Program PWSCF v.5.4.0 starts on 20Mar2017 at 20:48:36 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI & OpenMP), running on 144 processor cores Number of MPI processes: 72 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 72 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: ./BH2S3N3F4.save/ file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized file B.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 50 31 8 3449 1657 240 Max 51 32 9 3459 1678 248 Sum 3655 2261 631 248793 120099 17591 bravais-lattice index = 14 lattice parameter (alat) = 10.2896 a.u. unit-cell volume = 2514.4353 (a.u.)^3 number of atoms/cell = 13 number of atomic types = 5 number of electrons = 66.00 number of Kohn-Sham states= 80 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 325.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.289558 celldm(2)= 1.349128 celldm(3)= 1.739761 celldm(4)= 0.071672 celldm(5)= 0.105917 celldm(6)= 0.136926 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.184731 1.336421 0.000000 ) a(3) = ( 0.184270 0.100406 1.727059 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.138228 -0.098660 ) b(2) = ( 0.000000 0.748267 -0.043502 ) b(3) = ( 0.000000 0.000000 0.579019 ) PseudoPot. # 1 for S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for 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. # 4 for B read from file: /users/gautes/Pseudo/B.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e6935728e521ae6844adca162131706c Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1059 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. # 5 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 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 atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) H 1.00 1.00790 H( 1.00) F 7.00 18.99840 F( 1.00) B 3.00 10.81100 B( 1.00) N 5.00 14.00670 N( 1.00) No symmetry 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 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E Cartesian axes number of k points= 208 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.5000000 -0.0691139 -0.0493299), wk = 0.0048077 k( 2) = ( 0.4833333 -0.0668101 -0.0476856), wk = 0.0048077 k( 3) = ( 0.4666667 -0.0645063 -0.0460413), wk = 0.0048077 k( 4) = ( 0.4500000 -0.0622025 -0.0443969), wk = 0.0048077 k( 5) = ( 0.4333333 -0.0598987 -0.0427526), wk = 0.0048077 k( 6) = ( 0.4166667 -0.0575949 -0.0411083), wk = 0.0048077 k( 7) = ( 0.4000000 -0.0552911 -0.0394639), wk = 0.0048077 k( 8) = ( 0.3833333 -0.0529873 -0.0378196), wk = 0.0048077 k( 9) = ( 0.3666667 -0.0506835 -0.0361753), wk = 0.0048077 k( 10) = ( 0.3500000 -0.0483797 -0.0345310), wk = 0.0048077 k( 11) = ( 0.3333333 -0.0460759 -0.0328866), wk = 0.0048077 k( 12) = ( 0.3166667 -0.0437721 -0.0312423), wk = 0.0048077 k( 13) = ( 0.3000000 -0.0414683 -0.0295980), wk = 0.0048077 k( 14) = ( 0.2833333 -0.0391645 -0.0279536), wk = 0.0048077 k( 15) = ( 0.2666667 -0.0368608 -0.0263093), wk = 0.0048077 k( 16) = ( 0.2500000 -0.0345570 -0.0246650), wk = 0.0048077 k( 17) = ( 0.2333333 -0.0322532 -0.0230206), wk = 0.0048077 k( 18) = ( 0.2166667 -0.0299494 -0.0213763), wk = 0.0048077 k( 19) = ( 0.2000000 -0.0276456 -0.0197320), wk = 0.0048077 k( 20) = ( 0.1833333 -0.0253418 -0.0180876), wk = 0.0048077 k( 21) = ( 0.1666667 -0.0230380 -0.0164433), wk = 0.0048077 k( 22) = ( 0.1500000 -0.0207342 -0.0147990), wk = 0.0048077 k( 23) = ( 0.1333333 -0.0184304 -0.0131546), wk = 0.0048077 k( 24) = ( 0.1166667 -0.0161266 -0.0115103), wk = 0.0048077 k( 25) = ( 0.1000000 -0.0138228 -0.0098660), wk = 0.0048077 k( 26) = ( 0.0833333 -0.0115190 -0.0082217), wk = 0.0048077 k( 27) = ( 0.0666667 -0.0092152 -0.0065773), wk = 0.0048077 k( 28) = ( 0.0500000 -0.0069114 -0.0049330), wk = 0.0048077 k( 29) = ( 0.0333333 -0.0046076 -0.0032887), wk = 0.0048077 k( 30) = ( 0.0166667 -0.0023038 -0.0016443), wk = 0.0048077 k( 31) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0048077 k( 32) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0048077 k( 33) = ( 0.0000000 0.0170061 -0.0009887), wk = 0.0048077 k( 34) = ( 0.0000000 0.0340122 -0.0019774), wk = 0.0048077 k( 35) = ( 0.0000000 0.0510182 -0.0029660), wk = 0.0048077 k( 36) = ( 0.0000000 0.0680243 -0.0039547), wk = 0.0048077 k( 37) = ( 0.0000000 0.0850304 -0.0049434), wk = 0.0048077 k( 38) = ( 0.0000000 0.1020365 -0.0059321), wk = 0.0048077 k( 39) = ( 0.0000000 0.1190425 -0.0069208), wk = 0.0048077 k( 40) = ( 0.0000000 0.1360486 -0.0079094), wk = 0.0048077 k( 41) = ( 0.0000000 0.1530547 -0.0088981), wk = 0.0048077 k( 42) = ( 0.0000000 0.1700608 -0.0098868), wk = 0.0048077 k( 43) = ( 0.0000000 0.1870669 -0.0108755), wk = 0.0048077 k( 44) = ( 0.0000000 0.2040729 -0.0118641), wk = 0.0048077 k( 45) = ( 0.0000000 0.2210790 -0.0128528), wk = 0.0048077 k( 46) = ( 0.0000000 0.2380851 -0.0138415), wk = 0.0048077 k( 47) = ( 0.0000000 0.2550912 -0.0148302), wk = 0.0048077 k( 48) = ( 0.0000000 0.2720972 -0.0158189), wk = 0.0048077 k( 49) = ( 0.0000000 0.2891033 -0.0168075), wk = 0.0048077 k( 50) = ( 0.0000000 0.3061094 -0.0177962), wk = 0.0048077 k( 51) = ( 0.0000000 0.3231155 -0.0187849), wk = 0.0048077 k( 52) = ( 0.0000000 0.3401216 -0.0197736), wk = 0.0048077 k( 53) = ( 0.0000000 0.3571276 -0.0207623), wk = 0.0048077 k( 54) = ( 0.0000000 0.3741337 -0.0217509), wk = 0.0048077 k( 55) = ( 0.5000000 0.3050198 -0.0710809), wk = 0.0048077 k( 56) = ( 0.4857143 0.2963050 -0.0690500), wk = 0.0048077 k( 57) = ( 0.4714286 0.2875901 -0.0670191), wk = 0.0048077 k( 58) = ( 0.4571429 0.2788752 -0.0649882), wk = 0.0048077 k( 59) = ( 0.4428571 0.2701604 -0.0629573), wk = 0.0048077 k( 60) = ( 0.4285714 0.2614455 -0.0609265), wk = 0.0048077 k( 61) = ( 0.4142857 0.2527307 -0.0588956), wk = 0.0048077 k( 62) = ( 0.4000000 0.2440158 -0.0568647), wk = 0.0048077 k( 63) = ( 0.3857143 0.2353010 -0.0548338), wk = 0.0048077 k( 64) = ( 0.3714286 0.2265861 -0.0528029), wk = 0.0048077 k( 65) = ( 0.3571429 0.2178713 -0.0507720), wk = 0.0048077 k( 66) = ( 0.3428571 0.2091564 -0.0487412), wk = 0.0048077 k( 