 -2.1884 -2.1884 -0.9680 -0.9680 0.3794 0.3794 0.3890 0.3890 0.6392 0.6392 0.7250 0.7250 1.0612 1.0612 1.2336 1.2336 1.4273 1.4273 1.4954 1.4954 1.6366 1.6366 5.1836 5.1836 11.8315 11.8315 13.5746 13.5746 14.7367 14.7367 k =-0.1400 0.1871 0.2337 ( 2923 PWs) bands (ev): -19.0409 -19.0409 -18.7878 -18.7878 -18.5359 -18.5359 -17.8499 -17.8499 -13.3224 -13.3224 -13.1251 -13.1251 -10.9024 -10.9024 -10.8245 -10.8245 -10.4217 -10.4217 -3.5858 -3.5858 -2.1917 -2.1917 -0.9874 -0.9874 0.3614 0.3614 0.3979 0.3979 0.6386 0.6386 0.6680 0.6680 1.0680 1.0680 1.2209 1.2209 1.4451 1.4451 1.4745 1.4745 1.6465 1.6465 5.1016 5.1016 11.9198 11.9198 13.5853 13.5853 14.7698 14.7698 k =-0.1333 0.1782 0.2226 ( 2911 PWs) bands (ev): -19.0459 -19.0459 -18.7988 -18.7988 -18.5393 -18.5393 -17.8464 -17.8464 -13.3075 -13.3075 -13.1248 -13.1248 -10.9012 -10.9012 -10.7948 -10.7948 -10.4209 -10.4209 -3.5439 -3.5439 -2.1951 -2.1951 -1.0063 -1.0063 0.3202 0.3202 0.4110 0.4110 0.6235 0.6235 0.6398 0.6398 1.0746 1.0746 1.2086 1.2086 1.4474 1.4474 1.4695 1.4695 1.6563 1.6563 5.0219 5.0219 12.0068 12.0068 13.5915 13.5915 14.7778 14.7778 k =-0.1266 0.1693 0.2114 ( 2911 PWs) bands (ev): -19.0513 -19.0513 -18.8095 -18.8095 -18.5426 -18.5426 -17.8431 -17.8431 -13.2928 -13.2928 -13.1244 -13.1244 -10.9000 -10.9000 -10.7647 -10.7647 -10.4200 -10.4200 -3.4992 -3.4992 -2.1985 -2.1985 -1.0248 -1.0248 0.2571 0.2571 0.4248 0.4248 0.5980 0.5980 0.6387 0.6387 1.0809 1.0809 1.1967 1.1967 1.4266 1.4266 1.4877 1.4877 1.6658 1.6658 4.9450 4.9450 12.0919 12.0919 13.5931 13.5931 14.7661 14.7661 k =-0.1200 0.1604 0.2003 ( 2915 PWs) bands (ev): -19.0570 -19.0570 -18.8200 -18.8200 -18.5457 -18.5457 -17.8399 -17.8399 -13.2784 -13.2784 -13.1241 -13.1241 -10.8988 -10.8988 -10.7343 -10.7343 -10.4189 -10.4189 -3.4517 -3.4517 -2.2019 -2.2019 -1.0426 -1.0426 0.1766 0.1766 0.4391 0.4391 0.5850 0.5850 0.6381 0.6381 1.0869 1.0869 1.1853 1.1853 1.4041 1.4041 1.5077 1.5077 1.6750 1.6750 4.8712 4.8712 12.1748 12.1748 13.5899 13.5899 14.7494 14.7494 k =-0.1133 0.1515 0.1892 ( 2909 PWs) bands (ev): -19.0629 -19.0629 -18.8299 -18.8299 -18.5485 -18.5485 -17.8368 -17.8368 -13.2644 -13.2644 -13.1238 -13.1238 -10.8976 -10.8976 -10.7038 -10.7038 -10.4177 -10.4177 -3.4014 -3.4014 -2.2053 -2.2053 -1.0599 -1.0599 0.0839 0.0839 0.4538 0.4538 0.5800 0.5800 0.6375 0.6375 1.0926 1.0926 1.1743 1.1743 1.3812 1.3812 1.5280 1.5280 1.6840 1.6840 4.8006 4.8006 12.2550 12.2550 13.5820 13.5820 14.7349 14.7349 k =-0.1066 0.1426 0.1780 ( 2921 PWs) bands (ev): -19.0691 -19.0691 -18.8394 -18.8394 -18.5513 -18.5513 -17.8339 -17.8339 -13.2510 -13.2510 -13.1235 -13.1235 -10.8965 -10.8965 -10.6737 -10.6737 -10.4163 -10.4163 -3.3482 -3.3482 -2.2085 -2.2085 -1.0766 -1.0766 -0.0169 -0.0169 0.4689 0.4689 0.5795 0.5795 0.6369 0.6369 1.0980 1.0980 1.1639 1.1639 1.3583 1.3583 1.5483 1.5483 1.6927 1.6927 4.7334 4.7334 12.3324 12.3324 13.5697 13.5697 14.7251 14.7251 k =-0.1000 0.1337 0.1669 ( 2917 PWs) bands (ev): -19.0754 -19.0754 -18.8483 -18.8483 -18.5538 -18.5538 -17.8311 -17.8311 -13.2381 -13.2381 -13.1231 -13.1231 -10.8954 -10.8954 -10.6441 -10.6441 -10.4146 -10.4146 -3.2921 -3.2921 -2.2115 -2.2115 -1.0927 -1.0927 -0.1231 -0.1231 0.4842 0.4842 0.5815 0.5815 0.6363 0.6363 1.1032 1.1032 1.1539 1.1539 1.3353 1.3353 1.5684 1.5684 1.7012 1.7012 4.6699 4.6699 12.4066 12.4066 13.5534 13.5534 14.7205 14.7205 k =-0.0933 0.1248 0.1558 ( 2927 PWs) bands (ev): -19.0819 -19.0819 -18.8567 -18.8567 -18.5561 -18.5561 -17.8285 -17.8285 -13.2259 -13.2259 -13.1227 -13.1227 -10.8943 -10.8943 -10.6154 -10.6154 -10.4125 -10.4125 -3.2332 -3.2332 -2.2141 -2.2141 -1.1081 -1.1081 -0.2334 -0.2334 0.4998 0.4998 0.5848 0.5848 0.6357 0.6357 1.1080 1.1080 1.1444 1.1444 1.3125 1.3125 1.5882 1.5882 1.7093 1.7093 4.6100 4.6100 12.4775 12.4775 13.5339 13.5339 14.7208 14.7208 k =-0.0866 0.1158 0.1447 ( 2919 PWs) bands (ev): -19.0883 -19.0883 -18.8644 -18.8644 -18.5583 -18.5583 -17.8261 -17.8261 -13.2143 -13.2143 -13.1223 -13.1223 -10.8932 -10.8932 -10.5880 -10.5880 -10.4099 -10.4099 -3.1715 -3.1715 -2.2163 -2.2163 -1.1230 -1.1230 -0.3464 -0.3464 0.5155 0.5155 0.5889 0.5889 0.6352 0.6352 1.1124 1.1124 1.1354 1.1354 1.2900 1.2900 1.6074 1.6074 1.7171 1.7171 4.5540 4.5540 12.5448 12.5448 13.5117 13.5117 14.7253 14.7253 k =-0.0800 0.1069 0.1335 ( 2919 PWs) bands (ev): -19.0948 -19.0948 -18.8714 -18.8714 -18.5602 -18.5602 -17.8238 -17.8238 -13.2034 -13.2034 -13.1219 -13.1219 -10.8922 -10.8922 -10.5624 -10.5624 -10.4067 -10.4067 -3.1071 -3.1071 -2.2180 -2.2180 -1.1374 -1.1374 -0.4612 -0.4612 0.5313 0.5313 0.5931 0.5931 0.6349 0.6349 1.1164 1.1164 1.1270 1.1270 1.2678 1.2678 1.6258 1.6258 1.7246 1.7246 4.5019 4.5019 12.6085 12.6085 13.4875 13.4875 14.7335 14.7335 k =-0.0733 0.0980 0.1224 ( 2919 PWs) bands (ev): -19.1012 -19.1012 -18.8778 -18.8778 -18.5620 -18.5620 -17.8217 -17.8217 -13.1934 -13.1934 -13.1215 -13.1215 -10.8912 -10.8912 -10.5389 -10.5389 -10.4024 -10.4024 -3.0403 -3.0403 -2.2188 -2.2188 -1.1514 -1.1514 -0.5768 -0.5768 0.5469 0.5469 0.5973 0.5973 0.6347 0.6347 1.1172 1.1172 1.1219 1.1219 1.2463 1.2463 1.6433 1.6433 1.7318 1.7318 4.4537 4.4537 12.6684 12.6684 13.4619 13.4619 14.7443 14.7443 k =-0.0667 0.0891 0.1113 ( 2917 PWs) bands (ev): -19.1073 -19.1073 -18.8835 -18.8835 -18.5636 -18.5636 -17.8198 -17.8198 -13.1842 -13.1842 -13.1210 -13.1210 -10.8903 -10.8903 -10.5182 -10.5182 -10.3970 -10.3970 -2.9713 -2.9713 -2.2187 -2.2187 -1.1654 -1.1654 -0.6921 -0.6921 0.5622 0.5622 0.6014 0.6014 0.6350 0.6350 1.1103 1.1103 1.1245 1.1245 1.2255 1.2255 1.6597 1.6597 1.7387 1.7387 4.4096 4.4096 12.7246 12.7246 13.4356 13.4356 14.7572 14.7572 k =-0.0600 0.0802 0.1002 ( 2921 PWs) bands (ev): -19.1132 -19.1132 -18.8886 -18.8886 -18.5651 -18.5651 -17.8180 -17.8180 -13.1760 -13.1760 -13.1205 -13.1205 -10.8894 -10.8894 -10.5006 -10.5006 -10.3902 -10.3902 -2.9006 -2.9006 -2.2171 -2.2171 -1.1803 -1.1803 -0.8057 -0.8057 0.5768 0.5768 0.6052 0.6052 0.6357 0.6357 1.1030 1.1030 1.1276 1.1276 1.2058 1.2058 1.6748 1.6748 1.7453 1.7453 4.3694 4.3694 12.7769 12.7769 13.4090 13.4090 14.7711 14.7711 k =-0.0533 0.0713 0.0890 ( 2923 PWs) bands (ev): -19.1188 -19.1188 -18.8931 -18.8931 -18.5664 -18.5664 -17.8164 -17.8164 -13.1686 -13.1686 -13.1199 -13.1199 -10.8887 -10.8887 -10.4864 -10.4864 -10.3820 -10.3820 -2.8290 -2.8290 -2.2135 -2.2135 -1.1977 -1.1977 -0.9151 -0.9151 0.5901 0.5901 0.6087 0.6087 0.6373 0.6373 1.0958 1.0958 1.1303 1.1303 1.1875 1.1875 1.6883 1.6883 1.7517 1.7517 4.3334 4.3334 12.8253 12.8253 13.3825 13.3825 14.7856 14.7856 k =-0.0467 0.0624 0.0779 ( 2929 PWs) bands (ev): -19.1238 -19.1238 -18.8970 -18.8970 -18.5675 -18.5675 -17.8150 -17.8150 -13.1622 -13.1622 -13.1193 -13.1193 -10.8880 -10.8880 -10.4755 -10.4755 -10.3726 -10.3726 -2.7575 -2.7575 -2.2072 -2.2072 -1.2227 -1.2227 -1.0146 -1.0146 0.6011 0.6011 0.6122 0.6122 0.6403 0.6403 1.0887 1.0887 1.1326 1.1326 1.1708 1.1708 1.7002 1.7002 1.7579 1.7579 4.3015 4.3015 12.8700 12.8700 13.3565 13.3565 14.7999 14.7999 k =-0.0400 0.0535 0.0668 ( 2923 PWs) bands (ev): -19.1284 -19.1284 -18.9003 -18.9003 -18.5685 -18.5685 -17.8138 -17.8138 -13.1567 -13.1567 -13.1187 -13.1187 -10.8874 -10.8874 -10.4675 -10.4675 -10.3626 -10.3626 -2.6878 -2.6878 -2.1969 -2.1969 -1.2663 -1.2663 -1.0923 -1.0923 0.6081 0.6081 0.6165 0.6165 0.6452 0.6452 1.0817 1.0817 1.1344 1.1344 1.1565 1.1565 1.7104 1.7104 1.7637 1.7637 4.2737 4.2737 12.9108 12.9108 13.3313 13.3313 14.8134 14.8134 k =-0.0333 0.0446 0.0556 ( 2927 PWs) bands (ev): -19.1324 -19.1324 -18.9031 -18.9031 -18.5693 -18.5693 -17.8128 -17.8128 -13.1521 -13.1521 -13.1180 -13.1180 -10.8868 -10.8868 -10.4617 -10.4617 -10.3529 -10.3529 -2.6224 -2.6224 -2.1808 -2.1808 -1.3379 -1.3379 -1.1377 -1.1377 0.6114 0.6114 0.6211 0.6211 0.6521 0.6521 1.0748 1.0748 1.1345 1.1345 1.1457 1.1457 1.7187 1.7187 1.7691 1.7691 4.2502 4.2502 12.9477 12.9477 13.3073 13.3073 14.8258 14.8258 k =-0.0267 0.0356 0.0445 ( 2931 PWs) bands (ev): -19.1357 -19.1357 -18.9053 -18.9053 -18.5700 -18.5700 -17.8119 -17.8119 -13.1486 -13.1486 -13.1173 -13.1173 -10.8864 -10.8864 -10.4576 -10.4576 -10.3441 -10.3441 -2.5644 -2.5644 -2.1571 -2.1571 -1.4265 -1.4265 -1.1604 -1.1604 0.6130 0.6130 0.6245 0.6245 0.6599 0.6599 1.0682 1.0682 1.1302 1.1302 1.1415 1.1415 1.7253 1.7253 1.7740 1.7740 4.2309 4.2309 12.9804 12.9804 13.2848 13.2848 14.8364 14.8364 k =-0.0200 0.0267 0.0334 ( 2927 PWs) bands (ev): -19.1384 -19.1384 -18.9070 -18.9070 -18.5705 -18.5705 -17.8113 -17.8113 -13.1458 -13.1458 -13.1167 -13.1167 -10.8860 -10.8860 -10.4548 -10.4548 -10.3368 -10.3368 -2.5175 -2.5175 -2.1242 -2.1242 -1.5172 -1.5172 -1.1726 -1.1726 0.6139 0.6139 0.6268 0.6268 0.6672 0.6672 1.0621 1.0621 1.1239 1.1239 1.1415 1.1415 1.7302 1.7302 1.7781 1.7781 4.2158 4.2158 13.0084 13.0084 13.2646 13.2646 14.8451 14.8451 k =-0.0133 0.0178 0.0223 ( 2931 PWs) bands (ev): -19.1403 -19.1403 -18.9083 -18.9083 -18.5708 -18.5708 -17.8108 -17.8108 -13.1440 -13.1440 -13.1162 -13.1162 -10.8858 -10.8858 -10.4530 -10.4530 -10.3313 -10.3313 -2.4840 -2.4840 -2.0845 -2.0845 -1.6002 -1.6002 -1.1795 -1.1795 0.6145 0.6145 0.6283 0.6283 0.6731 0.6731 1.0572 1.0572 1.1191 1.1191 1.1420 1.1420 1.7336 1.7336 1.7812 1.7812 4.2050 4.2050 13.0308 13.0308 13.2477 13.2477 14.8515 14.8515 k =-0.0067 0.0089 0.0111 ( 2925 PWs) bands (ev): -19.1414 -19.1414 -18.9090 -18.9090 -18.5711 -18.5711 -17.8105 -17.8105 -13.1429 -13.1429 -13.1158 -13.1158 -10.8856 -10.8856 -10.4520 -10.4520 -10.3279 -10.3279 -2.4644 -2.4644 -2.0471 -2.0471 -1.6635 -1.6635 -1.1832 -1.1832 0.6147 0.6147 0.6291 0.6291 0.6769 0.6769 1.0541 1.0541 1.1163 1.1163 1.1424 1.1424 1.7356 1.7356 1.7831 1.7831 4.1985 4.1985 13.0457 13.0457 13.2361 13.2361 14.8554 14.8554 k = 0.0000 0.0000 0.0000 ( 2921 PWs) bands (ev): -19.1418 -19.1418 -18.9092 -18.9092 -18.5711 -18.5711 -17.8104 -17.8104 -13.1425 -13.1425 -13.1157 -13.1157 -10.8856 -10.8856 -10.4516 -10.4516 -10.3267 -10.3267 -2.4580 -2.4580 -2.0304 -2.0304 -1.6888 -1.6888 -1.1843 -1.1843 0.6148 0.6148 0.6294 0.6294 0.6782 0.6782 1.0529 1.0529 1.1154 1.1154 1.1425 1.1425 1.7363 1.7363 1.7838 1.7838 4.1964 4.1964 13.0510 13.0510 13.2319 13.2319 14.8567 14.8567 k = 0.0000 0.0000 0.0000 ( 2921 PWs) bands (ev): -19.1418 -19.1418 -18.9092 -18.9092 -18.5711 -18.5711 -17.8104 -17.8104 -13.1425 -13.1425 -13.1157 -13.1157 -10.8856 -10.8856 -10.4516 -10.4516 -10.3267 -10.3267 -2.4580 -2.4580 -2.0304 -2.0304 -1.6888 -1.6888 -1.1843 -1.1843 0.6148 0.6148 0.6294 0.6294 0.6782 0.6782 1.0529 1.0529 1.1154 1.1154 1.1425 1.1425 1.7363 1.7363 1.7838 1.7838 4.1964 4.1964 13.0510 13.0510 13.2319 13.2319 14.8567 14.8567 k = 0.0125 0.0093 0.0000 ( 2929 PWs) bands (ev): -19.1417 -19.1417 -18.9092 -18.9092 -18.5711 -18.5711 -17.8106 -17.8106 -13.1425 -13.1425 -13.1157 -13.1157 -10.8856 -10.8856 -10.4517 -10.4517 -10.3267 -10.3267 -2.4582 -2.4582 -2.0306 -2.0306 -1.6902 -1.6902 -1.1823 -1.1823 0.6146 0.6146 0.6292 0.6292 0.6783 0.6783 1.0532 1.0532 1.1155 1.1155 1.1407 1.1407 1.7366 1.7366 1.7841 1.7841 4.1983 4.1983 13.0415 13.0415 13.2387 13.2387 14.8572 14.8572 k = 0.0250 0.0187 0.0000 ( 2933 PWs) bands (ev): -19.1412 -19.1412 -18.9093 -18.9093 -18.5710 -18.5710 -17.8113 -17.8113 -13.1425 -13.1425 -13.1157 -13.1157 -10.8855 -10.8855 -10.4517 -10.4517 -10.3267 -10.3267 -2.4588 -2.4588 -2.0313 -2.0313 -1.6946 -1.6946 -1.1761 -1.1761 0.6137 0.6137 0.6287 0.6287 0.6787 0.6787 1.0539 1.0539 1.1158 1.1158 1.1355 1.1355 1.7374 1.7374 1.7850 1.7850 4.2042 4.2042 13.0164 13.0164 13.2561 13.2561 14.8588 14.8588 k = 0.0375 0.0280 0.0000 ( 2937 PWs) bands (ev): -19.1403 -19.1403 -18.9093 -18.9093 -18.5708 -18.5708 -17.8124 -17.8124 -13.1425 -13.1425 -13.1157 -13.1157 -10.8855 -10.8855 -10.4518 -10.4518 -10.3267 -10.3267 -2.4597 -2.4597 -2.0323 -2.0323 -1.7017 -1.7017 -1.1660 -1.1660 0.6124 0.6124 0.6279 0.6279 0.6795 0.6795 1.0551 1.0551 1.1164 1.1164 1.1268 1.1268 1.7387 1.7387 1.7865 1.7865 4.2139 4.2139 12.9812 12.9812 13.2786 13.2786 14.8614 14.8614 k = 0.0500 0.0374 0.0000 ( 2929 PWs) bands (ev): -19.1392 -19.1392 -18.9094 -18.9094 -18.5705 -18.5705 -17.8140 -17.8140 -13.1425 -13.1425 -13.1157 -13.1157 -10.8853 -10.8853 -10.4519 -10.4519 -10.3267 -10.3267 -2.4609 -2.4609 -2.0338 -2.0338 -1.7111 -1.7111 -1.1523 -1.1523 0.6106 0.6106 0.6268 0.6268 0.6806 0.6806 1.0567 1.0567 1.1149 1.1149 1.1171 1.1171 1.7406 1.7406 1.7887 1.7887 4.2272 4.2272 12.9397 12.9397 13.3028 13.3028 14.8650 14.8650 k = 0.0625 0.0467 0.0000 ( 2929 PWs) bands (ev): -19.1377 -19.1377 -18.9094 -18.9094 -18.5702 -18.5702 -17.8160 -17.8160 -13.1424 -13.1424 -13.1156 -13.1156 -10.8852 -10.8852 -10.4520 -10.4520 -10.3266 -10.3266 -2.4625 -2.4625 -2.0356 -2.0356 -1.7224 -1.7224 -1.1355 -1.1355 0.6082 0.6082 0.6253 0.6253 0.6819 0.6819 1.0588 1.0588 1.0998 1.0998 1.1182 1.1182 1.7429 1.7429 1.7913 1.7913 4.2441 4.2441 12.8939 12.8939 13.3271 13.3271 14.8697 14.8697 k = 0.0750 0.0561 0.0000 ( 2933 PWs) bands (ev): -19.1360 -19.1360 -18.9095 -18.9095 -18.5697 -18.5697 -17.8185 -17.8185 -13.1424 -13.1424 -13.1156 -13.1156 -10.8850 -10.8850 -10.4522 -10.4522 -10.3266 -10.3266 -2.4644 -2.4644 -2.0378 -2.0378 -1.7354 -1.7354 -1.1159 -1.1159 0.6054 0.6054 0.6235 0.6235 0.6837 0.6837 1.0613 1.0613 1.0818 1.0818 1.1195 1.1195 1.7457 1.7457 1.7945 1.7945 4.2641 4.2641 12.8451 12.8451 13.3509 13.3509 14.8753 14.8753 k = 0.0875 0.0654 0.0000 ( 2933 PWs) bands (ev): -19.1340 -19.1340 -18.9096 -18.9096 -18.5691 -18.5691 -17.8214 -17.8214 -13.1423 -13.1423 -13.1156 -13.1156 -10.8848 -10.8848 -10.4523 -10.4523 -10.3266 -10.3266 -2.4666 -2.4666 -2.0404 -2.0404 -1.7496 -1.7496 -1.0939 -1.0939 0.6022 0.6022 0.6213 0.6213 0.6857 0.6857 1.0606 1.0606 1.0648 1.0648 1.1211 1.1211 1.7489 1.7489 1.7982 1.7982 4.2871 4.2871 12.7941 12.7941 13.3739 13.3739 14.8818 14.8818 k = 0.1000 0.0748 0.0000 ( 2917 PWs) bands (ev): -19.1317 -19.1317 -18.9097 -18.9097 -18.5683 -18.5683 -17.8247 -17.8247 -13.1423 -13.1423 -13.1155 -13.1155 -10.8845 -10.8845 -10.4525 -10.4525 -10.3265 -10.3265 -2.4691 -2.4691 -2.0434 -2.0434 -1.7647 -1.7647 -1.0699 -1.0699 0.5985 0.5985 0.6187 0.6187 0.6881 0.6881 1.0378 1.0378 1.0679 1.0679 1.1230 1.1230 1.7526 1.7526 1.8023 1.8023 4.3127 4.3127 12.7415 12.7415 13.3961 13.3961 14.8893 14.8893 k = 0.1125 0.0841 0.0000 ( 2917 PWs) bands (ev): -19.1291 -19.1291 -18.9098 -18.9098 -18.5674 -18.5674 -17.8285 -17.8285 -13.1422 -13.1422 -13.1154 -13.1154 -10.8843 -10.8843 -10.4527 -10.4527 -10.3265 -10.3265 -2.4719 -2.4719 -2.0467 -2.0467 -1.7804 -1.7804 -1.0442 -1.0442 0.5945 0.5945 0.6158 0.6158 0.6908 0.6908 1.0124 1.0124 1.0717 1.0717 1.1252 1.1252 1.7565 1.7565 1.8068 1.8068 4.3406 4.3406 12.6879 12.6879 13.4175 13.4175 14.8976 14.8976 k = 0.1250 0.0935 0.0000 ( 2917 PWs) bands (ev): -19.1264 -19.1264 -18.9100 -18.9100 -18.5662 -18.5662 -17.8328 -17.8328 -13.1421 -13.1421 -13.1154 -13.1154 -10.8840 -10.8840 -10.4529 -10.4529 -10.3264 -10.3264 -2.4750 -2.4750 -2.0503 -2.0503 -1.7966 -1.7966 -1.0171 -1.0171 0.5901 0.5901 0.6126 0.6126 0.6939 0.6939 0.9851 0.9851 1.0759 1.0759 1.1277 1.1277 1.7607 1.7607 1.8116 1.8116 4.3705 4.3705 12.6338 12.6338 13.4382 13.4382 14.9067 14.9067 k = 0.1375 0.1028 0.0000 ( 2917 PWs) bands (ev): -19.1235 -19.1235 -18.9101 -18.9101 -18.5649 -18.5649 -17.8374 -17.8374 -13.1421 -13.1421 -13.1153 -13.1153 -10.8837 -10.8837 -10.4531 -10.4531 -10.3264 -10.3264 -2.4783 -2.4783 -2.0542 -2.0542 -1.8129 -1.8129 -0.9888 -0.9888 0.5854 0.5854 0.6091 0.6091 0.6972 0.6972 0.9562 0.9562 1.0805 1.0805 1.1305 1.1305 1.7652 1.7652 1.8166 1.8166 4.4021 4.4021 12.5796 12.5796 13.4584 13.4584 14.9165 14.9165 k = 0.1500 0.1122 0.0000 ( 2909 PWs) bands (ev): -19.1204 -19.1204 -18.9103 -18.9103 -18.5633 -18.5633 -17.8426 -17.8426 -13.1420 -13.1420 -13.1153 -13.1153 -10.8833 -10.8833 -10.4534 -10.4534 -10.3263 -10.3263 -2.4818 -2.4818 -2.0583 -2.0583 -1.8293 -1.8293 -0.9595 -0.9595 0.5805 0.5805 0.6053 0.6053 0.7008 0.7008 0.9259 0.9259 1.0855 1.0855 1.1336 1.1336 1.7699 1.7699 1.8219 1.8219 4.4348 4.4348 12.5259 12.5259 13.4782 13.4782 14.9271 14.9271 k = 0.1625 0.1215 0.0000 ( 2909 PWs) bands (ev): -19.1172 -19.1172 -18.9104 -18.9104 -18.5614 -18.5614 -17.8481 -17.8481 -13.1419 -13.1419 -13.1152 -13.1152 -10.8830 -10.8830 -10.4537 -10.4537 -10.3263 -10.3263 -2.4855 -2.4855 -2.0628 -2.0628 -1.8456 -1.8456 -0.9294 -0.9294 0.5753 0.5753 0.6012 0.6012 0.7047 0.7047 0.8946 0.8946 1.0908 1.0908 1.1371 1.1371 1.7747 1.7747 1.8273 1.8273 4.4685 4.4685 12.4729 12.4729 13.4976 13.4976 14.9383 14.9383 k = 0.1750 0.1309 0.0000 ( 2909 PWs) bands (ev): -19.1139 -19.1139 -18.9106 -18.9106 -18.5593 -18.5593 -17.8540 -17.8540 -13.1418 -13.1418 -13.1151 -13.1151 -10.8826 -10.8826 -10.4539 -10.4539 -10.3262 -10.3262 -2.4895 -2.4895 -2.0674 -2.0674 -1.8618 -1.8618 -0.8987 -0.8987 0.5699 0.5699 0.5969 0.5969 0.7088 0.7088 0.8624 0.8624 1.0964 1.0964 1.1409 1.1409 1.7797 1.7797 1.8328 1.8328 4.5028 4.5028 12.4210 12.4210 13.5167 13.5167 14.9500 14.9500 k = 0.1875 0.1402 0.0000 ( 2909 PWs) bands (ev): -19.1105 -19.1105 -18.9108 -18.9108 -18.5568 -18.5568 -17.8604 -17.8604 -13.1417 -13.1417 -13.1150 -13.1150 -10.8822 -10.8822 -10.4542 -10.4542 -10.3261 -10.3261 -2.4935 -2.4935 -2.0722 -2.0722 -1.8776 -1.8776 -0.8675 -0.8675 0.5644 0.5644 0.5924 0.5924 0.7131 0.7131 0.8297 0.8297 1.1023 1.1023 1.1451 1.1451 1.7846 1.7846 1.8383 1.8383 4.5373 4.5373 12.3707 12.3707 13.5356 13.5356 14.9622 14.9622 k = 0.2000 0.1496 0.0000 ( 2909 PWs) bands (ev): -19.1071 -19.1071 -18.9110 -18.9110 -18.5540 -18.5540 -17.8672 -17.8672 -13.1416 -13.1416 -13.1150 -13.1150 -10.8818 -10.8818 -10.4545 -10.4545 -10.3261 -10.3261 -2.4977 -2.4977 -2.0772 -2.0772 -1.8932 -1.8932 -0.8361 -0.8361 0.5587 0.5587 0.5879 0.5879 0.7175 0.7175 0.7967 0.7967 1.1084 1.1084 1.1495 1.1495 1.7896 1.7896 1.8439 1.8439 4.5718 4.5718 12.3222 12.3222 13.5543 13.5543 14.9749 14.9749 k = 0.2125 0.1589 0.0000 ( 2917 PWs) bands (ev): -19.1037 -19.1037 -18.9112 -18.9112 -18.5509 -18.5509 -17.8743 -17.8743 -13.1415 -13.1415 -13.1149 -13.1149 -10.8814 -10.8814 -10.4549 -10.4549 -10.3260 -10.3260 -2.5021 -2.5021 -2.0823 -2.0823 -1.9083 -1.9083 -0.8045 -0.8045 0.5529 0.5529 0.5831 0.5831 0.7221 0.7221 0.7636 0.7636 1.1148 1.1148 1.1541 1.1541 1.7946 1.7946 1.8493 1.8493 4.6059 4.6059 12.2757 12.2757 13.5728 13.5728 14.9878 14.9878 k = 0.2250 0.1683 0.0000 ( 2905 PWs) bands (ev): -19.1004 -19.1004 -18.9113 -18.9113 -18.5473 -18.5473 -17.8818 -17.8818 -13.1414 -13.1414 -13.1148 -13.1148 -10.8810 -10.8810 -10.4551 -10.4551 -10.3259 -10.3259 -2.5064 -2.5064 -2.0875 -2.0875 -1.9229 -1.9229 -0.7729 -0.7729 0.5470 0.5470 0.5783 0.5783 0.7269 0.7269 0.7307 0.7307 1.1213 1.1213 1.1591 1.1591 1.7995 1.7995 1.8547 1.8547 4.6394 4.6394 12.2316 12.2316 13.5912 13.5912 15.0011 15.0011 k = 0.2375 0.1776 0.0000 ( 2913 PWs) bands (ev): -19.0971 -19.0971 -18.9115 -18.9115 -18.5435 -18.5435 -17.8896 -17.8896 -13.1413 -13.1413 -13.1147 -13.1147 -10.8806 -10.8806 -10.4555 -10.4555 -10.3258 -10.3258 -2.5109 -2.5109 -2.0928 -2.0928 -1.9370 -1.9370 -0.7415 -0.7415 0.5410 0.5410 0.5735 0.5735 0.6982 0.6982 0.7316 0.7316 1.1280 1.1280 1.1643 1.1643 1.8042 1.8042 1.8599 1.8599 4.6720 4.6720 12.1901 12.1901 13.6094 13.6094 15.0145 15.0145 k = 0.2500 0.1870 0.0000 ( 2913 PWs) bands (ev): -19.0938 -19.0938 -18.9117 -18.9117 -18.5392 -18.5392 -17.8978 -17.8978 -13.1412 -13.1412 -13.1146 -13.1146 -10.8801 -10.8801 -10.4558 -10.4558 -10.3258 -10.3258 -2.5153 -2.5153 -2.0981 -2.0981 -1.9506 -1.9506 -0.7102 -0.7102 0.5349 0.5349 0.5686 0.5686 0.6664 0.6664 0.7365 0.7365 1.1348 1.1348 1.1697 1.1697 1.8089 1.8089 1.8650 1.8650 4.7036 4.7036 12.1512 12.1512 13.6275 13.6275 15.0279 15.0279 k = 0.2625 0.1963 0.0000 ( 2913 PWs) bands (ev): -19.0907 -19.0907 -18.9119 -18.9119 -18.5345 -18.5345 -17.9062 -17.9062 -13.1411 -13.1411 -13.1145 -13.1145 -10.8797 -10.8797 -10.4561 -10.4561 -10.3257 -10.3257 -2.5198 -2.5198 -2.1034 -2.1034 -1.9636 -1.9636 -0.6794 -0.6794 0.5284 0.5284 0.5638 0.5638 0.6356 0.6356 0.7414 0.7414 1.1416 1.1416 1.1752 1.1752 1.8133 1.8133 1.8698 1.8698 4.7340 4.7340 12.1152 12.1152 13.6453 13.6453 15.0414 15.0414 k = 0.2750 0.2057 0.0000 ( 2905 PWs) bands (ev): -19.0877 -19.0877 -18.9121 -18.9121 -18.5294 -18.5294 -17.9149 -17.9149 -13.1410 -13.1410 -13.1144 -13.1144 -10.8793 -10.8793 -10.4564 -10.4564 -10.3256 -10.3256 -2.5242 -2.5242 -2.1086 -2.1086 -1.9761 -1.9761 -0.6490 -0.6490 0.5215 0.5215 0.5590 0.5590 0.6062 0.6062 0.7462 0.7462 1.1485 1.1485 1.1808 1.1808 1.8176 1.8176 1.8745 1.8745 4.7629 4.7629 12.0822 12.0822 13.6630 13.6630 15.0549 15.0549 k = 0.2875 0.2150 0.0000 ( 2905 PWs) bands (ev): -19.0848 -19.0848 -18.9123 -18.9123 -18.5240 -18.5240 -17.9238 -17.9238 -13.1409 -13.1409 -13.1143 -13.1143 -10.8789 -10.8789 -10.4567 -10.4567 -10.3255 -10.3255 -2.5285 -2.5285 -2.1138 -2.1138 -1.9879 -1.9879 -0.6193 -0.6193 0.5134 0.5134 0.5543 0.5543 0.5790 0.5790 0.7510 0.7510 1.1554 1.1554 1.1865 1.1865 1.8216 1.8216 1.8788 1.8788 4.7903 4.7903 12.0521 12.0521 13.6804 13.6804 15.0681 15.0681 k = 0.3000 0.2244 0.0000 ( 2905 PWs) bands (ev): -19.0821 -19.0821 -18.9125 -18.9125 -18.5182 -18.5182 -17.9329 -17.9329 -13.1408 -13.1408 -13.1142 -13.1142 -10.8784 -10.8784 -10.4570 -10.4570 -10.3254 -10.3254 -2.5328 -2.5328 -2.1189 -2.1189 -1.9991 -1.9991 -0.5904 -0.5904 0.5031 0.5031 0.5498 0.5498 0.5553 0.5553 0.7558 0.7558 1.1622 1.1622 1.1922 1.1922 1.8254 1.8254 1.8830 1.8830 4.8160 4.8160 12.0251 12.0251 13.6975 13.6975 15.0811 15.0811 k = 0.3125 0.2337 0.0000 ( 2893 PWs) bands (ev): -19.0795 -19.0795 -18.9127 -18.9127 -18.5121 -18.5121 -17.9421 -17.9421 -13.1407 -13.1407 -13.1141 -13.1141 -10.8780 -10.8780 -10.4573 -10.4573 -10.3254 -10.3254 -2.5370 -2.5370 -2.1239 -2.1239 -2.0096 -2.0096 -0.5624 -0.5624 0.4889 0.4889 0.5371 0.5371 0.5454 0.5454 0.7604 0.7604 1.1688 1.1688 1.1979 1.1979 1.8290 1.8290 1.8868 1.8868 4.8400 4.8400 12.0010 12.0010 13.7142 13.7142 15.0938 15.0938 k = 0.3250 0.2431 0.0000 ( 2893 PWs) bands (ev): -19.0772 -19.0772 -18.9129 -18.9129 -18.5058 -18.5058 -17.9513 -17.9513 -13.1406 -13.1406 -13.1140 -13.1140 -10.8776 -10.8776 -10.4575 -10.4575 -10.3253 -10.3253 -2.5410 -2.5410 -2.1287 -2.1287 -2.0195 -2.0195 -0.5355 -0.5355 0.4703 0.4703 0.5246 0.5246 0.5412 0.5412 0.7649 0.7649 1.1754 1.1754 1.2035 1.2035 1.8323 1.8323 1.8904 1.8904 4.8622 4.8622 11.9799 11.9799 13.7306 13.7306 15.1061 15.1061 k = 0.3375 0.2524 0.0000 ( 2881 PWs) bands (ev): -19.0750 -19.0750 -18.9130 -18.9130 -18.4993 -18.4993 -17.9606 -17.9606 -13.1405 -13.1405 -13.1139 -13.1139 -10.8773 -10.8773 -10.4577 -10.4577 -10.3252 -10.3252 -2.5449 -2.5449 -2.1333 -2.1333 -2.0288 -2.0288 -0.5097 -0.5097 0.4495 0.4495 0.5161 0.5161 0.5371 0.5371 0.7693 0.7693 1.1817 1.1817 1.2090 1.2090 1.8354 1.8354 1.8937 1.8937 4.8826 4.8826 11.9615 11.9615 13.7464 13.7464 15.1178 15.1178 k = 0.3500 0.2618 0.0000 ( 2873 PWs) bands (ev): -19.0730 -19.0730 -18.9132 -18.9132 -18.4926 -18.4926 -17.9698 -17.9698 -13.1404 -13.1404 -13.1138 -13.1138 -10.8769 -10.8769 -10.4580 -10.4580 -10.3251 -10.3251 -2.5486 -2.5486 -2.1377 -2.1377 -2.0373 -2.0373 -0.4852 -0.4852 0.4283 0.4283 0.5097 0.5097 0.5333 0.5333 0.7734 0.7734 1.1878 1.1878 1.2144 1.2144 1.8382 1.8382 1.8967 1.8967 4.9012 4.9012 11.9459 11.9459 13.7618 13.7618 15.1291 15.1291 k = 0.3625 0.2711 0.0000 ( 2865 PWs) bands (ev): -19.0712 -19.0712 -18.9133 -18.9133 -18.4859 -18.4859 -17.9788 -17.9788 -13.1403 -13.1403 -13.1137 -13.1137 -10.8765 -10.8765 -10.4582 -10.4582 -10.3251 -10.3251 -2.5520 -2.5520 -2.1418 -2.1418 -2.0452 -2.0452 -0.4622 -0.4622 0.4077 0.4077 0.5045 0.5045 0.5297 0.5297 0.7773 0.7773 1.1937 1.1937 1.2195 1.2195 1.8407 1.8407 1.8994 1.8994 4.9180 4.9180 11.9327 11.9327 13.7765 13.7765 15.0876 15.0876 k = 0.3750 0.2805 0.0000 ( 2865 PWs) bands (ev): -19.0696 -19.0696 -18.9134 -18.9134 -18.4792 -18.4792 -17.9877 -17.9877 -13.1402 -13.1402 -13.1136 -13.1136 -10.8762 -10.8762 -10.4584 -10.4584 -10.3250 -10.3250 -2.5553 -2.5553 -2.1457 -2.1457 -2.0524 -2.0524 -0.4407 -0.4407 0.3883 0.3883 0.5002 0.5002 0.5264 0.5264 0.7810 0.7810 1.1991 1.1991 1.2244 1.2244 1.8429 1.8429 1.9018 1.9018 4.9330 4.9330 11.9219 11.9219 13.7905 13.7905 15.0356 15.0356 k = 0.3875 0.2898 0.0000 ( 2861 PWs) bands (ev): -19.0682 -19.0682 -18.9136 -18.9136 -18.4725 -18.4725 -17.9962 -17.9962 -13.1402 -13.1402 -13.1135 -13.1135 -10.8759 -10.8759 -10.4586 -10.4586 -10.3250 -10.3250 -2.5583 -2.5583 -2.1493 -2.1493 -2.0590 -2.0590 -0.4209 -0.4209 0.3704 0.3704 0.4964 0.4964 0.5234 0.5234 0.7844 0.7844 1.2042 1.2042 1.2290 1.2290 1.8450 1.8450 1.9039 1.9039 4.9463 4.9463 11.9131 11.9131 13.8038 13.8038 14.9867 14.9867 k = 0.4000 0.2992 0.0000 ( 2881 PWs) bands (ev): -19.0669 -19.0669 -18.9137 -18.9137 -18.4662 -18.4662 -18.0042 -18.0042 -13.1401 -13.1401 -13.1135 -13.1135 -10.8757 -10.8757 -10.4588 -10.4588 -10.3249 -10.3249 -2.5611 -2.5611 -2.1526 -2.1526 -2.0648 -2.0648 -0.4029 -0.4029 0.3540 0.3540 0.4931 0.4931 0.5206 0.5206 0.7874 0.7874 1.2089 1.2089 1.2332 1.2332 1.8467 1.8467 1.9058 1.9058 4.9579 4.9579 11.9061 11.9061 13.8162 13.8162 14.9414 14.9414 k = 0.4125 0.3085 0.0000 ( 2889 PWs) bands (ev): -19.0659 -19.0659 -18.9138 -18.9138 -18.4602 -18.4602 -18.0117 -18.0117 -13.1401 -13.1401 -13.1134 -13.1134 -10.8755 -10.8755 -10.4590 -10.4590 -10.3249 -10.3249 -2.5635 -2.5635 -2.1555 -2.1555 -2.0700 -2.0700 -0.3867 -0.3867 0.3394 0.3394 0.4902 0.4902 0.5181 0.5181 0.7902 0.7902 1.2131 1.2131 1.2370 1.2370 1.8482 1.8482 1.9074 1.9074 4.9679 4.9679 11.9008 11.9008 13.8276 13.8276 14.9001 14.9001 k = 0.4250 0.3179 0.0000 ( 2881 PWs) bands (ev): -19.0649 -19.0649 -18.9139 -18.9139 -18.4546 -18.4546 -18.0186 -18.0186 -13.1400 -13.1400 -13.1134 -13.1134 -10.8752 -10.8752 -10.4591 -10.4591 -10.3249 -10.3249 -2.5657 -2.5657 -2.1581 -2.1581 -2.0744 -2.0744 -0.3725 -0.3725 0.3267 0.3267 0.4878 0.4878 0.5159 0.5159 0.7927 0.7927 1.2169 1.2169 1.2404 1.2404 1.8495 1.8495 1.9088 1.9088 4.9764 4.9764 11.8968 11.8968 13.8379 13.8379 14.8632 14.8632 k = 0.4375 0.3272 0.0000 ( 2877 PWs) bands (ev): -19.0642 -19.0642 -18.9140 -18.9140 -18.4496 -18.4496 -18.0246 -18.0246 -13.1400 -13.1400 -13.1133 -13.1133 -10.8751 -10.8751 -10.4592 -10.4592 -10.3248 -10.3248 -2.5675 -2.5675 -2.1603 -2.1603 -2.0782 -2.0782 -0.3603 -0.3603 0.3158 0.3158 0.4857 0.4857 0.5141 0.5141 0.7948 0.7948 1.2201 1.2201 1.2433 1.2433 1.8506 1.8506 1.9100 1.9100 4.9835 4.9835 11.8939 11.8939 13.8469 13.8469 14.8312 14.8312 k = 0.4500 0.3366 0.0000 ( 2889 PWs) bands (ev): -19.0635 -19.0635 -18.9141 -18.9141 -18.4453 -18.4453 -18.0298 -18.0298 -13.1400 -13.1400 -13.1133 -13.1133 -10.8749 -10.8749 -10.4593 -10.4593 -10.3248 -10.3248 -2.5691 -2.5691 -2.1621 -2.1621 -2.0813 -2.0813 -0.3503 -0.3503 0.3069 0.3069 0.4840 0.4840 0.5126 0.5126 0.7965 0.7965 1.2228 1.2228 1.2458 1.2458 1.8515 1.8515 1.9109 1.9109 4.9892 4.9892 11.8918 11.8918 13.8545 13.8545 14.8044 14.8044 k = 0.4625 0.3459 0.0000 ( 2894 PWs) bands (ev): -19.0631 -19.0631 -18.9142 -18.9142 -18.4418 -18.4418 -18.0339 -18.0339 -13.1399 -13.1399 -13.1133 -13.1133 -10.8748 -10.8748 -10.4594 -10.4594 -10.3248 -10.3248 -2.5703 -2.5703 -2.1636 -2.1636 -2.0837 -2.0837 -0.3424 -0.3424 0.2998 0.2998 0.4827 0.4827 0.5114 0.5114 0.7978 0.7978 1.2249 1.2249 1.2477 1.2477 1.8521 1.8521 1.9116 1.9116 4.9935 4.9935 11.8905 11.8905 13.8607 13.8607 14.7831 14.7831 k = 0.4750 0.3553 0.0000 ( 2894 PWs) bands (ev): -19.0627 -19.0627 -18.9142 -18.9142 -18.4393 -18.4393 -18.0369 -18.0369 -13.1399 -13.1399 -13.1133 -13.1133 -10.8747 -10.8747 -10.4594 -10.4594 -10.3248 -10.3248 -2.5711 -2.5711 -2.1646 -2.1646 -2.0854 -2.0854 -0.3367 -0.3367 0.2948 0.2948 0.4818 0.4818 0.5105 0.5105 0.7988 0.7988 1.2264 1.2264 1.2491 1.2491 1.8526 1.8526 1.9121 1.9121 4.9966 4.9966 11.8896 11.8896 13.8652 13.8652 14.7677 14.7677 k = 0.4875 0.3646 0.0000 ( 2902 PWs) bands (ev): -19.0625 -19.0625 -18.9142 -18.9142 -18.4377 -18.4377 -18.0388 -18.0388 -13.1399 -13.1399 -13.1133 -13.1133 -10.8747 -10.8747 -10.4595 -10.4595 -10.3248 -10.3248 -2.5717 -2.5717 -2.1652 -2.1652 -2.0864 -2.0864 -0.3334 -0.3334 0.2918 0.2918 0.4812 0.4812 0.5100 0.5100 0.7994 0.7994 1.2273 1.2273 1.2499 1.2499 1.8529 1.8529 1.9124 1.9124 4.9984 4.9984 11.8892 11.8892 13.8679 13.8679 14.7584 14.7584 k = 0.5000 0.3740 0.0000 ( 2902 PWs) bands (ev): -19.0625 -19.0625 -18.9142 -18.9142 -18.4372 -18.4372 -18.0394 -18.0394 -13.1399 -13.1399 -13.1133 -13.1133 -10.8747 -10.8747 -10.4595 -10.4595 -10.3248 -10.3248 -2.5718 -2.5718 -2.1654 -2.1654 -2.0868 -2.0868 -0.3322 -0.3322 0.2908 0.2908 0.4811 0.4811 0.5098 0.5098 0.7996 0.7996 1.2276 1.2276 1.2502 1.2502 1.8530 1.8530 1.9125 1.9125 4.9990 4.9990 11.8890 11.8890 13.8688 13.8688 14.7552 14.7552 k = 0.5000 0.3740 0.0000 ( 2902 PWs) bands (ev): -19.0625 -19.0625 -18.9142 -18.9142 -18.4372 -18.4372 -18.0394 -18.0394 -13.1399 -13.1399 -13.1133 -13.1133 -10.8747 -10.8747 -10.4595 -10.4595 -10.3248 -10.3248 -2.5718 -2.5718 -2.1654 -2.1654 -2.0868 -2.0868 -0.3322 -0.3322 0.2908 0.2908 0.4811 0.4811 0.5098 0.5098 0.7996 0.7996 1.2276 1.2276 1.2502 1.2502 1.8530 1.8530 1.9125 1.9125 4.9990 4.9990 11.8890 11.8890 13.8688 13.8688 14.7552 14.7552 k = 0.4933 0.3829 0.0111 ( 2906 PWs) bands (ev): -19.0621 -19.0621 -18.9140 -18.9140 -18.4373 -18.4373 -18.0393 -18.0393 -13.1403 -13.1403 -13.1134 -13.1134 -10.8748 -10.8748 -10.4598 -10.4598 -10.3259 -10.3259 -2.5802 -2.5802 -2.2039 -2.2039 -2.0379 -2.0379 -0.3322 -0.3322 0.2907 0.2907 0.4817 0.4817 0.5105 0.5105 0.7996 0.7996 1.2276 1.2276 1.2502 1.2502 1.8528 1.8528 1.9123 1.9123 5.0003 5.0003 11.8894 11.8894 13.8637 13.8637 14.7521 14.7521 k = 0.4867 0.3918 0.0223 ( 2906 PWs) bands (ev): -19.0610 -19.0610 -18.9133 -18.9133 -18.4375 -18.4375 -18.0390 -18.0390 -13.1414 -13.1414 -13.1138 -13.1138 -10.8749 -10.8749 -10.4608 -10.4608 -10.3293 -10.3293 -2.6056 -2.6056 -2.2534 -2.2534 -1.9569 -1.9569 -0.3322 -0.3322 0.2905 0.2905 0.4834 0.4834 0.5124 0.5124 0.7996 0.7996 1.2276 1.2276 1.2503 1.2503 1.8523 1.8523 1.9117 1.9117 5.0042 5.0042 11.8904 11.8904 13.8486 13.8486 14.7430 14.7430 k = 0.4800 0.4007 0.0334 ( 2903 PWs) bands (ev): -19.0592 -19.0592 -18.9120 -18.9120 -18.4380 -18.4380 -18.0385 -18.0385 -13.1433 -13.1433 -13.1143 -13.1143 -10.8752 -10.8752 -10.4626 -10.4626 -10.3349 -10.3349 -2.6472 -2.6472 -2.2907 -2.2907 -1.8681 -1.8681 -0.3322 -0.3322 0.2901 0.2901 0.4860 0.4860 0.5160 0.5160 0.7997 0.7997 1.2276 1.2276 1.2505 1.2505 1.8513 1.8513 1.9108 1.9108 5.0108 5.0108 11.8921 11.8921 13.8239 13.8239 14.7290 14.7290 k = 0.4733 0.4096 0.0445 ( 2891 PWs) bands (ev): -19.0567 -19.0567 -18.9103 -18.9103 -18.4385 -18.4385 -18.0377 -18.0377 -13.1460 -13.1460 -13.1149 -13.1149 -10.8756 -10.8756 -10.4653 -10.4653 -10.3423 -10.3423 -2.7019 -2.7019 -2.3151 -2.3151 -1.7752 -1.7752 -0.3322 -0.3322 0.2896 0.2896 0.4891 0.4891 0.5218 0.5218 0.7997 0.7997 1.2273 1.2273 1.2510 1.2510 1.8500 1.8500 1.9095 1.9095 5.0200 5.0200 11.8943 11.8943 13.7900 13.7900 14.7113 14.7113 k = 0.4667 0.4186 0.0557 ( 2887 PWs) bands (ev): -19.0537 -19.0537 -18.9079 -18.9079 -18.4393 -18.4393 -18.0368 -18.0368 -13.1496 -13.1496 -13.1156 -13.1156 -10.8761 -10.8761 -10.4693 -10.4693 -10.3512 -10.3512 -2.7652 -2.7652 -2.3299 -2.3299 -1.6799 -1.6799 -0.3322 -0.3322 0.2889 0.2889 0.4922 0.4922 0.5301 0.5301 0.7998 0.7998 1.2268 1.2268 1.2518 1.2518 1.8482 1.8482 1.9080 1.9080 5.0319 5.0319 11.8971 11.8971 13.7478 13.7478 14.6909 14.6909 k = 0.4600 0.4275 0.0668 ( 2887 PWs) bands (ev): -19.0501 -19.0501 -18.9050 -18.9050 -18.4402 -18.4402 -18.0356 -18.0356 -13.1542 -13.1542 -13.1163 -13.1163 -10.8767 -10.8767 -10.4749 -10.4749 -10.3612 -10.3612 -2.8330 -2.8330 -2.3381 -2.3381 -1.5835 -1.5835 -0.3322 -0.3322 0.2880 0.2880 0.4951 0.4951 0.5413 0.5413 0.8000 0.8000 1.2259 1.2259 1.2530 1.2530 1.8458 1.8458 1.9062 1.9062 5.0465 5.0465 11.9002 11.9002 13.6980 13.6980 14.6686 14.6686 k = 0.4533 0.4364 0.0779 ( 2887 PWs) bands (ev): -19.0461 -19.0461 -18.9014 -18.9014 -18.4413 -18.4413 -18.0343 -18.0343 -13.1598 -13.1598 -13.1170 -13.1170 -10.8775 -10.8775 -10.4826 -10.4826 -10.3715 -10.3715 -2.9026 -2.9026 -2.3420 -2.3420 -1.4867 -1.4867 -0.3323 -0.3323 0.2870 0.2870 0.4979 0.4979 0.5554 0.5554 0.8002 0.8002 1.2245 1.2245 1.2548 1.2548 1.8429 1.8429 1.9042 1.9042 5.0639 5.0639 11.9035 11.9035 13.6417 13.6417 14.6450 14.6450 k = 0.4466 0.4453 0.0891 ( 2891 PWs) bands (ev): -19.0417 -19.0417 -18.8970 -18.8970 -18.4425 -18.4425 -18.0327 -18.0327 -13.1664 -13.1664 -13.1177 -13.1177 -10.8783 -10.8783 -10.4930 -10.4930 -10.3814 -10.3814 -2.9722 -2.9722 -2.3431 -2.3431 -1.3904 -1.3904 -0.3325 -0.3325 0.2858 0.2858 0.5006 0.5006 0.5725 0.5725 0.8006 0.8006 1.2227 1.2227 1.2571 1.2571 1.8394 1.8394 1.9022 1.9022 5.0840 5.0840 11.9068 11.9068 13.5797 13.5797 14.6204 14.6204 k = 0.4400 0.4542 0.1002 ( 2895 PWs) bands (ev): -19.0372 -19.0372 -18.8919 -18.8919 -18.4439 -18.4439 -18.0309 -18.0309 -13.1739 -13.1739 -13.1183 -13.1183 -10.8792 -10.8792 -10.5065 -10.5065 -10.3903 -10.3903 -3.0407 -3.0407 -2.3422 -2.3422 -1.2952 -1.2952 -0.3328 -0.3328 0.2845 0.2845 0.5033 0.5033 0.5926 0.5926 0.8011 0.8011 1.2206 1.2206 1.2600 1.2600 1.8351 1.8351 1.9001 1.9001 5.1070 5.1070 11.9099 11.9099 13.5131 13.5131 14.5951 14.5951 k = 0.4333 0.4631 0.1113 ( 2895 PWs) bands (ev): -19.0325 -19.0325 -18.8859 -18.8859 -18.4454 -18.4454 -18.0290 -18.0290 -13.1823 -13.1823 -13.1188 -13.1188 -10.8803 -10.8803 -10.5235 -10.5235 -10.3978 -10.3978 -3.1074 -3.1074 -2.3399 -2.3399 -1.2018 -1.2018 -0.3331 -0.3331 0.2831 0.2831 0.5060 0.5060 0.6156 0.6156 0.8017 0.8017 1.2180 1.2180 1.2634 1.2634 1.8301 1.8301 1.8980 1.8980 5.1330 5.1330 11.9124 11.9124 13.4430 13.4430 14.5693 14.5693 k = 0.4266 0.4721 0.1225 ( 2893 PWs) bands (ev): -19.0279 -19.0279 -18.8790 -18.8790 -18.4471 -18.4471 -18.0268 -18.0268 -13.1916 -13.1916 -13.1193 -13.1193 -10.8814 -10.8814 -10.5436 -10.5436 -10.4038 -10.4038 -3.1720 -3.1720 -2.3364 -2.3364 -1.1109 -1.1109 -0.3335 -0.3335 0.2815 0.2815 0.5088 0.5088 0.6416 0.6416 0.8027 0.8027 1.2152 1.2152 1.2673 1.2673 1.8243 1.8243 1.8960 1.8960 5.1618 5.1618 11.9138 11.9138 13.3703 13.3703 14.5429 14.5429 k = 0.4200 0.4810 0.1336 ( 2883 PWs) bands (ev): -19.0234 -19.0234 -18.8712 -18.8712 -18.4488 -18.4488 -18.0245 -18.0245 -13.2017 -13.2017 -13.1198 -13.1198 -10.8825 -10.8825 -10.5665 -10.5665 -10.4084 -10.4084 -3.2340 -3.2340 -2.3321 -2.3321 -1.0230 -1.0230 -0.3340 -0.3340 0.2798 0.2798 0.5118 0.5118 0.6706 0.6706 0.8039 0.8039 1.2121 1.2121 1.2716 1.2716 1.8178 1.8178 1.8940 1.8940 5.1936 5.1936 11.9137 11.9137 13.2961 13.2961 14.5162 14.5162 k = 0.4133 0.4899 0.1448 ( 2893 PWs) bands (ev): -19.0191 -19.0191 -18.8625 -18.8625 -18.4507 -18.4507 -18.0220 -18.0220 -13.2127 -13.2127 -13.1203 -13.1203 -10.8838 -10.8838 -10.5917 -10.5917 -10.4121 -10.4121 -3.2934 -3.2934 -2.3270 -2.3270 -0.9388 -0.9388 -0.3345 -0.3345 0.2780 0.2780 0.5150 0.5150 0.7023 0.7023 0.8056 0.8056 1.2088 1.2088 1.2764 1.2764 1.8104 1.8104 1.8920 1.8920 5.2285 5.2285 11.9115 11.9115 13.2217 13.2217 14.4892 14.4892 k = 0.4066 0.4988 0.1559 ( 2897 PWs) bands (ev): -19.0151 -19.0151 -18.8528 -18.8528 -18.4527 -18.4527 -18.0193 -18.0193 -13.2245 -13.2245 -13.1207 -13.1207 -10.8851 -10.8851 -10.6187 -10.6187 -10.4150 -10.4150 -3.3500 -3.3500 -2.3214 -2.3214 -0.8588 -0.8588 -0.3349 -0.3349 0.2761 0.2761 0.5182 0.5182 0.7363 0.7363 0.8082 0.8082 1.2055 1.2055 1.2815 1.2815 1.8023 1.8023 1.8900 1.8900 5.2663 5.2663 11.9062 11.9062 13.1484 13.1484 14.4621 14.4621 k = 0.4000 0.5077 0.1670 ( 2899 PWs) bands (ev): -19.0114 -19.0114 -18.8423 -18.8423 -18.4548 -18.4548 -18.0164 -18.0164 -13.2369 -13.2369 -13.1211 -13.1211 -10.8864 -10.8864 -10.6471 -10.6471 -10.4173 -10.4173 -3.4037 -3.4037 -2.3153 -2.3153 -0.7837 -0.7837 -0.3350 -0.3350 0.2741 0.2741 0.5217 0.5217 0.7708 0.7708 0.8134 0.8134 1.2021 1.2021 1.2871 1.2871 1.7934 1.7934 1.8881 1.8881 5.3072 5.3072 11.8969 11.8969 13.0774 13.0774 14.4349 14.4349 k = 0.3933 0.5166 0.1782 ( 2891 PWs) bands (ev): -19.0080 -19.0080 -18.8310 -18.8310 -18.4570 -18.4570 -18.0134 -18.0134 -13.2499 -13.2499 -13.1216 -13.1216 -10.8878 -10.8878 -10.6765 -10.6765 -10.4191 -10.4191 -3.4546 -3.4546 -2.3088 -2.3088 -0.7139 -0.7139 -0.3345 -0.3345 0.2722 0.2722 0.5253 0.5253 0.7963 0.7963 0.8304 0.8304 1.1988 1.1988 1.2929 1.2929 1.7838 1.7838 1.8862 1.8862 5.3511 5.3511 11.8827 11.8827 13.0104 13.0104 14.4077 14.4077 k = 0.3866 0.5256 0.1893 ( 2889 PWs) bands (ev): -19.0049 -19.0049 -18.8190 -18.8190 -18.4592 -18.4592 -18.0102 -18.0102 -13.2636 -13.2636 -13.1220 -13.1220 -10.8892 -10.8892 -10.7065 -10.7065 -10.4206 -10.4206 -3.5026 -3.5026 -2.3020 -2.3020 -0.6503 -0.6503 -0.3328 -0.3328 0.2702 0.2702 0.5290 0.5290 0.8056 0.8056 0.8660 0.8660 1.1957 1.1957 1.2991 1.2991 1.7735 1.7735 1.8841 1.8841 5.3978 5.3978 11.8622 11.8622 12.9490 12.9490 14.3807 14.3807 k = 0.3800 0.5345 0.2004 ( 2895 PWs) bands (ev): -19.0022 -19.0022 -18.8064 -18.8064 -18.4615 -18.4615 -18.0069 -18.0069 -13.2777 -13.2777 -13.1224 -13.1224 -10.8907 -10.8907 -10.7368 -10.7368 -10.4218 -10.4218 -3.5477 -3.5477 -2.2950 -2.2950 -0.5940 -0.5940 -0.3290 -0.3290 0.2682 0.2682 0.5329 0.5329 0.8101 0.8101 0.9084 0.9084 1.1929 1.1929 1.3056 1.3056 1.7626 1.7626 1.8820 1.8820 5.4473 5.4473 11.8344 11.8344 12.8945 12.8945 14.3540 14.3540 k = 0.3733 0.5434 0.2116 ( 2893 PWs) bands (ev): -18.9998 -18.9998 -18.7934 -18.7934 -18.4637 -18.4637 -18.0034 -18.0034 -13.2922 -13.2922 -13.1228 -13.1228 -10.8922 -10.8922 -10.7671 -10.7671 -10.4228 -10.4228 -3.5900 -3.5900 -2.2877 -2.2877 -0.5464 -0.5464 -0.3215 -0.3215 0.2663 0.2663 0.5370 0.5370 0.8140 0.8140 0.9528 0.9528 1.1908 1.1908 1.3124 1.3124 1.7511 1.7511 1.8797 1.8797 5.4995 5.4995 11.7985 11.7985 12.8485 12.8485 14.3278 14.3278 k = 0.3666 0.5523 0.2227 ( 2897 PWs) bands (ev): -18.9977 -18.9977 -18.7802 -18.7802 -18.4660 -18.4660 -17.9997 -17.9997 -13.3071 -13.3071 -13.1231 -13.1231 -10.8937 -10.8937 -10.7972 -10.7972 -10.4237 -10.4237 -3.6295 -3.6295 -2.2804 -2.2804 -0.5093 -0.5093 -0.3085 -0.3085 0.2644 0.2644 0.5411 0.5411 0.8178 0.8178 0.9975 0.9975 1.1896 1.1896 1.3195 1.3195 1.7390 1.7390 1.8773 1.8773 5.5541 5.5541 11.7540 11.7540 12.8116 12.8116 14.3023 14.3023 k = 0.3599 0.5612 0.2338 ( 2889 PWs) bands (ev): -18.9959 -18.9959 -18.7668 -18.7668 -18.4683 -18.4683 -17.9959 -17.9959 -13.3221 -13.3221 -13.1235 -13.1235 -10.8952 -10.8952 -10.8267 -10.8267 -10.4244 -10.4244 -3.6662 -3.6662 -2.2729 -2.2729 -0.4840 -0.4840 -0.2884 -0.2884 0.2626 0.2626 0.5453 0.5453 0.8218 0.8218 1.0411 1.0411 1.1903 1.1903 1.3269 1.3269 1.7264 1.7264 1.8746 1.8746 5.6108 5.6108 11.7011 11.7011 12.7842 12.7842 14.2775 14.2775 k = 0.3533 0.5701 0.2450 ( 2891 PWs) bands (ev): -18.9943 -18.9943 -18.7534 -18.7534 -18.4705 -18.4705 -17.9920 -17.9920 -13.3372 -13.3372 -13.1239 -13.1239 -10.8967 -10.8967 -10.8554 -10.8554 -10.4251 -10.4251 -3.7003 -3.7003 -2.2654 -2.2654 -0.4696 -0.4696 -0.2619 -0.2619 0.2609 0.2609 0.5497 0.5497 0.8262 0.8262 1.0809 1.0809 1.1949 1.1949 1.3345 1.3345 1.7132 1.7132 1.8716 1.8716 5.6692 5.6692 11.6406 11.6406 12.7660 12.7660 14.2538 14.2538 k = 0.3466 0.5791 0.2561 ( 2891 PWs) bands (ev): -18.9929 -18.9929 -18.7403 -18.7403 -18.4726 -18.4726 -17.9880 -17.9880 -13.3523 -13.3523 -13.1242 -13.1242 -10.8987 -10.8987 -10.8828 -10.8828 -10.4256 -10.4256 -3.7317 -3.7317 -2.2580 -2.2580 -0.4637 -0.4637 -0.2311 -0.2311 0.2594 0.2594 0.5541 0.5541 0.8309 0.8309 1.1125 1.1125 1.2071 1.2071 1.3423 1.3423 1.6997 1.6997 1.8684 1.8684 5.7289 5.7289 11.5736 11.5736 12.7565 12.7565 14.2311 14.2311 k = 0.3399 0.5880 0.2672 ( 2893 PWs) bands (ev): -18.9918 -18.9918 -18.7275 -18.7275 -18.4747 -18.4747 -17.9839 -17.9839 -13.3673 -13.3673 -13.1245 -13.1245 -10.9115 -10.9115 -10.8982 -10.8982 -10.4261 -10.4261 -3.7606 -3.7606 -2.2506 -2.2506 -0.4638 -0.4638 -0.1984 -0.1984 0.2580 0.2580 0.5586 0.5586 0.8359 0.8359 1.1317 1.1317 1.2305 1.2305 1.3504 1.3504 1.6857 1.6857 1.8647 1.8647 5.7894 5.7894 11.5017 11.5017 12.7546 12.7546 14.2098 14.2098 k = 0.3333 0.5969 0.2784 ( 2897 PWs) bands (ev): -18.9909 -18.9909 -18.7152 -18.7152 -18.4765 -18.4765 -17.9796 -17.9796 -13.3819 -13.3819 -13.1249 -13.1249 -10.9364 -10.9364 -10.9002 -10.9002 -10.4265 -10.4265 -3.7869 -3.7869 -2.2433 -2.2433 -0.4678 -0.4678 -0.1653 -0.1653 0.2569 0.2569 0.5631 0.5631 0.8414 0.8414 1.1407 1.1407 1.2625 1.2625 1.3587 1.3587 1.6713 1.6713 1.8607 1.8607 5.8500 5.8500 11.4266 11.4266 12.7594 12.7594 14.1899 14.1899 k = 0.3266 0.6058 0.2895 ( 2901 PWs) bands (ev): -18.9902 -18.9902 -18.7036 -18.7036 -18.4782 -18.4782 -17.9753 -17.9753 -13.3962 -13.3962 -13.1252 -13.1252 -10.9603 -10.9603 -10.9017 -10.9017 -10.4268 -10.4268 -3.8108 -3.8108 -2.2362 -2.2362 -0.4746 -0.4746 -0.1327 -0.1327 0.2560 0.2560 0.5677 0.5677 0.8471 0.8471 1.1446 1.1446 1.2974 1.2974 1.3673 1.3673 1.6566 1.6566 1.8563 1.8563 5.9100 5.9100 11.3499 11.3499 12.7699 12.7699 14.1717 14.1717 k = 0.3199 0.6147 0.3006 ( 2897 PWs) bands (ev): -18.9896 -18.9896 -18.6928 -18.6928 -18.4797 -18.4797 -17.9709 -17.9709 -13.4098 -13.4098 -13.1255 -13.1255 -10.9827 -10.9827 -10.9030 -10.9030 -10.4271 -10.4271 -3.8323 -3.8323 -2.2293 -2.2293 -0.4836 -0.4836 -0.1010 -0.1010 0.2553 0.2553 0.5723 0.5723 0.8533 0.8533 1.1464 1.1464 1.3318 1.3318 1.3763 1.3763 1.6415 1.6415 1.8514 1.8514 5.9686 5.9686 11.2732 11.2732 12.7853 12.7853 14.1554 14.1554 k = 0.3199 0.6147 0.3006 ( 2897 PWs) bands (ev): -18.9896 -18.9896 -18.6928 -18.6928 -18.4797 -18.4797 -17.9709 -17.9709 -13.4098 -13.4098 -13.1255 -13.1255 -10.9827 -10.9827 -10.9030 -10.9030 -10.4271 -10.4271 -3.8323 -3.8323 -2.2293 -2.2293 -0.4836 -0.4836 -0.1010 -0.1010 0.2553 0.2553 0.5723 0.5723 0.8533 0.8533 1.1464 1.1464 1.3318 1.3318 1.3763 1.3763 1.6415 1.6415 1.8514 1.8514 5.9686 5.9686 11.2732 11.2732 12.7853 12.7853 14.1554 14.1554 k = 0.3060 0.6107 0.3057 ( 2901 PWs) bands (ev): -18.9894 -18.9894 -18.6882 -18.6882 -18.4805 -18.4805 -17.9686 -17.9686 -13.4159 -13.4159 -13.1256 -13.1256 -10.9924 -10.9924 -10.9035 -10.9035 -10.4272 -10.4272 -3.8413 -3.8413 -2.2262 -2.2262 -0.4898 -0.4898 -0.0855 -0.0855 0.2556 0.2556 0.5745 0.5745 0.8556 0.8556 1.1475 1.1475 1.3466 1.3466 1.3803 1.3803 1.6347 1.6347 1.8488 1.8488 5.9943 5.9943 11.2383 11.2383 12.7948 12.7948 14.1488 14.1488 k = 0.2921 0.6066 0.3108 ( 2901 PWs) bands (ev): -18.9893 -18.9893 -18.6837 -18.6837 -18.4816 -18.4816 -17.9661 -17.9661 -13.4217 -13.4217 -13.1258 -13.1258 -11.0017 -11.0017 -10.9041 -10.9041 -10.4273 -10.4273 -3.8495 -3.8495 -2.2230 -2.2230 -0.4993 -0.4993 -0.0677 -0.0677 0.2570 0.2570 0.5768 0.5768 0.8568 0.8568 1.1499 1.1499 1.3602 1.3602 1.3840 1.3840 1.6283 1.6283 1.8454 1.8454 6.0190 6.0190 11.2028 11.2028 12.8074 12.8074 14.1434 14.1434 k = 0.2782 0.6025 0.3159 ( 2903 PWs) bands (ev): -18.9893 -18.9893 -18.6792 -18.6792 -18.4831 -18.4831 -17.9632 -17.9632 -13.4274 -13.4274 -13.1259 -13.1259 -11.0107 -11.0107 -10.9046 -10.9046 -10.4274 -10.4274 -3.8572 -3.8572 -2.2197 -2.2197 -0.5114 -0.5114 -0.0482 -0.0482 0.2595 0.2595 0.5794 0.5794 0.8569 0.8569 1.1538 1.1538 1.3718 1.3718 1.3878 1.3878 1.6222 1.6222 1.8413 1.8413 6.0427 6.0427 11.1672 11.1672 12.8228 12.8228 14.1391 14.1391 k = 0.2643 0.5985 0.3209 ( 2903 PWs) bands (ev): -18.9893 -18.9893 -18.6748 -18.6748 -18.4848 -18.4848 -17.9601 -17.9601 -13.4329 -13.4329 -13.1260 -13.1260 -11.0192 -11.0192 -10.9051 -10.9051 -10.4274 -10.4274 -3.8642 -3.8642 -2.2165 -2.2165 -0.5256 -0.5256 -0.0276 -0.0276 0.2632 0.2632 0.5821 0.5821 0.8558 0.8558 1.1592 1.1592 1.3799 1.3799 1.3933 1.3933 1.6167 1.6167 1.8363 1.8363 6.0654 6.0654 11.1316 11.1316 12.8405 12.8405 14.1360 14.1360 k = 0.2504 0.5944 0.3260 ( 2905 PWs) bands (ev): -18.9894 -18.9894 -18.6706 -18.6706 -18.4868 -18.4868 -17.9568 -17.9568 -13.4382 -13.4382 -13.1261 -13.1261 -11.0274 -11.0274 -10.9057 -10.9057 -10.4274 -10.4274 -3.8706 -3.8706 -2.2132 -2.2132 -0.5414 -0.5414 -0.0066 -0.0066 0.2682 0.2682 0.5850 0.5850 0.8537 0.8537 1.1662 1.1662 1.3834 1.3834 1.4016 1.4016 1.6118 1.6118 1.8306 1.8306 6.0870 6.0870 11.0962 11.0962 12.8604 12.8604 14.1344 14.1344 k = 0.2365 0.5903 0.3311 ( 2907 PWs) bands (ev): -18.9895 -18.9895 -18.6663 -18.6663 -18.4891 -18.4891 -17.9533 -17.9533 -13.4433 -13.4433 -13.1263 -13.1263 -11.0352 -11.0352 -10.9062 -10.9062 -10.4274 -10.4274 -3.8765 -3.8765 -2.2100 -2.2100 -0.5583 -0.5583 0.0143 0.0143 0.2747 0.2747 0.5880 0.5880 0.8506 0.8506 1.1748 1.1748 1.3844 1.3844 1.4104 1.4104 1.6074 1.6074 1.8240 1.8240 6.1075 6.1075 11.0613 11.0613 12.8821 12.8821 14.1343 14.1343 k = 0.2226 0.5863 0.3362 ( 2911 PWs) bands (ev): -18.9897 -18.9897 -18.6622 -18.6622 -18.4916 -18.4916 -17.9498 -17.9498 -13.4481 -13.4481 -13.1264 -13.1264 -11.0426 -11.0426 -10.9066 -10.9066 -10.4274 -10.4274 -3.8819 -3.8819 -2.2069 -2.2069 -0.5761 -0.5761 0.0346 0.0346 0.2826 0.2826 0.5911 0.5911 0.8467 0.8467 1.1849 1.1849 1.3840 1.3840 1.4187 1.4187 1.6037 1.6037 1.8164 1.8164 6.1269 6.1269 11.0271 11.0271 12.9051 12.9051 14.1359 14.1359 k = 0.2087 0.5822 0.3412 ( 2915 PWs) bands (ev): -18.9899 -18.9899 -18.6581 -18.6581 -18.4943 -18.4943 -17.9462 -17.9462 -13.4528 -13.4528 -13.1265 -13.1265 -11.0495 -11.0495 -10.9071 -10.9071 -10.4274 -10.4274 -3.8867 -3.8867 -2.2038 -2.2038 -0.5942 -0.5942 0.0537 0.0537 0.2922 0.2922 0.5942 0.5942 0.8421 0.8421 1.1963 1.1963 1.3827 1.3827 1.4262 1.4262 1.6006 1.6006 1.8080 1.8080 6.1453 6.1453 10.9939 10.9939 12.9291 12.9291 14.1393 14.1393 k = 0.1947 0.5781 0.3463 ( 2921 PWs) bands (ev): -18.9901 -18.9901 -18.6541 -18.6541 -18.4971 -18.4971 -17.9426 -17.9426 -13.4572 -13.4572 -13.1266 -13.1266 -11.0560 -11.0560 -10.9076 -10.9076 -10.4274 -10.4274 -3.8910 -3.8910 -2.2008 -2.2008 -0.6125 -0.6125 0.0713 0.0713 0.3034 0.3034 0.5975 0.5975 0.8369 0.8369 1.2089 1.2089 1.3807 1.3807 1.4328 1.4328 1.5982 1.5982 1.7986 1.7986 6.1626 6.1626 10.9618 10.9618 12.9537 12.9537 14.1445 14.1445 k = 0.1808 0.5741 0.3514 ( 2919 PWs) bands (ev): -18.9904 -18.9904 -18.6501 -18.6501 -18.5000 -18.5000 -17.9390 -17.9390 -13.4613 -13.4613 -13.1267 -13.1267 -11.0622 -11.0622 -10.9080 -10.9080 -10.4273 -10.4273 -3.8948 -3.8948 -2.1979 -2.1979 -0.6306 -0.6306 0.0871 0.0871 0.3161 0.3161 0.6007 0.6007 0.8313 0.8313 1.2227 1.2227 1.3781 1.3781 1.4385 1.4385 1.5963 1.5963 1.7884 1.7884 6.1788 6.1788 10.9311 10.9311 12.9785 12.9785 14.1518 14.1518 k = 0.1669 0.5700 0.3565 ( 2923 PWs) bands (ev): -18.9907 -18.9907 -18.6463 -18.6463 -18.5031 -18.5031 -17.9355 -17.9355 -13.4652 -13.4652 -13.1268 -13.1268 -11.0678 -11.0678 -10.9084 -10.9084 -10.4273 -10.4273 -3.8983 -3.8983 -2.1951 -2.1951 -0.6482 -0.6482 0.1010 0.1010 0.3302 0.3302 0.6040 0.6040 0.8255 0.8255 1.2374 1.2374 1.3750 1.3750 1.4433 1.4433 1.5949 1.5949 1.7772 1.7772 6.1938 6.1938 10.9019 10.9019 13.0030 13.0030 14.1611 14.1611 k = 0.1530 0.5659 0.3616 ( 2927 PWs) bands (ev): -18.9910 -18.9910 -18.6425 -18.6425 -18.5062 -18.5062 -17.9322 -17.9322 -13.4688 -13.4688 -13.1269 -13.1269 -11.0731 -11.0731 -10.9088 -10.9088 -10.4272 -10.4272 -3.9013 -3.9013 -2.1925 -2.1925 -0.6653 -0.6653 0.1131 0.1131 0.3454 0.3454 0.6073 0.6073 0.8194 0.8194 1.2528 1.2528 1.3717 1.3717 1.4473 1.4473 1.5939 1.5939 1.7652 1.7652 6.2077 6.2077 10.8744 10.8744 13.0270 13.0270 14.1724 14.1724 k = 0.1391 0.5619 0.3666 ( 2926 PWs) bands (ev): -18.9912 -18.9912 -18.6389 -18.6389 -18.5093 -18.5093 -17.9290 -17.9290 -13.4721 -13.4721 -13.1270 -13.1270 -11.0779 -11.0779 -10.9091 -10.9091 -10.4271 -10.4271 -3.9039 -3.9039 -2.1900 -2.1900 -0.6815 -0.6815 0.1234 0.1234 0.3611 0.3611 0.6105 0.6105 0.8134 0.8134 1.2688 1.2688 1.3683 1.3683 1.4506 1.4506 1.5932 1.5932 1.7525 1.7525 6.2205 6.2205 10.8488 10.8488 13.0500 13.0500 14.1856 14.1856 k = 0.1252 0.5578 0.3717 ( 2922 PWs) bands (ev): -18.9915 -18.9915 -18.6354 -18.6354 -18.5123 -18.5123 -17.9260 -17.9260 -13.4751 -13.4751 -13.1271 -13.1271 -11.0822 -11.0822 -10.9095 -10.9095 -10.4271 -10.4271 -3.9061 -3.9061 -2.1878 -2.1878 -0.6967 -0.6967 0.1321 0.1321 0.3771 0.3771 0.6136 0.6136 0.8073 0.8073 1.2850 1.2850 1.3651 1.3651 1.4532 1.4532 1.5929 1.5929 1.7392 1.7392 6.2321 6.2321 10.8253 10.8253 13.0716 13.0716 14.2005 14.2005 k = 0.1113 0.5538 0.3768 ( 2922 PWs) bands (ev): -18.9918 -18.9918 -18.6320 -18.6320 -18.5153 -18.5153 -17.9232 -17.9232 -13.4779 -13.4779 -13.1271 -13.1271 -11.0861 -11.0861 -10.9098 -10.9098 -10.4270 -10.4270 -3.9081 -3.9081 -2.1857 -2.1857 -0.7107 -0.7107 0.1393 0.1393 0.3928 0.3928 0.6165 0.6165 0.8015 0.8015 1.3009 1.3009 1.3625 1.3625 1.4552 1.4552 1.5926 1.5926 1.7254 1.7254 6.2425 6.2425 10.8038 10.8038 13.0916 13.0916 14.2168 14.2168 k = 0.0974 0.5497 0.3819 ( 2914 PWs) bands (ev): -18.9921 -18.9921 -18.6289 -18.6289 -18.5182 -18.5182 -17.9207 -17.9207 -13.4803 -13.4803 -13.1272 -13.1272 -11.0896 -11.0896 -10.9100 -10.9100 -10.4269 -10.4269 -3.9097 -3.9097 -2.1838 -2.1838 -0.7234 -0.7234 0.1454 0.1454 0.4078 0.4078 0.6194 0.6194 0.7959 0.7959 1.3158 1.3158 1.3613 1.3613 1.4567 1.4567 1.5925 1.5925 1.7115 1.7115 6.2518 6.2518 10.7846 10.7846 13.1097 13.1097 14.2340 14.2340 k = 0.0835 0.5456 0.3869 ( 2916 PWs) bands (ev): -18.9923 -18.9923 -18.6260 -18.6260 -18.5209 -18.5209 -17.9185 -17.9185 -13.4824 -13.4824 -13.1272 -13.1272 -11.0926 -11.0926 -10.9103 -10.9103 -10.4269 -10.4269 -3.9111 -3.9111 -2.1822 -2.1822 -0.7346 -0.7346 0.1503 0.1503 0.4217 0.4217 0.6220 0.6220 0.7906 0.7906 1.3276 1.3276 1.3631 1.3631 1.4577 1.4577 1.5923 1.5923 1.6976 1.6976 6.2598 6.2598 10.7678 10.7678 13.1258 13.1258 14.2516 14.2516 k = 0.0696 0.5416 0.3920 ( 2921 PWs) bands (ev): -18.9925 -18.9925 -18.6234 -18.6234 -18.5233 -18.5233 -17.9166 -17.9166 -13.4842 -13.4842 -13.1273 -13.1273 -11.0951 -11.0951 -10.9105 -10.9105 -10.4268 -10.4268 -3.9122 -3.9122 -2.1808 -2.1808 -0.7444 -0.7444 0.1543 0.1543 0.4341 0.4341 0.6244 0.6244 0.7859 0.7859 1.3341 1.3341 1.3700 1.3700 1.4581 1.4581 1.5920 1.5920 1.6843 1.6843 6.2666 6.2666 10.7534 10.7534 13.1396 13.1396 14.2688 14.2688 k = 0.0556 0.5375 0.3971 ( 2916 PWs) bands (ev): -18.9927 -18.9927 -18.6212 -18.6212 -18.5254 -18.5254 -17.9150 -17.9150 -13.4857 -13.4857 -13.1273 -13.1273 -11.0972 -11.0972 -10.9106 -10.9106 -10.4267 -10.4267 -3.9131 -3.9131 -2.1796 -2.1796 -0.7524 -0.7524 0.1575 0.1575 0.4447 0.4447 0.6264 0.6264 0.7817 0.7817 1.3361 1.3361 1.3809 1.3809 1.4581 1.4581 1.5916 1.5916 1.6720 1.6720 6.2722 6.2722 10.7415 10.7415 13.1510 13.1510 14.2847 14.2847 k = 0.0417 0.5334 0.4022 ( 2918 PWs) bands (ev): -18.9928 -18.9928 -18.6194 -18.6194 -18.5271 -18.5271 -17.9137 -17.9137 -13.4868 -13.4868 -13.1274 -13.1274 -11.0988 -11.0988 -10.9107 -10.9107 -10.4267 -10.4267 -3.9137 -3.9137 -2.1787 -2.1787 -0.7588 -0.7588 0.1599 0.1599 0.4533 0.4533 0.6281 0.6281 0.7784 0.7784 1.3360 1.3360 1.3925 1.3925 1.4577 1.4577 1.5909 1.5909 1.6615 1.6615 6.2766 6.2766 10.7322 10.7322 13.1599 13.1599 14.2984 14.2984 k = 0.0278 0.5294 0.4072 ( 2912 PWs) bands (ev): -18.9929 -18.9929 -18.6180 -18.6180 -18.5284 -18.5284 -17.9128 -17.9128 -13.4877 -13.4877 -13.1274 -13.1274 -11.1000 -11.1000 -10.9108 -10.9108 -10.4267 -10.4267 -3.9142 -3.9142 -2.1781 -2.1781 -0.7634 -0.7634 0.1616 0.1616 0.4595 0.4595 0.6294 0.6294 0.7758 0.7758 1.3355 1.3355 1.4026 1.4026 1.4570 1.4570 1.5902 1.5902 1.6534 1.6534 6.2797 6.2797 10.7255 10.7255 13.1663 13.1663 14.3089 14.3090 k = 0.0139 0.5253 0.4123 ( 2914 PWs) bands (ev): -18.9930 -18.9930 -18.6172 -18.6172 -18.5292 -18.5292 -17.9123 -17.9123 -13.4882 -13.4882 -13.1274 -13.1274 -11.1006 -11.1006 -10.9109 -10.9109 -10.4266 -10.4266 -3.9145 -3.9145 -2.1777 -2.1777 -0.7661 -0.7661 0.1626 0.1626 0.4634 0.4634 0.6302 0.6302 0.7743 0.7743 1.3350 1.3350 1.4096 1.4096 1.4562 1.4562 1.5895 1.5895 1.6483 1.6483 6.2816 6.2816 10.7215 10.7215 13.1702 13.1702 14.3157 14.3157 k = 0.0000 0.5212 0.4174 ( 2914 PWs) bands (ev): -18.9930 -18.9930 -18.6169 -18.6169 -18.5295 -18.5295 -17.9121 -17.9121 -13.4883 -13.4883 -13.1274 -13.1274 -11.1009 -11.1009 -10.9109 -10.9109 -10.4266 -10.4266 -3.9146 -3.9146 -2.1776 -2.1776 -0.7671 -0.7671 0.1629 0.1629 0.4646 0.4646 0.6305 0.6305 0.7737 0.7737 1.3349 1.3349 1.4122 1.4122 1.4558 1.4558 1.5893 1.5893 1.6465 1.6465 6.2822 6.2822 10.7202 10.7202 13.1714 13.1714 14.3180 14.3180 k = 0.0000 0.5212 0.4174 ( 2914 PWs) bands (ev): -18.9930 -18.9930 -18.6169 -18.6169 -18.5295 -18.5295 -17.9121 -17.9121 -13.4883 -13.4883 -13.1274 -13.1274 -11.1009 -11.1009 -10.9109 -10.9109 -10.4266 -10.4266 -3.9146 -3.9146 -2.1776 -2.1776 -0.7671 -0.7671 0.1629 0.1629 0.4646 0.4646 0.6305 0.6305 0.7737 0.7737 1.3349 1.3349 1.4122 1.4122 1.4558 1.4558 1.5893 1.5893 1.6465 1.6465 6.2822 6.2822 10.7202 10.7202 13.1714 13.1714 14.3180 14.3180 k = 0.0068 0.5122 0.4287 ( 2912 PWs) bands (ev): -18.9924 -18.9924 -18.6169 -18.6169 -18.5295 -18.5295 -17.9121 -17.9121 -13.4885 -13.4885 -13.1277 -13.1277 -11.1010 -11.1010 -10.9110 -10.9110 -10.4277 -10.4277 -3.9226 -3.9226 -2.1671 -2.1671 -0.7669 -0.7669 0.1629 0.1629 0.4641 0.4641 0.6300 0.6300 0.7745 0.7745 1.3340 1.3340 1.4116 1.4116 1.4570 1.4570 1.5901 1.5901 1.6470 1.6470 6.2834 6.2834 10.7195 10.7195 13.1697 13.1697 14.3137 14.3137 k = 0.0135 0.5032 0.4400 ( 2914 PWs) bands (ev): -18.9905 -18.9905 -18.6168 -18.6168 -18.5295 -18.5295 -17.9121 -17.9121 -13.4889 -13.4889 -13.1288 -13.1288 -11.1014 -11.1014 -10.9112 -10.9112 -10.4310 -10.4310 -3.9459 -3.9459 -2.1365 -2.1365 -0.7665 -0.7665 0.1630 0.1630 0.4626 0.4626 0.6286 0.6286 0.7766 0.7766 1.3314 1.3314 1.4101 1.4101 1.4605 1.4605 1.5924 1.5924 1.6484 1.6484 6.2870 6.2870 10.7174 10.7174 13.1644 13.1644 14.3011 14.3011 k = 0.0203 0.4941 0.4512 ( 2922 PWs) bands (ev): -18.9874 -18.9874 -18.6167 -18.6167 -18.5295 -18.5295 -17.9122 -17.9122 -13.4897 -13.4897 -13.1305 -13.1305 -11.1021 -11.1021 -10.9115 -10.9115 -10.4363 -10.4363 -3.9830 -3.9830 -2.0873 -2.0873 -0.7657 -0.7657 0.1632 0.1632 0.4601 0.4601 0.6264 0.6264 0.7801 0.7801 1.3275 1.3275 1.4079 1.4079 1.4656 1.4656 1.5961 1.5961 1.6507 1.6507 6.2931 6.2931 10.7139 10.7139 13.1555 13.1555 14.2804 14.2804 k = 0.0270 0.4851 0.4625 ( 2920 PWs) bands (ev): -18.9831 -18.9831 -18.6165 -18.6165 -18.5294 -18.5294 -17.9123 -17.9123 -13.4907 -13.4907 -13.1328 -13.1328 -11.1030 -11.1030 -10.9119 -10.9119 -10.4438 -10.4438 -4.0313 -4.0313 -2.0222 -2.0222 -0.7647 -0.7647 0.1634 0.1634 0.4566 0.4566 0.6233 0.6233 0.7849 0.7849 1.3226 1.3226 1.4053 1.4053 1.4718 1.4718 1.6013 1.6013 1.6540 1.6540 6.3015 6.3015 10.7090 10.7090 13.1430 13.1430 14.2523 14.2523 k = 0.0338 0.4761 0.4738 ( 2920 PWs) bands (ev): -18.9776 -18.9776 -18.6163 -18.6163 -18.5294 -18.5294 -17.9124 -17.9124 -13.4920 -13.4920 -13.1358 -13.1358 -11.1042 -11.1042 -10.9124 -10.9124 -10.4532 -10.4532 -4.0885 -4.0885 -1.9436 -1.9436 -0.7632 -0.7632 0.1637 0.1637 0.4522 0.4522 0.6195 0.6195 0.7910 0.7910 1.3171 1.3171 1.4024 1.4024 1.4786 1.4786 1.6077 1.6077 1.6583 1.6583 6.3125 6.3125 10.7026 10.7026 13.1268 13.1268 14.2173 14.2173 k = 0.0405 0.4670 0.4851 ( 2924 PWs) bands (ev): -18.9709 -18.9709 -18.6160 -18.6160 -18.5293 -18.5293 -17.9125 -17.9125 -13.4937 -13.4937 -13.1395 -13.1395 -11.1057 -11.1057 -10.9131 -10.9131 -10.4645 -10.4645 -4.1522 -4.1522 -1.8544 -1.8544 -0.7614 -0.7614 0.1641 0.1641 0.4470 0.4470 0.6151 0.6151 0.7982 0.7982 1.3113 1.3113 1.3992 1.3992 1.4855 1.4855 1.6152 1.6152 1.6637 1.6637 6.3259 6.3259 10.6949 10.6949 13.1070 13.1070 14.1763 14.1763 k = 0.0473 0.4580 0.4964 ( 2928 PWs) bands (ev): -18.9631 -18.9631 -18.6157 -18.6157 -18.5293 -18.5293 -17.9127 -17.9127 -13.4958 -13.4958 -13.1437 -13.1437 -11.1075 -11.1075 -10.9139 -10.9139 -10.4776 -10.4776 -4.2202 -4.2202 -1.7567 -1.7567 -0.7591 -0.7591 0.1645 0.1645 0.4409 0.4409 0.6101 0.6101 0.8066 0.8066 1.3054 1.3054 1.3960 1.3960 1.4922 1.4922 1.6238 1.6238 1.6701 1.6701 6.3419 6.3419 10.6856 10.6856 13.0834 13.0834 14.1302 14.1302 k = 0.0541 0.4490 0.5076 ( 2920 PWs) bands (ev): -18.9542 -18.9542 -18.6153 -18.6153 -18.5292 -18.5292 -17.9128 -17.9128 -13.4981 -13.4981 -13.1485 -13.1485 -11.1096 -11.1096 -10.9147 -10.9147 -10.4924 -10.4924 -4.2910 -4.2910 -1.6526 -1.6526 -0.7562 -0.7562 0.1650 0.1650 0.4341 0.4341 0.6048 0.6048 0.8159 0.8159 1.2995 1.2995 1.3927 1.3927 1.4985 1.4985 1.6333 1.6333 1.6775 1.6775 6.3605 6.3605 10.6749 10.6749 13.0560 13.0560 14.0797 14.0797 k = 0.0608 0.4399 0.5189 ( 2916 PWs) bands (ev): -18.9443 -18.9443 -18.6149 -18.6149 -18.5291 -18.5291 -17.9130 -17.9130 -13.5008 -13.5008 -13.1539 -13.1539 -11.1121 -11.1121 -10.9157 -10.9157 -10.5086 -10.5086 -4.3631 -4.3631 -1.5440 -1.5440 -0.7526 -0.7526 0.1656 0.1656 0.4267 0.4267 0.5990 0.5990 0.8263 0.8263 1.2940 1.2940 1.3894 1.3894 1.5042 1.5042 1.6435 1.6435 1.6859 1.6859 6.3818 6.3818 10.6626 10.6626 13.0247 13.0247 14.0257 14.0257 k = 0.0676 0.4309 0.5302 ( 2914 PWs) bands (ev): -18.9333 -18.9333 -18.6144 -18.6144 -18.5291 -18.5291 -17.9132 -17.9132 -13.5039 -13.5039 -13.1597 -13.1597 -11.1149 -11.1149 -10.9167 -10.9167 -10.5261 -10.5261 -4.4355 -4.4355 -1.4327 -1.4327 -0.7478 -0.7478 0.1661 0.1661 0.4187 0.4187 0.5930 0.5930 0.8375 0.8375 1.2887 1.2887 1.3861 1.3861 1.5093 1.5093 1.6543 1.6543 1.6951 1.6951 6.4058 6.4058 10.6488 10.6488 12.9894 12.9894 13.9692 13.9692 k = 0.0743 0.4219 0.5415 ( 2918 PWs) bands (ev): -18.9215 -18.9215 -18.6139 -18.6139 -18.5290 -18.5290 -17.9134 -17.9134 -13.5074 -13.5074 -13.1660 -13.1660 -11.1182 -11.1182 -10.9178 -10.9178 -10.5448 -10.5448 -4.5074 -4.5074 -1.3203 -1.3203 -0.7413 -0.7413 0.1667 0.1667 0.4103 0.4103 0.5869 0.5869 0.8496 0.8496 1.2839 1.2839 1.3828 1.3828 1.5137 1.5137 1.6657 1.6657 1.7051 1.7051 6.4326 6.4326 10.6333 10.6333 12.9499 12.9499 13.9109 13.9109 k = 0.0811 0.4128 0.5528 ( 2918 PWs) bands (ev): -18.9088 -18.9088 -18.6134 -18.6134 -18.5289 -18.5289 -17.9136 -17.9136 -13.5114 -13.5114 -13.1727 -13.1727 -11.1218 -11.1218 -10.9190 -10.9190 -10.5644 -10.5644 -4.5780 -4.5780 -1.2090 -1.2090 -0.7320 -0.7320 0.1673 0.1673 0.4016 0.4016 0.5806 0.5806 0.8625 0.8625 1.2794 1.2794 1.3796 1.3796 1.5175 1.5175 1.6774 1.6774 1.7158 1.7158 6.4622 6.4622 10.6162 10.6162 12.9063 12.9063 13.8516 13.8516 k = 0.0878 0.4038 0.5640 ( 2922 PWs) bands (ev): -18.8954 -18.8954 -18.6128 -18.6128 -18.5289 -18.5289 -17.9138 -17.9138 -13.5158 -13.5158 -13.1796 -13.1796 -11.1259 -11.1259 -10.9202 -10.9202 -10.5847 -10.5847 -4.6469 -4.6469 -1.1021 -1.1021 -0.7178 -0.7178 0.1678 0.1678 0.3928 0.3928 0.5744 0.5744 0.8760 0.8760 1.2754 1.2754 1.3765 1.3765 1.5206 1.5206 1.6894 1.6894 1.7269 1.7269 6.4947 6.4947 10.5974 10.5974 12.8585 12.8585 13.7920 13.7920 k = 0.0946 0.3948 0.5753 ( 2922 PWs) bands (ev): -18.8812 -18.8812 -18.6122 -18.6122 -18.5288 -18.5288 -17.9141 -17.9141 -13.5206 -13.5206 -13.1869 -13.1869 -11.1305 -11.1305 -10.9215 -10.9215 -10.6055 -10.6055 -4.7137 -4.7137 -1.0045 -1.0045 -0.6943 -0.6943 0.1684 0.1684 0.3839 0.3839 0.5682 0.5682 0.8901 0.8901 1.2719 1.2719 1.3734 1.3734 1.5233 1.5233 1.7015 1.7015 1.7384 1.7384 6.5302 6.5302 10.5768 10.5768 12.8065 12.8065 13.7330 13.7330 k = 0.1014 0.3857 0.5866 ( 2924 PWs) bands (ev): -18.8664 -18.8664 -18.6116 -18.6116 -18.5287 -18.5287 -17.9143 -17.9143 -13.5259 -13.5259 -13.1943 -13.1943 -11.1355 -11.1355 -10.9228 -10.9228 -10.6265 -10.6265 -4.7781 -4.7781 -0.9247 -0.9247 -0.6540 -0.6540 0.1688 0.1688 0.3753 0.3753 0.5621 0.5621 0.9048 0.9048 1.2689 1.2689 1.3703 1.3703 1.5255 1.5255 1.7137 1.7137 1.7501 1.7501 6.5687 6.5687 10.5544 10.5544 12.7505 12.7505 13.6750 13.6750 k = 0.1081 0.3767 0.5979 ( 2926 PWs) bands (ev): -18.8512 -18.8512 -18.6109 -18.6109 -18.5286 -18.5286 -17.9146 -17.9146 -13.5317 -13.5317 -13.2019 -13.2019 -11.1411 -11.1411 -10.9242 -10.9242 -10.6476 -10.6476 -4.8399 -4.8399 -0.8698 -0.8698 -0.5907 -0.5907 0.1692 0.1692 0.3670 0.3670 0.5564 0.5564 0.9200 0.9200 1.2663 1.2663 1.3673 1.3673 1.5273 1.5273 1.7258 1.7258 1.7619 1.7619 6.6101 6.6101 10.5301 10.5301 12.6906 12.6906 13.6187 13.6187 k = 0.1149 0.3677 0.6092 ( 2920 PWs) bands (ev): -18.8355 -18.8355 -18.6102 -18.6102 -18.5286 -18.5286 -17.9148 -17.9148 -13.5380 -13.5380 -13.2094 -13.2094 -11.1473 -11.1473 -10.9255 -10.9255 -10.6684 -10.6684 -4.8989 -4.8989 -0.8371 -0.8371 -0.5077 -0.5077 0.1695 0.1695 0.3595 0.3595 0.5509 0.5509 0.9356 0.9356 1.2641 1.2641 1.3642 1.3642 1.5289 1.5289 1.7379 1.7379 1.7736 1.7736 6.6547 6.6547 10.5038 10.5038 12.6272 12.6272 13.5643 13.5643 k = 0.1216 0.3586 0.6204 ( 2924 PWs) bands (ev): -18.8195 -18.8195 -18.6095 -18.6095 -18.5285 -18.5285 -17.9151 -17.9151 -13.5448 -13.5448 -13.2170 -13.2170 -11.1540 -11.1540 -10.9269 -10.9269 -10.6888 -10.6888 -4.9550 -4.9550 -0.8181 -0.8181 -0.4147 -0.4147 0.1696 0.1696 0.3531 0.3531 0.5459 0.5459 0.9515 0.9515 1.2624 1.2624 1.3612 1.3612 1.5302 1.5302 1.7497 1.7497 1.7851 1.7851 6.7022 6.7022 10.4755 10.4755 12.5606 12.5606 13.5123 13.5123 k = 0.1284 0.3496 0.6317 ( 2930 PWs) bands (ev): -18.8033 -18.8033 -18.6088 -18.6088 -18.5285 -18.5285 -17.9154 -17.9154 -13.5521 -13.5521 -13.2244 -13.2244 -11.1612 -11.1612 -10.9283 -10.9283 -10.7087 -10.7087 -5.0080 -5.0080 -0.8064 -0.8064 -0.3190 -0.3190 0.1696 0.1696 0.3483 0.3483 0.5413 0.5413 0.9676 0.9676 1.2610 1.2610 1.3580 1.3580 1.5313 1.5313 1.7613 1.7613 1.7963 1.7963 6.7527 6.7527 10.4450 10.4450 12.4915 12.4915 13.4629 13.4629 k = 0.1351 0.3406 0.6430 ( 2926 PWs) bands (ev): -18.7871 -18.7871 -18.6080 -18.6080 -18.5285 -18.5285 -17.9156 -17.9156 -13.5597 -13.5597 -13.2317 -13.2317 -11.1690 -11.1690 -10.9296 -10.9296 -10.7277 -10.7277 -5.0581 -5.0581 -0.7985 -0.7985 -0.2254 -0.2254 0.1695 0.1695 0.3459 0.3459 0.5373 0.5373 0.9839 0.9839 1.2601 1.2601 1.3549 1.3549 1.5323 1.5323 1.7725 1.7725 1.8071 1.8071 6.8061 6.8061 10.4124 10.4124 12.4204 12.4204 13.4162 13.4162 k = 0.1419 0.3315 0.6543 ( 2924 PWs) bands (ev): -18.7709 -18.7709 -18.6073 -18.6073 -18.5285 -18.5285 -17.9159 -17.9159 -13.5678 -13.5678 -13.2387 -13.2387 -11.1772 -11.1772 -10.9310 -10.9310 -10.7457 -10.7457 -5.1050 -5.1050 -0.7928 -0.7928 -0.1370 -0.1370 0.1691 0.1691 0.3471 0.3471 0.5341 0.5341 1.0003 1.0003 1.2596 1.2596 1.3516 1.3516 1.5333 1.5333 1.7834 1.7834 1.8173 1.8173 6.8623 6.8623 10.3776 10.3776 12.3481 12.3481 13.3723 13.3723 k = 0.1486 0.3225 0.6656 ( 2920 PWs) bands (ev): -18.7548 -18.7548 -18.6064 -18.6064 -18.5285 -18.5285 -17.9161 -17.9161 -13.5762 -13.5762 -13.2454 -13.2454 -11.1859 -11.1859 -10.9323 -10.9323 -10.7627 -10.7627 -5.1489 -5.1489 -0.7886 -0.7886 -0.0569 -0.0569 0.1686 0.1686 0.3535 0.3535 0.5318 0.5318 1.0166 1.0166 1.2594 1.2594 1.3482 1.3482 1.5342 1.5342 1.7939 1.7939 1.8270 1.8270 6.9209 6.9209 10.3405 10.3405 12.2754 12.2754 13.3312 13.3312 k = 0.1554 0.3135 0.6769 ( 2922 PWs) bands (ev): -18.7391 -18.7391 -18.6056 -18.6056 -18.5285 -18.5285 -17.9164 -17.9164 -13.5849 -13.5849 -13.2517 -13.2517 -11.1950 -11.1950 -10.9335 -10.9335 -10.7785 -10.7785 -5.1898 -5.1898 -0.7853 -0.7853 0.0113 0.0113 0.1679 0.1679 0.3672 0.3672 0.5308 0.5308 1.0329 1.0329 1.2596 1.2596 1.3446 1.3446 1.5351 1.5351 1.8039 1.8039 1.8359 1.8359 6.9819 6.9819 10.3011 10.3011 12.2032 12.2032 13.2928 13.2928 k = 0.1622 0.3044 0.6881 ( 2922 PWs) bands (ev): -18.7238 -18.7238 -18.6046 -18.6046 -18.5286 -18.5286 -17.9166 -17.9166 -13.5938 -13.5938 -13.2577 -13.2577 -11.2043 -11.2043 -10.9347 -10.9347 -10.7930 -10.7930 -5.2275 -5.2275 -0.7827 -0.7827 0.0648 0.0648 0.1669 0.1669 0.3898 0.3898 0.5321 0.5321 1.0490 1.0490 1.2601 1.2601 1.3409 1.3409 1.5362 1.5362 1.8134 1.8134 1.8441 1.8441 7.0449 7.0449 10.2595 10.2595 12.1321 12.1321 13.2572 13.2572 k = 0.1689 0.2954 0.6994 ( 2926 PWs) bands (ev): -18.7091 -18.7091 -18.6037 -18.6037 -18.5287 -18.5287 -17.9168 -17.9168 -13.6027 -13.6027 -13.2632 -13.2632 -11.2137 -11.2137 -10.9359 -10.9359 -10.8062 -10.8062 -5.2623 -5.2623 -0.7805 -0.7805 0.1026 0.1026 0.1658 0.1658 0.4199 0.4199 0.5374 0.5374 1.0649 1.0649 1.2608 1.2608 1.3370 1.3370 1.5373 1.5373 1.8224 1.8224 1.8516 1.8516 7.1093 7.1093 10.2159 10.2159 12.0632 12.0632 13.2243 13.2243 k = 0.1757 0.2864 0.7107 ( 2926 PWs) bands (ev): -18.6951 -18.6951 -18.6026 -18.6026 -18.5289 -18.5289 -17.9170 -17.9170 -13.6116 -13.6116 -13.2684 -13.2684 -11.2231 -11.2231 -10.9370 -10.9370 -10.8182 -10.8182 -5.2941 -5.2941 -0.7787 -0.7787 0.1266 0.1266 0.1644 0.1644 0.4506 0.4506 0.5514 0.5514 1.0804 1.0804 1.2619 1.2619 1.3330 1.3330 1.5385 1.5385 1.8308 1.8308 1.8582 1.8582 7.1748 7.1748 10.1704 10.1704 11.9972 11.9972 13.1941 13.1941 k = 0.1824 0.2773 0.7220 ( 2928 PWs) bands (ev): -18.6820 -18.6820 -18.6014 -18.6014 -18.5291 -18.5291 -17.9172 -17.9172 -13.6203 -13.6203 -13.2730 -13.2730 -11.2324 -11.2324 -10.9380 -10.9380 -10.8288 -10.8288 -5.3230 -5.3230 -0.7772 -0.7772 0.1407 0.1407 0.1630 0.1630 0.4723 0.4723 0.5791 0.5791 1.0954 1.0954 1.2632 1.2632 1.3288 1.3288 1.5398 1.5398 1.8385 1.8385 1.8640 1.8640 7.2406 7.2406 10.1235 10.1235 11.9347 11.9347 13.1666 13.1666 k = 0.1892 0.2683 0.7333 ( 2928 PWs) bands (ev): -18.6700 -18.6700 -18.6000 -18.6000 -18.5293 -18.5293 -17.9174 -17.9174 -13.6287 -13.6287 -13.2772 -13.2772 -11.2413 -11.2413 -10.9389 -10.9389 -10.8383 -10.8383 -5.3489 -5.3489 -0.7760 -0.7760 0.1484 0.1484 0.1617 0.1617 0.4834 0.4834 0.6183 0.6183 1.1100 1.1100 1.2647 1.2647 1.3244 1.3244 1.5413 1.5413 1.8455 1.8455 1.8690 1.8690 7.3060 7.3060 10.0757 10.0757 11.8766 11.8766 13.1417 13.1417 k = 0.1959 0.2593 0.7445 ( 2930 PWs) bands (ev): -18.6592 -18.6592 -18.5984 -18.5984 -18.5296 -18.5296 -17.9176 -17.9176 -13.6367 -13.6367 -13.2809 -13.2809 -11.2497 -11.2497 -10.9398 -10.9398 -10.8465 -10.8465 -5.3720 -5.3720 -0.7750 -0.7750 0.1518 0.1518 0.1607 0.1607 0.4886 0.4886 0.6616 0.6616 1.1240 1.1240 1.2663 1.2663 1.3199 1.3199 1.5430 1.5430 1.8518 1.8518 1.8733 1.8733 7.3700 7.3700 10.0277 10.0277 11.8234 11.8234 13.1194 13.1194 k = 0.2027 0.2502 0.7558 ( 2930 PWs) bands (ev): -18.6497 -18.6497 -18.5965 -18.5965 -18.5300 -18.5300 -17.9177 -17.9177 -13.6442 -13.6442 -13.2842 -13.2842 -11.2576 -11.2576 -10.9405 -10.9405 -10.8536 -10.8536 -5.3923 -5.3923 -0.7741 -0.7741 0.1524 0.1524 0.1603 0.1603 0.4912 0.4912 0.7039 0.7039 1.1372 1.1372 1.2679 1.2679 1.3154 1.3154 1.5447 1.5447 1.8574 1.8574 1.8768 1.8768 7.4315 7.4315 9.9805 9.9805 11.7755 11.7755 13.0998 13.0998 k = 0.2095 0.2412 0.7671 ( 2934 PWs) bands (ev): -18.6418 -18.6418 -18.5943 -18.5943 -18.5304 -18.5304 -17.9179 -17.9179 -13.6509 -13.6509 -13.2870 -13.2870 -11.2647 -11.2647 -10.9412 -10.9412 -10.8596 -10.8596 -5.4098 -5.4098 -0.7734 -0.7734 0.1515 0.1515 0.1602 0.1602 0.4926 0.4926 0.7425 0.7425 1.1497 1.1497 1.2693 1.2693 1.3110 1.3110 1.5465 1.5465 1.8622 1.8622 1.8797 1.8797 7.4893 7.4893 9.9352 9.9352 11.7334 11.7334 13.0828 13.0828 k = 0.2162 0.2322 0.7784 ( 2934 PWs) bands (ev): -18.6354 -18.6354 -18.5918 -18.5918 -18.5308 -18.5308 -17.9180 -17.9180 -13.6568 -13.6568 -13.2893 -13.2893 -11.2709 -11.2709 -10.9418 -10.9418 -10.8646 -10.8646 -5.4245 -5.4245 -0.7728 -0.7728 0.1501 0.1501 0.1601 0.1601 0.4934 0.4934 0.7761 0.7761 1.1611 1.1611 1.2704 1.2704 1.3070 1.3070 1.5483 1.5483 1.8662 1.8662 1.8820 1.8820 7.5419 7.5419 9.8930 9.8930 11.6974 11.6974 13.0683 13.0683 k = 0.2230 0.2231 0.7897 ( 2934 PWs) bands (ev): -18.6306 -18.6306 -18.5892 -18.5892 -18.5312 -18.5312 -17.9181 -17.9181 -13.6618 -13.6618 -13.2912 -13.2912 -11.2761 -11.2761 -10.9422 -10.9422 -10.8686 -10.8686 -5.4366 -5.4366 -0.7723 -0.7723 0.1486 0.1486 0.1600 0.1600 0.4939 0.4939 0.8041 0.8041 1.1713 1.1713 1.2709 1.2709 1.3035 1.3035 1.5500 1.5500 1.8693 1.8693 1.8838 1.8838 7.5879 7.5879 9.8556 9.8556 11.6677 11.6677 13.0565 13.0565 k = 0.2297 0.2141 0.8009 ( 2934 PWs) bands (ev): -18.6272 -18.6272 -18.5867 -18.5867 -18.5316 -18.5316 -17.9181 -17.9181 -13.6658 -13.6658 -13.2927 -13.2927 -11.2803 -11.2803 -10.9426 -10.9426 -10.8716 -10.8716 -5.4459 -5.4459 -0.7720 -0.7720 0.1473 0.1473 0.1597 0.1597 0.4942 0.4942 0.8261 0.8261 1.1799 1.1799 1.2708 1.2708 1.3009 1.3009 1.5515 1.5515 1.8717 1.8717 1.8852 1.8852 7.6258 7.6258 9.8244 9.8244 11.6445 11.6445 13.0473 13.0473 k = 0.2365 0.2051 0.8122 ( 2938 PWs) bands (ev): -18.6249 -18.6249 -18.5847 -18.5847 -18.5320 -18.5320 -17.9182 -17.9182 -13.6687 -13.6687 -13.2938 -13.2938 -11.2833 -11.2833 -10.9429 -10.9429 -10.8738 -10.8738 -5.4525 -5.4525 -0.7717 -0.7717 0.1463 0.1463 0.1595 0.1595 0.4944 0.4944 0.8418 0.8418 1.1867 1.1867 1.2700 1.2700 1.2992 1.2992 1.5527 1.5527 1.8733 1.8733 1.8862 1.8862 7.6540 7.6540 9.8008 9.8008 11.6278 11.6278 13.0407 13.0407 k = 0.2432 0.1960 0.8235 ( 2938 PWs) bands (ev): -18.6236 -18.6236 -18.5833 -18.5833 -18.5322 -18.5322 -17.9182 -17.9182 -13.6704 -13.6704 -13.2944 -13.2944 -11.2851 -11.2851 -10.9430 -10.9430 -10.8751 -10.8751 -5.4565 -5.4565 -0.7716 -0.7716 0.1457 0.1457 0.1594 0.1594 0.4945 0.4945 0.8513 0.8513 1.1910 1.1910 1.2693 1.2693 1.2983 1.2983 1.5534 1.5534 1.8742 1.8742 1.8868 1.8868 7.6715 7.6715 9.7862 9.7862 11.6178 11.6178 13.0368 13.0368 k = 0.2500 0.1870 0.8348 ( 2940 PWs) bands (ev): -18.6232 -18.6232 -18.5828 -18.5828 -18.5323 -18.5323 -17.9182 -17.9182 -13.6710 -13.6710 -13.2946 -13.2946 -11.2857 -11.2857 -10.9431 -10.9431 -10.8755 -10.8755 -5.4578 -5.4578 -0.7716 -0.7716 0.1455 0.1455 0.1593 0.1593 0.4946 0.4946 0.8544 0.8544 1.1925 1.1925 1.2689 1.2689 1.2980 1.2980 1.5537 1.5537 1.8745 1.8745 1.8870 1.8870 7.6774 7.6774 9.7812 9.7812 11.6145 11.6145 13.0355 13.0355 k = 0.2500 0.1870 0.8348 ( 2940 PWs) bands (ev): -18.6232 -18.6232 -18.5828 -18.5828 -18.5323 -18.5323 -17.9182 -17.9182 -13.6710 -13.6710 -13.2946 -13.2946 -11.2857 -11.2857 -10.9431 -10.9431 -10.8755 -10.8755 -5.4578 -5.4578 -0.7716 -0.7716 0.1455 0.1455 0.1593 0.1593 0.4946 0.4946 0.8544 0.8544 1.1925 1.1925 1.2689 1.2689 1.2980 1.2980 1.5537 1.5537 1.8745 1.8745 1.8870 1.8870 7.6774 7.6774 9.7812 9.7812 11.6145 11.6145 13.0355 13.0355 k = 0.2600 0.1945 0.8254 ( 2940 PWs) bands (ev): -18.6234 -18.6234 -18.5830 -18.5830 -18.5323 -18.5323 -17.9182 -17.9182 -13.6708 -13.6708 -13.2946 -13.2946 -11.2855 -11.2855 -10.9431 -10.9431 -10.8754 -10.8754 -5.4574 -5.4574 -0.7707 -0.7707 0.1391 0.1391 0.1661 0.1661 0.4930 0.4930 0.8533 0.8533 1.1918 1.1918 1.2576 1.2576 1.3095 1.3095 1.5544 1.5544 1.8712 1.8712 1.8900 1.8900 7.6754 7.6754 9.7828 9.7828 11.6157 11.6157 13.0361 13.0361 k = 0.2700 0.2020 0.8161 ( 2936 PWs) bands (ev): -18.6238 -18.6238 -18.5835 -18.5835 -18.5322 -18.5322 -17.9182 -17.9182 -13.6702 -13.6702 -13.2943 -13.2943 -11.2849 -11.2849 -10.9431 -10.9431 -10.8749 -10.8749 -5.4561 -5.4561 -0.7682 -0.7682 0.1294 0.1294 0.1774 0.1774 0.4884 0.4884 0.8500 0.8500 1.1887 1.1887 1.2401 1.2401 1.3279 1.3279 1.5566 1.5566 1.8648 1.8648 1.8957 1.8957 7.6694 7.6694 9.7876 9.7876 11.6193 11.6193 13.0378 13.0378 k = 0.2800 0.2094 0.8068 ( 2932 PWs) bands (ev): -18.6244 -18.6244 -18.5842 -18.5842 -18.5322 -18.5322 -17.9182 -17.9182 -13.6692 -13.6692 -13.2940 -13.2940 -11.2838 -11.2838 -10.9431 -10.9431 -10.8740 -10.8740 -5.4540 -5.4540 -0.7639 -0.7639 0.1197 0.1197 0.1894 0.1894 0.4807 0.4807 0.8444 0.8444 1.1813 1.1813 1.2256 1.2256 1.3463 1.3463 1.5604 1.5604 1.8573 1.8573 1.9019 1.9019 7.6596 7.6596 9.7956 9.7956 11.6252 11.6252 13.0405 13.0405 k = 0.2900 0.2169 0.7974 ( 2931 PWs) bands (ev): -18.6254 -18.6254 -18.5853 -18.5853 -18.5321 -18.5321 -17.9182 -17.9182 -13.6678 -13.6678 -13.2935 -13.2935 -11.2824 -11.2824 -10.9432 -10.9432 -10.8728 -10.8728 -5.4511 -5.4511 -0.7579 -0.7579 0.1106 0.1106 0.2015 0.2015 0.4700 0.4700 0.8368 0.8368 1.1682 1.1682 1.2165 1.2165 1.3634 1.3634 1.5659 1.5659 1.8493 1.8493 1.9081 1.9081 7.6460 7.6460 9.8066 9.8066 11.6334 11.6334 13.0439 13.0439 k = 0.3000 0.2244 0.7881 ( 2928 PWs) bands (ev): -18.6265 -18.6265 -18.5866 -18.5866 -18.5320 -18.5320 -17.9182 -17.9182 -13.6660 -13.6660 -13.2928 -13.2928 -11.2805 -11.2805 -10.9432 -10.9432 -10.8713 -10.8713 -5.4473 -5.4473 -0.7502 -0.7502 0.1020 0.1020 0.2136 0.2136 0.4566 0.4566 0.8271 0.8271 1.1509 1.1509 1.2116 1.2116 1.3790 1.3790 1.5729 1.5729 1.8409 1.8409 1.9141 1.9141 7.6289 7.6289 9.8207 9.8207 11.6439 11.6439 13.0478 13.0478 k = 0.3100 0.2319 0.7787 ( 2932 PWs) bands (ev): -18.6279 -18.6279 -18.5881 -18.5881 -18.5319 -18.5319 -17.9183 -17.9183 -13.6638 -13.6638 -13.2921 -13.2921 -11.2782 -11.2782 -10.9432 -10.9432 -10.8695 -10.8695 -5.4427 -5.4427 -0.7409 -0.7409 0.0940 0.0940 0.2253 0.2253 0.4406 0.4406 0.8155 0.8155 1.1318 1.1318 1.2087 1.2087 1.3929 1.3929 1.5813 1.5813 1.8322 1.8322 1.9200 1.9200 7.6086 7.6086 9.8376 9.8376 11.6566 11.6566 13.0520 13.0520 k = 0.3200 0.2393 0.7694 ( 2933 PWs) bands (ev): -18.6295 -18.6295 -18.5900 -18.5900 -18.5318 -18.5318 -17.9184 -17.9184 -13.6612 -13.6612 -13.2912 -13.2912 -11.2755 -11.2755 -10.9432 -10.9432 -10.8675 -10.8675 -5.4373 -5.4373 -0.7300 -0.7300 0.0867 0.0867 0.2363 0.2363 0.4223 0.4223 0.8023 0.8023 1.1123 1.1123 1.2066 1.2066 1.4052 1.4052 1.5908 1.5908 1.8233 1.8233 1.9257 1.9257 7.5851 7.5851 9.8573 9.8573 11.6713 11.6713 13.0562 13.0562 k = 0.3300 0.2468 0.7601 ( 2931 PWs) bands (ev): -18.6314 -18.6314 -18.5920 -18.5920 -18.5317 -18.5317 -17.9186 -17.9186 -13.6583 -13.6583 -13.2901 -13.2901 -11.2723 -11.2723 -10.9432 -10.9432 -10.8651 -10.8651 -5.4309 -5.4309 -0.7176 -0.7176 0.0799 0.0799 0.2462 0.2462 0.4021 0.4021 0.7879 0.7879 1.0929 1.0929 1.2047 1.2047 1.4161 1.4161 1.6009 1.6009 1.8142 1.8142 1.9311 1.9311 7.5588 7.5588 9.8797 9.8797 11.6882 11.6882 13.0603 13.0603 k = 0.3400 0.2543 0.7507 ( 2927 PWs) bands (ev): -18.6335 -18.6335 -18.5944 -18.5944 -18.5315 -18.5315 -17.9189 -17.9189 -13.6549 -13.6549 -13.2890 -13.2890 -11.2687 -11.2687 -10.9431 -10.9431 -10.8625 -10.8625 -5.4238 -5.4238 -0.7037 -0.7037 0.0737 0.0737 0.2543 0.2543 0.3805 0.3805 0.7727 0.7727 1.0740 1.0740 1.2029 1.2029 1.4257 1.4257 1.6112 1.6112 1.8050 1.8050 1.9362 1.9362 7.5299 7.5299 9.9046 9.9046 11.7070 11.7070 13.0640 13.0640 k = 0.3500 0.2618 0.7414 ( 2927 PWs) bands (ev): -18.6358 -18.6358 -18.5970 -18.5970 -18.5312 -18.5312 -17.9193 -17.9193 -13.6512 -13.6512 -13.2877 -13.2877 -11.2648 -11.2648 -10.9430 -10.9430 -10.8596 -10.8596 -5.4157 -5.4157 -0.6884 -0.6884 0.0680 0.0680 0.2598 0.2598 0.3581 0.3581 0.7573 0.7573 1.0555 1.0555 1.2009 1.2009 1.4342 1.4342 1.6213 1.6213 1.7958 1.7958 1.9409 1.9409 7.4987 7.4987 9.9318 9.9318 11.7278 11.7278 13.0671 13.0671 k = 0.3600 0.2693 0.7320 ( 2923 PWs) bands (ev): -18.6384 -18.6384 -18.5998 -18.5998 -18.5309 -18.5309 -17.9198 -17.9198 -13.6471 -13.6471 -13.2862 -13.2862 -11.2603 -11.2603 -10.9428 -10.9428 -10.8564 -10.8564 -5.4068 -5.4068 -0.6719 -0.6719 0.0628 0.0628 0.2611 0.2611 0.3365 0.3365 0.7425 0.7425 1.0374 1.0374 1.1988 1.1988 1.4418 1.4418 1.6308 1.6308 1.7866 1.7866 1.9453 1.9453 7.4653 7.4653 9.9613 9.9613 11.7505 11.7505 13.0695 13.0695 k = 0.3700 0.2767 0.7227 ( 2925 PWs) bands (ev): -18.6412 -18.6412 -18.6029 -18.6029 -18.5304 -18.5304 -17.9205 -17.9205 -13.6427 -13.6427 -13.2847 -13.2847 -11.2555 -11.2555 -10.9425 -10.9425 -10.8530 -10.8530 -5.3970 -5.3970 -0.6543 -0.6543 0.0580 0.0580 0.2558 0.2558 0.3176 0.3176 0.7288 0.7288 1.0196 1.0196 1.1966 1.1966 1.4485 1.4485 1.6393 1.6393 1.7775 1.7775 1.9494 1.9494 7.4300 7.4300 9.9928 9.9928 11.7750 11.7750 13.0709 13.0709 k = 0.3800 0.2842 0.7134 ( 2925 PWs) bands (ev): -18.6442 -18.6442 -18.6062 -18.6062 -18.5299 -18.5299 -17.9212 -17.9212 -13.6379 -13.6379 -13.2830 -13.2830 -11.2503 -11.2503 -10.9422 -10.9422 -10.8494 -10.8494 -5.3864 -5.3864 -0.6357 -0.6357 0.0535 0.0535 0.2420 0.2420 0.3031 0.3031 0.7172 0.7172 1.0021 1.0021 1.1942 1.1942 1.4543 1.4543 1.6466 1.6466 1.7687 1.7687 1.9530 1.9530 7.3929 7.3929 10.0263 10.0263 11.8013 11.8013 13.0713 13.0713 k = 0.3900 0.2917 0.7040 ( 2931 PWs) bands (ev): -18.6474 -18.6474 -18.6097 -18.6097 -18.5292 -18.5292 -17.9221 -17.9221 -13.6327 -13.6327 -13.2812 -13.2812 -11.2446 -11.2446 -10.9418 -10.9418 -10.8456 -10.8456 -5.3748 -5.3748 -0.6164 -0.6164 0.0491 0.0491 0.2214 0.2214 0.2914 0.2914 0.7083 0.7083 0.9848 0.9848 1.1917 1.1917 1.4592 1.4592 1.6526 1.6526 1.7601 1.7601 1.9563 1.9563 7.3543 7.3543 10.0616 10.0616 11.8293 11.8293 13.0706 13.0706 k = 0.4000 0.2992 0.6947 ( 2923 PWs) bands (ev): -18.6509 -18.6509 -18.6135 -18.6135 -18.5284 -18.5284 -17.9231 -17.9231 -13.6273 -13.6273 -13.2793 -13.2793 -11.2385 -11.2385 -10.9413 -10.9413 -10.8416 -10.8416 -5.3623 -5.3623 -0.5966 -0.5966 0.0445 0.0445 0.1976 0.1976 0.2791 0.2791 0.7026 0.7026 0.9675 0.9675 1.1891 1.1891 1.4630 1.4630 1.6570 1.6570 1.7519 1.7519 1.9591 1.9591 7.3143 7.3143 10.0986 10.0986 11.8589 11.8589 13.0687 13.0687 k = 0.4100 0.3067 0.6853 ( 2923 PWs) bands (ev): -18.6546 -18.6546 -18.6175 -18.6175 -18.5275 -18.5275 -17.9243 -17.9243 -13.6215 -13.6215 -13.2773 -13.2773 -11.2320 -11.2320 -10.9408 -10.9408 -10.8374 -10.8374 -5.3490 -5.3490 -0.5765 -0.5765 0.0394 0.0394 0.1731 0.1731 0.2642 0.2642 0.7005 0.7005 0.9503 0.9503 1.1864 1.1864 1.4657 1.4657 1.6600 1.6600 1.7441 1.7441 1.9616 1.9616 7.2731 7.2731 10.1372 10.1372 11.8901 11.8901 13.0656 13.0656 k = 0.4200 0.3141 0.6760 ( 2923 PWs) bands (ev): -18.6586 -18.6586 -18.6216 -18.6216 -18.5265 -18.5265 -17.9256 -17.9256 -13.6154 -13.6154 -13.2751 -13.2751 -11.2251 -11.2251 -10.9402 -10.9402 -10.8329 -10.8329 -5.3347 -5.3347 -0.5565 -0.5565 0.0330 0.0330 0.1500 0.1500 0.2459 0.2459 0.7018 0.7018 0.9331 0.9331 1.1836 1.1836 1.4671 1.4671 1.6615 1.6615 1.7368 1.7368 1.9636 1.9636 7.2307 7.2307 10.1773 10.1773 11.9228 11.9228 13.0614 13.0614 k = 0.4300 0.3216 0.6667 ( 2927 PWs) bands (ev): -18.6628 -18.6628 -18.6260 -18.6260 -18.5254 -18.5254 -17.9270 -17.9270 -13.6090 -13.6090 -13.2729 -13.2729 -11.2178 -11.2178 -10.9395 -10.9395 -10.8283 -10.8283 -5.3194 -5.3194 -0.5370 -0.5370 0.0244 0.0244 0.1297 0.1297 0.2243 0.2243 0.7063 0.7063 0.9158 0.9158 1.1808 1.1808 1.4669 1.4669 1.6619 1.6619 1.7299 1.7299 1.9652 1.9652 7.1874 7.1874 10.2188 10.2188 11.9569 11.9569 13.0562 13.0562 k = 0.4400 0.3291 0.6573 ( 2928 PWs) bands (ev): -18.6672 -18.6672 -18.6305 -18.6305 -18.5242 -18.5242 -17.9285 -17.9285 -13.6023 -13.6023 -13.2706 -13.2706 -11.2100 -11.2100 -10.9387 -10.9387 -10.8235 -10.8235 -5.3033 -5.3033 -0.5184 -0.5184 0.0129 0.0129 0.1139 0.1139 0.1998 0.1998 0.7136 0.7136 0.8984 0.8984 1.1780 1.1780 1.4649 1.4649 1.6613 1.6613 1.7233 1.7233 1.9663 1.9663 7.1431 7.1431 10.2615 10.2615 11.9924 11.9924 13.0501 13.0501 k = 0.4500 0.3366 0.6480 ( 2928 PWs) bands (ev): -18.6719 -18.6719 -18.6351 -18.6351 -18.5229 -18.5229 -17.9300 -17.9300 -13.5953 -13.5953 -13.2682 -13.2682 -11.2018 -11.2018 -10.9379 -10.9379 -10.8186 -10.8186 -5.2862 -5.2862 -0.5014 -0.5014 -0.0016 -0.0016 0.1031 0.1031 0.1728 0.1728 0.7231 0.7231 0.8809 0.8809 1.1753 1.1753 1.4609 1.4609 1.6603 1.6603 1.7167 1.7167 1.9671 1.9671 7.0980 7.0980 10.3054 10.3054 12.0291 12.0291 13.0433 13.0433 k = 0.4600 0.3441 0.6386 ( 2928 PWs) bands (ev): -18.6768 -18.6768 -18.6399 -18.6399 -18.5216 -18.5216 -17.9317 -17.9317 -13.5881 -13.5881 -13.2657 -13.2657 -11.1933 -11.1933 -10.9370 -10.9370 -10.8134 -10.8134 -5.2681 -5.2681 -0.4866 -0.4866 -0.0181 -0.0181 0.0966 0.0966 0.1441 0.1441 0.7344 0.7344 0.8634 0.8634 1.1726 1.1726 1.4548 1.4548 1.6591 1.6591 1.7101 1.7101 1.9674 1.9674 7.0522 7.0522 10.3503 10.3503 12.0670 12.0670 13.0361 13.0361 k = 0.4700 0.3515 0.6293 ( 2929 PWs) bands (ev): -18.6819 -18.6819 -18.6448 -18.6448 -18.5203 -18.5203 -17.9334 -17.9334 -13.5806 -13.5806 -13.2631 -13.2631 -11.1843 -11.1843 -10.9361 -10.9361 -10.8081 -10.8081 -5.2491 -5.2491 -0.4747 -0.4747 -0.0350 -0.0350 0.0928 0.0928 0.1153 0.1153 0.7468 0.7468 0.8460 0.8460 1.1701 1.1701 1.4463 1.4463 1.6580 1.6580 1.7033 1.7033 1.9674 1.9674 7.0057 7.0057 10.3961 10.3961 12.1060 12.1060 13.0287 13.0287 k = 0.4800 0.3590 0.6200 ( 2933 PWs) bands (ev): -18.6873 -18.6873 -18.6498 -18.6498 -18.5189 -18.5189 -17.9352 -17.9352 -13.5728 -13.5728 -13.2604 -13.2604 -11.1749 -11.1749 -10.9351 -10.9351 -10.8026 -10.8026 -5.2291 -5.2291 -0.4667 -0.4667 -0.0513 -0.0513 0.0803 0.0803 0.0977 0.0977 0.7595 0.7595 0.8290 0.8290 1.1678 1.1678 1.4355 1.4355 1.6572 1.6572 1.6963 1.6963 1.9669 1.9669 6.9585 6.9585 10.4428 10.4428 12.1459 12.1459 13.0214 13.0214 k = 0.4900 0.3665 0.6106 ( 2929 PWs) bands (ev): -18.6929 -18.6929 -18.6549 -18.6549 -18.5176 -18.5176 -17.9369 -17.9369 -13.5649 -13.5649 -13.2577 -13.2577 -11.1651 -11.1651 -10.9341 -10.9341 -10.7969 -10.7969 -5.2082 -5.2082 -0.4631 -0.4631 -0.0667 -0.0667 0.0533 0.0533 0.0978 0.0978 0.7713 0.7713 0.8134 0.8134 1.1658 1.1658 1.4222 1.4222 1.6566 1.6566 1.6892 1.6892 1.9661 1.9661 6.9107 6.9107 10.4902 10.4902 12.1865 12.1865 13.0146 13.0146 k = 0.5000 0.3740 0.6013 ( 2924 PWs) bands (ev): -18.6987 -18.6987 -18.6601 -18.6601 -18.5162 -18.5162 -17.9386 -17.9386 -13.5567 -13.5567 -13.2549 -13.2549 -11.1549 -11.1549 -10.9330 -10.9330 -10.7911 -10.7911 -5.1863 -5.1863 -0.4644 -0.4644 -0.0823 -0.0823 0.0282 0.0282 0.1010 0.1010 0.7761 0.7761 0.8050 0.8050 1.1641 1.1641 1.4067 1.4067 1.6563 1.6563 1.6819 1.6819 1.9650 1.9650 6.8623 6.8623 10.5381 10.5381 12.2277 12.2277 13.0086 13.0086 k = 0.5000 0.3740 0.6013 ( 2924 PWs) bands (ev): -18.6987 -18.6987 -18.6601 -18.6601 -18.5162 -18.5162 -17.9386 -17.9386 -13.5567 -13.5567 -13.2549 -13.2549 -11.1549 -11.1549 -10.9330 -10.9330 -10.7911 -10.7911 -5.1863 -5.1863 -0.4644 -0.4644 -0.0823 -0.0823 0.0282 0.0282 0.1010 0.1010 0.7761 0.7761 0.8050 0.8050 1.1641 1.1641 1.4067 1.4067 1.6563 1.6563 1.6819 1.6819 1.9650 1.9650 6.8623 6.8623 10.5381 10.5381 12.2277 12.2277 13.0086 13.0086 k = 0.5000 0.3740 0.5855 ( 2924 PWs) bands (ev): -18.7091 -18.7091 -18.6690 -18.6690 -18.5139 -18.5139 -17.9416 -17.9416 -13.5425 -13.5425 -13.2499 -13.2499 -11.1368 -11.1368 -10.9311 -10.9311 -10.7808 -10.7808 -5.1471 -5.1471 -0.4725 -0.4725 -0.1167 -0.1167 -0.0043 -0.0043 0.1084 0.1084 0.7709 0.7709 0.8039 0.8039 1.1618 1.1618 1.3781 1.3781 1.6546 1.6546 1.6703 1.6703 1.9626 1.9626 6.7797 6.7797 10.6204 10.6204 12.2990 12.2990 12.9994 12.9994 k = 0.5000 0.3740 0.5696 ( 2924 PWs) bands (ev): -18.7200 -18.7200 -18.6780 -18.6780 -18.5116 -18.5116 -17.9447 -17.9447 -13.5277 -13.5277 -13.2449 -13.2449 -11.1175 -11.1175 -10.9292 -10.9292 -10.7701 -10.7701 -5.1054 -5.1054 -0.4844 -0.4844 -0.1614 -0.1614 -0.0273 -0.0273 0.1163 0.1163 0.7651 0.7651 0.8030 0.8030 1.1597 1.1597 1.3489 1.3489 1.6465 1.6465 1.6641 1.6641 1.9602 1.9602 6.6967 6.6967 10.7035 10.7035 12.3722 12.3722 12.9903 12.9903 k = 0.5000 0.3740 0.5538 ( 2920 PWs) bands (ev): -18.7315 -18.7315 -18.6872 -18.6872 -18.5091 -18.5091 -17.9479 -17.9479 -13.5125 -13.5125 -13.2397 -13.2397 -11.0971 -11.0971 -10.9272 -10.9272 -10.7591 -10.7591 -5.0611 -5.0611 -0.5022 -0.5022 -0.2094 -0.2094 -0.0453 -0.0453 0.1246 0.1246 0.7589 0.7589 0.8023 0.8023 1.1579 1.1579 1.3190 1.3190 1.6321 1.6321 1.6636 1.6636 1.9577 1.9577 6.6138 6.6138 10.7870 10.7870 12.4469 12.4469 12.9815 12.9815 k = 0.5000 0.3740 0.5380 ( 2916 PWs) bands (ev): -18.7434 -18.7434 -18.6966 -18.6966 -18.5066 -18.5066 -17.9512 -17.9512 -13.4970 -13.4970 -13.2344 -13.2344 -11.0758 -11.0758 -10.9252 -10.9252 -10.7477 -10.7477 -5.0143 -5.0143 -0.5285 -0.5285 -0.2543 -0.2543 -0.0617 -0.0617 0.1333 0.1333 0.7522 0.7522 0.8018 0.8018 1.1564 1.1564 1.2887 1.2887 1.6153 1.6153 1.6649 1.6649 1.9551 1.9551 6.5313 6.5313 10.8706 10.8706 12.5228 12.5228 12.9733 12.9733 k = 0.5000 0.3740 0.5222 ( 2924 PWs) bands (ev): -18.7558 -18.7558 -18.7060 -18.7060 -18.5040 -18.5040 -17.9546 -17.9546 -13.4813 -13.4813 -13.2290 -13.2290 -11.0534 -11.0534 -10.9232 -10.9232 -10.7360 -10.7360 -4.9651 -4.9651 -0.5660 -0.5660 -0.2920 -0.2920 -0.0782 -0.0782 0.1421 0.1421 0.7449 0.7449 0.8012 0.8012 1.1552 1.1552 1.2580 1.2580 1.5973 1.5973 1.6670 1.6670 1.9524 1.9524 6.4495 6.4495 10.9538 10.9538 12.5991 12.5991 12.9664 12.9664 k = 0.5000 0.3740 0.5063 ( 2924 PWs) bands (ev): -18.7685 -18.7685 -18.7154 -18.7154 -18.5013 -18.5013 -17.9580 -17.9580 -13.4653 -13.4653 -13.2236 -13.2236 -11.0300 -11.0300 -10.9210 -10.9210 -10.7241 -10.7241 -4.9133 -4.9133 -0.6154 -0.6154 -0.3206 -0.3206 -0.0954 -0.0954 0.1510 0.1510 0.7372 0.7372 0.8008 0.8008 1.1540 1.1540 1.2273 1.2273 1.5785 1.5785 1.6697 1.6697 1.9497 1.9497 6.3686 6.3686 11.0364 11.0364 12.6749 12.6749 12.9617 12.9617 k = 0.5000 0.3740 0.4905 ( 2932 PWs) bands (ev): -18.7815 -18.7815 -18.7249 -18.7249 -18.4986 -18.4986 -17.9616 -17.9616 -13.4492 -13.4492 -13.2182 -13.2182 -11.0058 -11.0058 -10.9189 -10.9189 -10.7120 -10.7120 -4.8591 -4.8591 -0.6750 -0.6750 -0.3413 -0.3413 -0.1138 -0.1138 0.1600 0.1600 0.7291 0.7291 0.8004 0.8004 1.1520 1.1520 1.1974 1.1974 1.5591 1.5591 1.6730 1.6730 1.9469 1.9469 6.2888 6.2888 11.1179 11.1179 12.7479 12.7479 12.9615 12.9615 k = 0.5000 0.3740 0.4747 ( 2936 PWs) bands (ev): -18.7947 -18.7947 -18.7344 -18.7344 -18.4958 -18.4958 -17.9652 -17.9652 -13.4330 -13.4330 -13.2127 -13.2127 -10.9807 -10.9807 -10.9167 -10.9167 -10.6997 -10.6997 -4.8024 -4.8024 -0.7422 -0.7422 -0.3563 -0.3563 -0.1335 -0.1335 0.1689 0.1689 0.7205 0.7205 0.8000 0.8000 1.1444 1.1444 1.1731 1.1731 1.5393 1.5393 1.6768 1.6768 1.9442 1.9442 6.2105 6.2105 11.1977 11.1977 12.8129 12.8129 12.9712 12.9712 k = 0.5000 0.3740 0.4589 ( 2936 PWs) bands (ev): -18.8081 -18.8081 -18.7439 -18.7439 -18.4930 -18.4930 -17.9688 -17.9688 -13.4169 -13.4169 -13.2072 -13.2072 -10.9549 -10.9549 -10.9144 -10.9144 -10.6874 -10.6874 -4.7434 -4.7434 -0.8145 -0.8145 -0.3681 -0.3681 -0.1546 -0.1546 0.1777 0.1777 0.7114 0.7114 0.7997 0.7997 1.1218 1.1218 1.1642 1.1642 1.5192 1.5192 1.6813 1.6813 1.9414 1.9414 6.1338 6.1338 11.2756 11.2756 12.8592 12.8592 13.0018 13.0018 k = 0.5000 0.3740 0.4430 ( 2936 PWs) bands (ev): -18.8216 -18.8216 -18.7534 -18.7534 -18.4902 -18.4902 -17.9725 -17.9725 -13.4007 -13.4007 -13.2018 -13.2018 -10.9288 -10.9288 -10.9116 -10.9116 -10.6750 -10.6750 -4.6819 -4.6819 -0.8902 -0.8902 -0.3783 -0.3783 -0.1769 -0.1769 0.1864 0.1864 0.7020 0.7020 0.7993 0.7993 1.0915 1.0915 1.1631 1.1631 1.4992 1.4992 1.6863 1.6863 1.9386 1.9386 6.0589 6.0589 11.3509 11.3509 12.8824 12.8824 13.0578 13.0578 k = 0.5000 0.3740 0.4272 ( 2932 PWs) bands (ev): -18.8351 -18.8351 -18.7628 -18.7628 -18.4873 -18.4873 -17.9762 -17.9762 -13.3848 -13.3848 -13.1964 -13.1964 -10.9121 -10.9121 -10.8988 -10.8988 -10.6626 -10.6626 -4.6182 -4.6182 -0.9681 -0.9681 -0.3884 -0.3884 -0.2001 -0.2001 0.1948 0.1948 0.6923 0.6923 0.7990 0.7990 1.0596 1.0596 1.1640 1.1640 1.4793 1.4793 1.6919 1.6919 1.9358 1.9358 5.9859 5.9859 11.4232 11.4232 12.8932 12.8932 13.1287 13.1287 k = 0.5000 0.3740 0.4114 ( 2930 PWs) bands (ev): -18.8486 -18.8486 -18.7721 -18.7721 -18.4844 -18.4844 -17.9798 -17.9798 -13.3690 -13.3690 -13.1910 -13.1910 -10.9090 -10.9090 -10.8718 -10.8718 -10.6503 -10.6503 -4.5521 -4.5521 -1.0472 -1.0472 -0.4000 -0.4000 -0.2234 -0.2234 0.2029 0.2029 0.6823 0.6823 0.7986 0.7986 1.0271 1.0271 1.1657 1.1657 1.4597 1.4597 1.6980 1.6980 1.9330 1.9330 5.9150 5.9150 11.4918 11.4918 12.9010 12.9010 13.2057 13.2057 k = 0.5000 0.3740 0.3956 ( 2926 PWs) bands (ev): -18.8620 -18.8620 -18.7813 -18.7813 -18.4816 -18.4816 -17.9835 -17.9835 -13.3534 -13.3534 -13.1858 -13.1858 -10.9066 -10.9066 -10.8435 -10.8435 -10.6381 -10.6381 -4.4838 -4.4838 -1.1269 -1.1269 -0.4145 -0.4145 -0.2459 -0.2459 0.2107 0.2107 0.6721 0.6721 0.7982 0.7982 0.9946 0.9946 1.1680 1.1680 1.4406 1.4406 1.7046 1.7046 1.9302 1.9302 5.8463 5.8463 11.5563 11.5563 12.9095 12.9095 13.2853 13.2853 k = 0.5000 0.3740 0.3798 ( 2926 PWs) bands (ev): -18.8754 -18.8754 -18.7904 -18.7904 -18.4787 -18.4787 -17.9871 -17.9871 -13.3381 -13.3381 -13.1806 -13.1806 -10.9044 -10.9044 -10.8147 -10.8147 -10.6260 -10.6260 -4.4133 -4.4133 -1.2066 -1.2066 -0.4336 -0.4336 -0.2662 -0.2662 0.2182 0.2182 0.6616 0.6616 0.7976 0.7976 0.9622 0.9622 1.1707 1.1707 1.4222 1.4222 1.7117 1.7117 1.9275 1.9275 5.7800 5.7800 11.6160 11.6160 12.9206 12.9206 13.3660 13.3660 k = 0.5000 0.3740 0.3639 ( 2918 PWs) bands (ev): -18.8885 -18.8885 -18.7993 -18.7993 -18.4759 -18.4759 -17.9908 -17.9908 -13.3232 -13.3232 -13.1756 -13.1756 -10.9023 -10.9023 -10.7855 -10.7855 -10.6141 -10.6141 -4.3406 -4.3406 -1.2859 -1.2859 -0.4589 -0.4589 -0.2833 -0.2833 0.2253 0.2253 0.6511 0.6511 0.7970 0.7970 0.9303 0.9303 1.1738 1.1738 1.4045 1.4045 1.7193 1.7193 1.9249 1.9249 5.7162 5.7162 11.6705 11.6705 12.9354 12.9354 13.4472 13.4472 k = 0.5000 0.3740 0.3481 ( 2910 PWs) bands (ev): -18.9015 -18.9015 -18.8080 -18.8080 -18.4731 -18.4731 -17.9943 -17.9943 -13.3087 -13.3087 -13.1707 -13.1707 -10.9002 -10.9002 -10.7561 -10.7561 -10.6023 -10.6023 -4.2659 -4.2659 -1.3645 -1.3645 -0.4910 -0.4910 -0.2966 -0.2966 0.2320 0.2320 0.6405 0.6405 0.7960 0.7960 0.8990 0.8990 1.1771 1.1771 1.3877 1.3877 1.7272 1.7272 1.9223 1.9223 5.6548 5.6548 11.7193 11.7193 12.9545 12.9545 13.5284 13.5284 k = 0.5000 0.3740 0.3323 ( 2914 PWs) bands (ev): -18.9142 -18.9142 -18.8166 -18.8166 -18.4703 -18.4703 -17.9978 -17.9978 -13.2946 -13.2946 -13.1659 -13.1659 -10.8982 -10.8982 -10.7267 -10.7267 -10.5909 -10.5909 -4.1892 -4.1892 -1.4420 -1.4420 -0.5298 -0.5298 -0.3065 -0.3065 0.2383 0.2383 0.6299 0.6299 0.7944 0.7944 0.8689 0.8689 1.1806 1.1806 1.3718 1.3718 1.7356 1.7356 1.9198 1.9198 5.5961 5.5961 11.7621 11.7621 12.9785 12.9785 13.6093 13.6093 k = 0.5000 0.3740 0.3165 ( 2910 PWs) bands (ev): -18.9266 -18.9266 -18.8249 -18.8249 -18.4676 -18.4676 -18.0012 -18.0012 -13.2809 -13.2809 -13.1613 -13.1613 -10.8963 -10.8963 -10.6972 -10.6972 -10.5798 -10.5798 -4.1105 -4.1105 -1.5180 -1.5180 -0.5747 -0.5747 -0.3135 -0.3135 0.2442 0.2442 0.6193 0.6193 0.7911 0.7911 0.8412 0.8412 1.1842 1.1842 1.3569 1.3569 1.7442 1.7442 1.9174 1.9174 5.5400 5.5400 11.7988 11.7988 13.0074 13.0074 13.6898 13.6898 k = 0.5000 0.3740 0.3006 ( 2910 PWs) bands (ev): -18.9387 -18.9387 -18.8329 -18.8329 -18.4650 -18.4650 -18.0046 -18.0046 -13.2678 -13.2678 -13.1569 -13.1569 -10.8944 -10.8944 -10.6679 -10.6679 -10.5690 -10.5690 -4.0300 -4.0300 -1.5923 -1.5923 -0.6250 -0.6250 -0.3186 -0.3186 0.2497 0.2497 0.6089 0.6089 0.7825 0.7825 0.8196 0.8196 1.1880 1.1880 1.3430 1.3430 1.7530 1.7530 1.9152 1.9152 5.4867 5.4867 11.8295 11.8295 13.0414 13.0414 13.7696 13.7696 k = 0.5000 0.3740 0.2848 ( 2904 PWs) bands (ev): -18.9503 -18.9503 -18.8407 -18.8407 -18.4625 -18.4625 -18.0078 -18.0078 -13.2552 -13.2552 -13.1526 -13.1526 -10.8925 -10.8925 -10.6389 -10.6389 -10.5585 -10.5585 -3.9477 -3.9477 -1.6645 -1.6645 -0.6801 -0.6801 -0.3222 -0.3222 0.2548 0.2548 0.5986 0.5986 0.7641 0.7641 0.8088 0.8088 1.1918 1.1918 1.3303 1.3303 1.7620 1.7620 1.9130 1.9130 5.4361 5.4361 11.8545 11.8545 13.0802 13.0802 13.8485 13.8485 k = 0.5000 0.3740 0.2690 ( 2904 PWs) bands (ev): -18.9616 -18.9616 -18.8481 -18.8481 -18.4600 -18.4600 -18.0109 -18.0109 -13.2431 -13.2431 -13.1485 -13.1485 -10.8907 -10.8907 -10.6104 -10.6104 -10.5484 -10.5484 -3.8637 -3.8637 -1.7344 -1.7344 -0.7397 -0.7397 -0.3249 -0.3249 0.2595 0.2595 0.5885 0.5885 0.7399 0.7399 0.8047 0.8047 1.1957 1.1957 1.3186 1.3186 1.7710 1.7710 1.9111 1.9111 5.3883 5.3883 11.8742 11.8742 13.1233 13.1233 13.9264 13.9264 k = 0.5000 0.3740 0.2532 ( 2906 PWs) bands (ev): -18.9724 -18.9724 -18.8552 -18.8552 -18.4576 -18.4576 -18.0140 -18.0140 -13.2316 -13.2316 -13.1446 -13.1446 -10.8890 -10.8890 -10.5824 -10.5824 -10.5388 -10.5388 -3.7781 -3.7781 -1.8018 -1.8018 -0.8034 -0.8034 -0.3268 -0.3268 0.2637 0.2637 0.5786 0.5786 0.7148 0.7148 0.8029 0.8029 1.1995 1.1995 1.3080 1.3080 1.7799 1.7799 1.9093 1.9093 5.3433 5.3433 11.8890 11.8890 13.1703 13.1703 14.0030 14.0030 k = 0.5000 0.3740 0.2373 ( 2894 PWs) bands (ev): -18.9827 -18.9827 -18.8621 -18.8621 -18.4553 -18.4553 -18.0168 -18.0168 -13.2208 -13.2208 -13.1409 -13.1409 -10.8873 -10.8873 -10.5552 -10.5552 -10.5296 -10.5296 -3.6911 -3.6911 -1.8664 -1.8664 -0.8708 -0.8708 -0.3282 -0.3282 0.2676 0.2676 0.5691 0.5691 0.6901 0.6901 0.8019 0.8019 1.2032 1.2032 1.2984 1.2984 1.7887 1.7887 1.9077 1.9077 5.3011 5.3011 11.8997 11.8997 13.2206 13.2206 14.0782 14.0782 k = 0.5000 0.3740 0.2215 ( 2898 PWs) bands (ev): -18.9925 -18.9925 -18.8685 -18.8685 -18.4531 -18.4531 -18.0196 -18.0196 -13.2106 -13.2106 -13.1375 -13.1375 -10.8858 -10.8858 -10.5290 -10.5290 -10.5208 -10.5208 -3.6028 -3.6028 -1.9278 -1.9278 -0.9417 -0.9417 -0.3292 -0.3292 0.2711 0.2711 0.5599 0.5599 0.6665 0.6665 0.8013 0.8013 1.2068 1.2068 1.2898 1.2898 1.7973 1.7973 1.9064 1.9064 5.2617 5.2617 11.9068 11.9068 13.2735 13.2735 14.1516 14.1516 k = 0.5000 0.3740 0.2057 ( 2902 PWs) bands (ev): -19.0018 -19.0018 -18.8746 -18.8746 -18.4510 -18.4510 -18.0222 -18.0222 -13.2010 -13.2010 -13.1342 -13.1342 -10.8843 -10.8843 -10.5130 -10.5130 -10.5031 -10.5031 -3.5134 -3.5134 -1.9859 -1.9859 -1.0158 -1.0158 -0.3300 -0.3300 0.2743 0.2743 0.5511 0.5511 0.6442 0.6442 0.8009 0.8009 1.2103 1.2103 1.2822 1.2822 1.8055 1.8055 1.9053 1.9053 5.2251 5.2251 11.9110 11.9110 13.3283 13.3283 14.2230 14.2230 k = 0.5000 0.3740 0.1899 ( 2900 PWs) bands (ev): -19.0104 -19.0104 -18.8803 -18.8803 -18.4491 -18.4491 -18.0246 -18.0246 -13.1921 -13.1921 -13.1312 -13.1312 -10.8830 -10.8830 -10.5052 -10.5052 -10.4791 -10.4791 -3.4229 -3.4229 -2.0403 -2.0403 -1.0930 -1.0930 -0.3306 -0.3306 0.2771 0.2771 0.5427 0.5427 0.6233 0.6233 0.8006 0.8006 1.2135 1.2135 1.2755 1.2755 1.8133 1.8133 1.9046 1.9046 5.1913 5.1913 11.9129 11.9129 13.3844 13.3844 14.2921 14.2921 k = 0.5000 0.3740 0.1741 ( 2906 PWs) bands (ev): -19.0185 -19.0185 -18.8856 -18.8856 -18.4472 -18.4472 -18.0269 -18.0269 -13.1838 -13.1838 -13.1284 -13.1284 -10.8817 -10.8817 -10.4981 -10.4981 -10.4562 -10.4562 -3.3317 -3.3317 -2.0908 -2.0908 -1.1728 -1.1728 -0.3310 -0.3310 0.2796 0.2796 0.5347 0.5347 0.6040 0.6040 0.8003 0.8003 1.2165 1.2165 1.2697 1.2697 1.8204 1.8204 1.9042 1.9042 5.1603 5.1603 11.9129 11.9129 13.4411 13.4411 14.3584 14.3584 k = 0.5000 0.3740 0.1582 ( 2902 PWs) bands (ev): -19.0260 -19.0260 -18.8904 -18.8904 -18.4455 -18.4455 -18.0290 -18.0290 -13.1763 -13.1763 -13.1258 -13.1258 -10.8805 -10.8805 -10.4915 -10.4915 -10.4347 -10.4347 -3.2401 -3.2401 -2.1371 -2.1371 -1.2552 -1.2552 -0.3313 -0.3313 0.2817 0.2817 0.5271 0.5271 0.5865 0.5865 0.8002 0.8002 1.2192 1.2192 1.2648 1.2648 1.8269 1.8269 1.9041 1.9041 5.1321 5.1321 11.9116 11.9116 13.4977 13.4977 14.4215 14.4215 k = 0.5000 0.3740 0.1424 ( 2902 PWs) bands (ev): -19.0328 -19.0328 -18.8949 -18.8949 -18.4440 -18.4440 -18.0309 -18.0309 -13.1694 -13.1694 -13.1234 -13.1234 -10.8794 -10.8794 -10.4855 -10.4855 -10.4148 -10.4148 -3.1483 -3.1483 -2.1788 -2.1788 -1.3397 -1.3397 -0.3316 -0.3316 0.2837 0.2837 0.5199 0.5199 0.5707 0.5707 0.8000 0.8000 1.2216 1.2216 1.2607 1.2607 1.8327 1.8327 1.9044 1.9044 5.1067 5.1067 11.9093 11.9093 13.5536 13.5536 14.4810 14.4810 k = 0.5000 0.3740 0.1266 ( 2902 PWs) bands (ev): -19.0389 -19.0389 -18.8989 -18.8989 -18.4426 -18.4426 -18.0327 -18.0327 -13.1632 -13.1632 -13.1213 -13.1213 -10.8784 -10.8784 -10.4801 -10.4801 -10.3967 -10.3967 -3.0569 -3.0569 -2.2153 -2.2153 -1.4260 -1.4260 -0.3317 -0.3317 0.2853 0.2853 0.5131 0.5131 0.5568 0.5568 0.7999 0.7999 1.2236 1.2236 1.2574 1.2574 1.8377 1.8377 1.9050 1.9050 5.0840 5.0840 11.9065 11.9065 13.6080 13.6080 14.5362 14.5362 k = 0.5000 0.3740 0.1108 ( 2898 PWs) bands (ev): -19.0444 -19.0444 -18.9024 -18.9024 -18.4413 -18.4413 -18.0342 -18.0342 -13.1578 -13.1578 -13.1194 -13.1194 -10.8776 -10.8776 -10.4753 -10.4753 -10.3803 -10.3803 -2.9667 -2.9667 -2.2461 -2.2461 -1.5139 -1.5139 -0.3319 -0.3319 0.2867 0.2867 0.5067 0.5067 0.5448 0.5448 0.7998 0.7998 1.2251 1.2251 1.2548 1.2548 1.8418 1.8418 1.9060 1.9060 5.0640 5.0640 11.9033 11.9033 13.6600 13.6600 14.5865 14.5865 k = 0.5000 0.3740 0.0949 ( 2898 PWs) bands (ev): -19.0491 -19.0491 -18.9055 -18.9055 -18.4402 -18.4402 -18.0356 -18.0356 -13.1530 -13.1530 -13.1178 -13.1178 -10.8768 -10.8768 -10.4712 -10.4712 -10.3659 -10.3659 -2.8788 -2.8788 -2.2701 -2.2701 -1.6030 -1.6030 -0.3320 -0.3320 0.2878 0.2878 0.5008 0.5008 0.5347 0.5347 0.7998 0.7998 1.2263 1.2263 1.2530 1.2530 1.8452 1.8452 1.9071 1.9071 5.0467 5.0467 11.9001 11.9001 13.7088 13.7088 14.6311 14.6311 k = 0.5000 0.3740 0.0791 ( 2904 PWs) bands (ev): -19.0532 -19.0532 -18.9082 -18.9082 -18.4393 -18.4393 -18.0368 -18.0368 -13.1490 -13.1490 -13.1164 -13.1164 -10.8762 -10.8762 -10.4676 -10.4676 -10.3535 -10.3535 -2.7951 -2.7951 -2.2858 -2.2858 -1.6927 -1.6927 -0.3321 -0.3321 0.2888 0.2888 0.4953 0.4953 0.5266 0.5266 0.7997 0.7997 1.2270 1.2270 1.2517 1.2517 1.8478 1.8478 1.9084 1.9084 5.0321 5.0321 11.8970 11.8970 13.7532 13.7532 14.6695 14.6695 k = 0.5000 0.3740 0.0633 ( 2900 PWs) bands (ev): -19.0565 -19.0565 -18.9104 -18.9104 -18.4386 -18.4386 -18.0377 -18.0377 -13.1458 -13.1458 -13.1153 -13.1153 -10.8756 -10.8756 -10.4647 -10.4647 -10.3433 -10.3433 -2.7188 -2.7188 -2.2903 -2.2903 -1.7824 -1.7824 -0.3321 -0.3321 0.2895 0.2895 0.4905 0.4905 0.5203 0.5203 0.7997 0.7997 1.2274 1.2274 1.2509 1.2509 1.8498 1.8498 1.9097 1.9097 5.0202 5.0202 11.8943 11.8943 13.7922 13.7922 14.7010 14.7010 k = 0.5000 0.3740 0.0475 ( 2898 PWs) bands (ev): -19.0591 -19.0591 -18.9120 -18.9120 -18.4380 -18.4380 -18.0384 -18.0384 -13.1432 -13.1432 -13.1144 -13.1144 -10.8752 -10.8752 -10.4624 -10.4624 -10.3352 -10.3352 -2.6545 -2.6545 -2.2799 -2.2799 -1.8713 -1.8713 -0.3322 -0.3322 0.2901 0.2901 0.4866 0.4866 0.5156 0.5156 0.7996 0.7996 1.2276 1.2276 1.2505 1.2505 1.8513 1.8513 1.9108 1.9108 5.0109 5.0109 11.8921 11.8921 13.8245 13.8245 14.7252 14.7252 k = 0.5000 0.3740 0.0316 ( 2906 PWs) bands (ev): -19.0610 -19.0610 -18.9133 -18.9133 -18.4375 -18.4375 -18.0390 -18.0390 -13.1414 -13.1414 -13.1138 -13.1138 -10.8749 -10.8749 -10.4608 -10.4608 -10.3294 -10.3294 -2.6075 -2.6075 -2.2506 -2.2506 -1.9577 -1.9577 -0.3322 -0.3322 0.2905 0.2905 0.4835 0.4835 0.5123 0.5123 0.7996 0.7996 1.2276 1.2276 1.2503 1.2503 1.8522 1.8522 1.9117 1.9117 5.0043 5.0043 11.8904 11.8904 13.8487 13.8487 14.7421 14.7421 k = 0.5000 0.3740 0.0158 ( 2906 PWs) bands (ev): -19.0621 -19.0621 -18.9140 -18.9140 -18.4373 -18.4373 -18.0393 -18.0393 -13.1403 -13.1403 -13.1134 -13.1134 -10.8748 -10.8748 -10.4598 -10.4598 -10.3259 -10.3259 -2.5804 -2.5804 -2.2038 -2.2038 -2.0378 -2.0378 -0.3322 -0.3322 0.2907 0.2907 0.4817 0.4817 0.5105 0.5105 0.7996 0.7996 1.2276 1.2276 1.2502 1.2502 1.8528 1.8528 1.9123 1.9123 5.0003 5.0003 11.8894 11.8894 13.8637 13.8637 14.7520 14.7520 k = 0.5000 0.3740 0.0000 ( 2902 PWs) bands (ev): -19.0625 -19.0625 -18.9142 -18.9142 -18.4372 -18.4372 -18.0394 -18.0394 -13.1399 -13.1399 -13.1133 -13.1133 -10.8747 -10.8747 -10.4595 -10.4595 -10.3248 -10.3248 -2.5718 -2.5718 -2.1654 -2.1654 -2.0868 -2.0868 -0.3322 -0.3322 0.2908 0.2908 0.4811 0.4811 0.5098 0.5098 0.7996 0.7996 1.2276 1.2276 1.2502 1.2502 1.8530 1.8530 1.9125 1.9125 4.9990 4.9990 11.8890 11.8890 13.8688 13.8688 14.7552 14.7552 k = 0.0000 0.0000 0.8348 ( 2936 PWs) bands (ev): -18.6236 -18.6236 -18.5825 -18.5825 -18.5342 -18.5342 -17.9157 -17.9157 -13.6715 -13.6715 -13.2948 -13.2948 -11.2861 -11.2861 -10.9493 -10.9493 -10.8699 -10.8699 -5.4663 -5.4663 -0.4455 -0.4455 -0.0332 -0.0332 0.0656 0.0656 0.4750 0.4750 0.7973 0.7973 0.8541 0.8541 1.1950 1.1950 1.6609 1.6609 1.7057 1.7057 1.7089 1.7089 1.9833 1.9833 7.6785 7.6785 9.7526 9.7526 11.6316 11.6316 13.0851 13.0851 k = 0.0125 0.0093 0.8348 ( 2930 PWs) bands (ev): -18.6236 -18.6236 -18.5825 -18.5825 -18.5341 -18.5341 -17.9157 -17.9157 -13.6715 -13.6715 -13.2948 -13.2948 -11.2861 -11.2861 -10.9493 -10.9493 -10.8700 -10.8700 -5.4662 -5.4662 -0.4492 -0.4492 -0.0309 -0.0309 0.0680 0.0680 0.4726 0.4726 0.8000 0.8000 0.8542 0.8542 1.1950 1.1950 1.6578 1.6578 1.7045 1.7045 1.7119 1.7119 1.9830 1.9830 7.6785 7.6785 9.7528 9.7528 11.6315 11.6315 13.0848 13.0848 k = 0.0250 0.0187 0.8348 ( 2922 PWs) bands (ev): -18.6236 -18.6236 -18.5825 -18.5825 -18.5341 -18.5341 -17.9157 -17.9157 -13.6714 -13.6714 -13.2948 -13.2948 -11.2861 -11.2861 -10.9491 -10.9491 -10.8700 -10.8700 -5.4660 -5.4660 -0.4599 -0.4599 -0.0245 -0.0245 0.0756 0.0756 0.4656 0.4656 0.8080 0.8080 0.8547 0.8547 1.1950 1.1950 1.6498 1.6498 1.7019 1.7019 1.7186 1.7186 1.9821 1.9821 7.6784 7.6784 9.7533 9.7533 11.6312 11.6312 13.0838 13.0838 k = 0.0375 0.0280 0.8348 ( 2922 PWs) bands (ev): -18.6236 -18.6236 -18.5825 -18.5825 -18.5340 -18.5340 -17.9158 -17.9158 -13.6714 -13.6714 -13.2948 -13.2948 -11.2861 -11.2861 -10.9490 -10.9490 -10.8702 -10.8702 -5.4658 -5.4658 -0.4765 -0.4765 -0.0159 -0.0159 0.0889 0.0889 0.4547 0.4547 0.8200 0.8200 0.8560 0.8560 1.1950 1.1950 1.6389 1.6389 1.6980 1.6980 1.7268 1.7268 1.9806 1.9806 7.6784 7.6784 9.7542 9.7542 11.6307 11.6307 13.0823 13.0823 k = 0.0500 0.0374 0.8348 ( 2918 PWs) bands (ev): -18.6235 -18.6235 -18.5825 -18.5825 -18.5339 -18.5339 -17.9159 -17.9159 -13.6714 -13.6714 -13.2948 -13.2948 -11.2860 -11.2860 -10.9487 -10.9487 -10.8704 -10.8704 -5.4654 -5.4654 -0.4972 -0.4972 -0.0068 -0.0068 0.1081 0.1081 0.4407 0.4407 0.8338 0.8338 0.8595 0.8595 1.1950 1.1950 1.6262 1.6262 1.6928 1.6928 1.7357 1.7357 1.9785 1.9785 7.6784 7.6784 9.7553 9.7553 11.6300 11.6300 13.0802 13.0802 k = 0.0625 0.0467 0.8348 ( 2916 PWs) bands (ev): -18.6235 -18.6235 -18.5825 -18.5825 -18.5339 -18.5339 -17.9160 -17.9160 -13.6714 -13.6714 -13.2948 -13.2948 -11.2860 -11.2860 -10.9484 -10.9484 -10.8707 -10.8707 -5.4650 -5.4650 -0.5208 -0.5208 0.0018 0.0018 0.1326 0.1326 0.4245 0.4245 0.8440 0.8440 0.8698 0.8698 1.1950 1.1950 1.6120 1.6120 1.6862 1.6862 1.7449 1.7449 1.9759 1.9759 7.6783 7.6783 9.7568 9.7568 11.6291 11.6291 13.0776 13.0776 k = 0.0750 0.0561 0.8348 ( 2920 PWs) bands (ev): -18.6235 -18.6235 -18.5825 -18.5825 -18.5337 -18.5337 -17.9162 -17.9162 -13.6714 -13.6714 -13.2948 -13.2948 -11.2860 -11.2860 -10.9481 -10.9481 -10.8710 -10.8710 -5.4645 -5.4645 -0.5459 -0.5459 0.0097 0.0097 0.1612 0.1612 0.4067 0.4067 0.8480 0.8480 0.8887 0.8887 1.1950 1.1950 1.5968 1.5968 1.6783 1.6783 1.7541 1.7541 1.9726 1.9726 7.6783 7.6783 9.7585 9.7585 11.6281 11.6281 13.0746 13.0746 k = 0.0875 0.0654 0.8348 ( 2924 PWs) bands (ev): -18.6235 -18.6235 -18.5826 -18.5826 -18.5336 -18.5336 -17.9164 -17.9164 -13.6713 -13.6713 -13.2947 -13.2947 -11.2860 -11.2860 -10.9477 -10.9477 -10.8713 -10.8713 -5.4639 -5.4639 -0.5717 -0.5717 0.0172 0.0172 0.1926 0.1926 0.3880 0.3880 0.8496 0.8496 0.9120 0.9120 1.1950 1.1950 1.5804 1.5804 1.6692 1.6692 1.7633 1.7633 1.9688 1.9688 7.6782 7.6782 9.7604 9.7604 11.6270 11.6270 13.0713 13.0713 k = 0.1000 0.0748 0.8348 ( 2936 PWs) bands (ev): -18.6235 -18.6235 -18.5826 -18.5826 -18.5335 -18.5335 -17.9166 -17.9166 -13.6713 -13.6713 -13.2948 -13.2948 -11.2860 -11.2860 -10.9473 -10.9473 -10.8717 -10.8717 -5.4633 -5.4633 -0.5973 -0.5973 0.0246 0.0246 0.2255 0.2255 0.3687 0.3687 0.8504 0.8504 0.9374 0.9374 1.1950 1.1950 1.5631 1.5631 1.6592 1.6592 1.7725 1.7725 1.9645 1.9645 7.6781 7.6781 9.7624 9.7624 11.6257 11.6257 13.0676 13.0676 k = 0.1125 0.0841 0.8348 ( 2940 PWs) bands (ev): -18.6234 -18.6234 -18.5826 -18.5826 -18.5334 -18.5334 -17.9168 -17.9168 -13.6713 -13.6713 -13.2948 -13.2948 -11.2859 -11.2859 -10.9468 -10.9468 -10.8722 -10.8722 -5.4627 -5.4627 -0.6223 -0.6223 0.0322 0.0322 0.2590 0.2590 0.3492 0.3492 0.8510 0.8510 0.9642 0.9642 1.1950 1.1950 1.5447 1.5447 1.6483 1.6483 1.7817 1.7817 1.9597 1.9597 7.6780 7.6780 9.7646 9.7646 11.6244 11.6244 13.0638 13.0638 k = 0.1250 0.0935 0.8348 ( 2932 PWs) bands (ev): -18.6234 -18.6234 -18.5826 -18.5826 -18.5332 -18.5332 -17.9169 -17.9169 -13.6712 -13.6712 -13.2947 -13.2947 -11.2859 -11.2859 -10.9463 -10.9463 -10.8726 -10.8726 -5.4620 -5.4620 -0.6462 -0.6462 0.0401 0.0401 0.2915 0.2915 0.3306 0.3306 0.8515 0.8515 0.9920 0.9920 1.1950 1.1950 1.5254 1.5254 1.6369 1.6369 1.7908 1.7908 1.9544 1.9544 7.6780 7.6780 9.7668 9.7668 11.6231 11.6231 13.0599 13.0599 k = 0.1375 0.1028 0.8348 ( 2920 PWs) bands (ev): -18.6234 -18.6234 -18.5827 -18.5827 -18.5331 -18.5331 -17.9171 -17.9171 -13.6712 -13.6712 -13.2947 -13.2947 -11.2859 -11.2859 -10.9458 -10.9458 -10.8730 -10.8730 -5.4614 -5.4614 -0.6685 -0.6685 0.0485 0.0485 0.3055 0.3055 0.3298 0.3298 0.8519 0.8519 1.0204 1.0204 1.1951 1.1951 1.5051 1.5051 1.6252 1.6252 1.7999 1.7999 1.9486 1.9486 7.6779 7.6779 9.7691 9.7691 11.6218 11.6218 13.0561 13.0561 k = 0.1500 0.1122 0.8348 ( 2924 PWs) bands (ev): -18.6233 -18.6233 -18.5827 -18.5827 -18.5329 -18.5329 -17.9173 -17.9173 -13.6712 -13.6712 -13.2947 -13.2947 -11.2858 -11.2858 -10.9453 -10.9453 -10.8735 -10.8735 -5.4607 -5.4607 -0.6892 -0.6892 0.0574 0.0574 0.2886 0.2886 0.3586 0.3586 0.8523 0.8523 1.0492 1.0492 1.1951 1.1951 1.4839 1.4839 1.6133 1.6133 1.8090 1.8090 1.9425 1.9425 7.6778 7.6778 9.7713 9.7713 11.6204 11.6204 13.0523 13.0523 k = 0.1625 0.1215 0.8348 ( 2934 PWs) bands (ev): -18.6233 -18.6233 -18.5827 -18.5827 -18.5328 -18.5328 -17.9175 -17.9175 -13.6711 -13.6711 -13.2947 -13.2947 -11.2858 -11.2858 -10.9449 -10.9449 -10.8739 -10.8739 -5.4601 -5.4601 -0.7078 -0.7078 0.0669 0.0669 0.2700 0.2700 0.3874 0.3874 0.8526 0.8526 1.0782 1.0782 1.1952 1.1952 1.4617 1.4617 1.6016 1.6016 1.8180 1.8180 1.9359 1.9359 7.6777 7.6777 9.7733 9.7733 11.6192 11.6192 13.0487 13.0487 k = 0.1750 0.1309 0.8348 ( 2934 PWs) bands (ev): -18.6233 -18.6233 -18.5828 -18.5828 -18.5327 -18.5327 -17.9177 -17.9177 -13.6711 -13.6711 -13.2947 -13.2947 -11.2858 -11.2858 -10.9444 -10.9444 -10.8743 -10.8743 -5.4596 -5.4596 -0.7243 -0.7243 0.0770 0.0770 0.2517 0.2517 0.4139 0.4139 0.8530 0.8530 1.1072 1.1072 1.1954 1.1954 1.4387 1.4387 1.5905 1.5905 1.8270 1.8270 1.9290 1.9290 7.6777 7.6777 9.7753 9.7753 11.6180 11.6180 13.0455 13.0455 k = 0.1875 0.1402 0.8348 ( 2934 PWs) bands (ev): -18.6233 -18.6233 -18.5828 -18.5828 -18.5325 -18.5325 -17.9179 -17.9179 -13.6711 -13.6711 -13.2947 -13.2947 -11.2858 -11.2858 -10.9441 -10.9441 -10.8747 -10.8747 -5.4591 -5.4591 -0.7385 -0.7385 0.0878 0.0878 0.2338 0.2338 0.4373 0.4373 0.8534 0.8534 1.1360 1.1360 1.1959 1.1959 1.4149 1.4149 1.5802 1.5802 1.8360 1.8360 1.9217 1.9217 7.6776 7.6776 9.7770 9.7770 11.6170 11.6170 13.0426 13.0426 k = 0.2000 0.1496 0.8348 ( 2930 PWs) bands (ev): -18.6233 -18.6233 -18.5828 -18.5828 -18.5324 -18.5324 -17.9180 -17.9180 -13.6711 -13.6711 -13.2946 -13.2946 -11.2858 -11.2858 -10.9437 -10.9437 -10.8749 -10.8749 -5.4586 -5.4586 -0.7503 -0.7503 0.0992 0.0992 0.2164 0.2164 0.4573 0.4573 0.8537 0.8537 1.1637 1.1637 1.1973 1.1973 1.3903 1.3903 1.5712 1.5712 1.8449 1.8449 1.9142 1.9142 7.6775 7.6775 9.7784 9.7784 11.6161 11.6161 13.0401 13.0401 k = 0.2125 0.1589 0.8348 ( 2932 PWs) bands (ev): -18.6232 -18.6232 -18.5828 -18.5828 -18.5324 -18.5324 -17.9181 -17.9181 -13.6710 -13.6710 -13.2946 -13.2946 -11.2857 -11.2857 -10.9434 -10.9434 -10.8752 -10.8752 -5.4583 -5.4583 -0.7595 -0.7595 0.1112 0.1112 0.1997 0.1997 0.4733 0.4733 0.8540 0.8540 1.1852 1.1852 1.2046 1.2046 1.3651 1.3651 1.5638 1.5638 1.8537 1.8537 1.9065 1.9065 7.6775 7.6775 9.7796 9.7796 11.6154 11.6154 13.0381 13.0381 k = 0.2250 0.1683 0.8348 ( 2932 PWs) bands (ev): -18.6232 -18.6232 -18.5828 -18.5828 -18.5323 -18.5323 -17.9182 -17.9182 -13.6710 -13.6710 -13.2946 -13.2946 -11.2857 -11.2857 -10.9432 -10.9432 -10.8754 -10.8754 -5.4580 -5.4580 -0.7662 -0.7662 0.1238 0.1238 0.1837 0.1837 0.4850 0.4850 0.8542 0.8542 1.1912 1.1912 1.2267 1.2267 1.3395 1.3395 1.5583 1.5583 1.8622 1.8622 1.8987 1.8987 7.6775 7.6775 9.7805 9.7805 11.6149 11.6149 13.0367 13.0367 k = 0.2375 0.1776 0.8348 ( 2936 PWs) bands (ev): -18.6232 -18.6232 -18.5828 -18.5828 -18.5323 -18.5323 -17.9182 -17.9182 -13.6710 -13.6710 -13.2946 -13.2946 -11.2857 -11.2857 -10.9431 -10.9431 -10.8755 -10.8755 -5.4579 -5.4579 -0.7702 -0.7702 0.1366 0.1366 0.1689 0.1689 0.4922 0.4922 0.8544 0.8544 1.1923 1.1923 1.2523 1.2523 1.3144 1.3144 1.5549 1.5549 1.8701 1.8701 1.8913 1.8913 7.6774 7.6774 9.7810 9.7810 11.6146 11.6146 13.0358 13.0358 k = 0.2500 0.1870 0.8348 ( 2940 PWs) bands (ev): -18.6232 -18.6232 -18.5828 -18.5828 -18.5323 -18.5323 -17.9182 -17.9182 -13.6710 -13.6710 -13.2946 -13.2946 -11.2857 -11.2857 -10.9431 -10.9431 -10.8755 -10.8755 -5.4578 -5.4578 -0.7716 -0.7716 0.1455 0.1455 0.1593 0.1593 0.4946 0.4946 0.8544 0.8544 1.1925 1.1925 1.2689 1.2689 1.2980 1.2980 1.5537 1.5537 1.8745 1.8745 1.8870 1.8870 7.6774 7.6774 9.7812 9.7812 11.6145 11.6145 13.0355 13.0355 Writing output data file PbF4.save init_run : 0.23s CPU 0.45s WALL ( 1 calls) electrons : 114.21s CPU 116.15s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.08s WALL ( 1 calls) potinit : 0.01s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 114.20s CPU 116.14s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.03s CPU 0.04s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.04s WALL ( 364 calls) cegterg : 103.61s CPU 104.85s WALL ( 377 calls) Called by sum_band: Called by *egterg: h_psi : 74.36s CPU 75.36s WALL ( 5233 calls) s_psi : 1.58s CPU 1.72s WALL ( 5233 calls) g_psi : 0.14s CPU 0.12s WALL ( 4492 calls) cdiaghg : 27.99s CPU 28.17s WALL ( 4856 calls) cegterg:over : 3.36s CPU 3.44s WALL ( 4492 calls) cegterg:upda : 2.06s CPU 2.14s WALL ( 4492 calls) cegterg:last : 1.93s CPU 1.90s WALL ( 1105 calls) cdiaghg:chol : 1.56s CPU 1.55s WALL ( 4856 calls) cdiaghg:inve : 0.99s CPU 0.94s WALL ( 4856 calls) cdiaghg:para : 1.72s CPU 1.75s WALL ( 9712 calls) Called by h_psi: h_psi:vloc : 69.77s CPU 70.75s WALL ( 5233 calls) h_psi:vnl : 4.47s CPU 4.49s WALL ( 5233 calls) add_vuspsi : 2.14s CPU 2.10s WALL ( 5233 calls) General routines calbec : 2.32s CPU 2.38s WALL ( 5233 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 66.07s CPU 66.92s WALL ( 644508 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.13s CPU 0.16s WALL ( 728 calls) Parallel routines fft_scatter : 21.76s CPU 22.27s WALL ( 644531 calls) PWSCF : 2m 9.08s CPU 2m36.12s WALL This run was terminated on: 17:56:38 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=