67) = ( 0.3285714 0.2004416 -0.0467103), wk = 0.0048077 k( 68) = ( 0.3142857 0.1917267 -0.0446794), wk = 0.0048077 k( 69) = ( 0.3000000 0.1830119 -0.0426485), wk = 0.0048077 k( 70) = ( 0.2857143 0.1742970 -0.0406176), wk = 0.0048077 k( 71) = ( 0.2714286 0.1655822 -0.0385868), wk = 0.0048077 k( 72) = ( 0.2571429 0.1568673 -0.0365559), wk = 0.0048077 k( 73) = ( 0.2428571 0.1481525 -0.0345250), wk = 0.0048077 k( 74) = ( 0.2285714 0.1394376 -0.0324941), wk = 0.0048077 k( 75) = ( 0.2142857 0.1307228 -0.0304632), wk = 0.0048077 k( 76) = ( 0.2000000 0.1220079 -0.0284323), wk = 0.0048077 k( 77) = ( 0.1857143 0.1132931 -0.0264015), wk = 0.0048077 k( 78) = ( 0.1714286 0.1045782 -0.0243706), wk = 0.0048077 k( 79) = ( 0.1571429 0.0958634 -0.0223397), wk = 0.0048077 k( 80) = ( 0.1428571 0.0871485 -0.0203088), wk = 0.0048077 k( 81) = ( 0.1285714 0.0784337 -0.0182779), wk = 0.0048077 k( 82) = ( 0.1142857 0.0697188 -0.0162471), wk = 0.0048077 k( 83) = ( 0.1000000 0.0610040 -0.0142162), wk = 0.0048077 k( 84) = ( 0.0857143 0.0522891 -0.0121853), wk = 0.0048077 k( 85) = ( 0.0714286 0.0435743 -0.0101544), wk = 0.0048077 k( 86) = ( 0.0571429 0.0348594 -0.0081235), wk = 0.0048077 k( 87) = ( 0.0428571 0.0261446 -0.0060926), wk = 0.0048077 k( 88) = ( 0.0285714 0.0174297 -0.0040618), wk = 0.0048077 k( 89) = ( 0.0142857 0.0087148 -0.0020309), wk = 0.0048077 k( 90) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0048077 k( 91) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0048077 k( 92) = ( 0.0000000 0.0000000 0.0170300), wk = 0.0048077 k( 93) = ( 0.0000000 0.0000000 0.0340599), wk = 0.0048077 k( 94) = ( 0.0000000 0.0000000 0.0510899), wk = 0.0048077 k( 95) = ( 0.0000000 0.0000000 0.0681199), wk = 0.0048077 k( 96) = ( 0.0000000 0.0000000 0.0851499), wk = 0.0048077 k( 97) = ( 0.0000000 0.0000000 0.1021798), wk = 0.0048077 k( 98) = ( 0.0000000 0.0000000 0.1192098), wk = 0.0048077 k( 99) = ( 0.0000000 0.0000000 0.1362398), wk = 0.0048077 k( 100) = ( 0.0000000 0.0000000 0.1532697), wk = 0.0048077 k( 101) = ( 0.0000000 0.0000000 0.1702997), wk = 0.0048077 k( 102) = ( 0.0000000 0.0000000 0.1873297), wk = 0.0048077 k( 103) = ( 0.0000000 0.0000000 0.2043597), wk = 0.0048077 k( 104) = ( 0.0000000 0.0000000 0.2213896), wk = 0.0048077 k( 105) = ( 0.0000000 0.0000000 0.2384196), wk = 0.0048077 k( 106) = ( 0.0000000 0.0000000 0.2554496), wk = 0.0048077 k( 107) = ( 0.0000000 0.0000000 0.2724796), wk = 0.0048077 k( 108) = ( 0.0000000 0.0000000 0.2895095), wk = 0.0048077 k( 109) = ( 0.5000000 -0.0691139 0.2401796), wk = 0.0048077 k( 110) = ( 0.4848485 -0.0670196 0.2329014), wk = 0.0048077 k( 111) = ( 0.4696970 -0.0649252 0.2256233), wk = 0.0048077 k( 112) = ( 0.4545455 -0.0628308 0.2183451), wk = 0.0048077 k( 113) = ( 0.4393939 -0.0607365 0.2110669), wk = 0.0048077 k( 114) = ( 0.4242424 -0.0586421 0.2037887), wk = 0.0048077 k( 115) = ( 0.4090909 -0.0565477 0.1965106), wk = 0.0048077 k( 116) = ( 0.3939394 -0.0544534 0.1892324), wk = 0.0048077 k( 117) = ( 0.3787879 -0.0523590 0.1819542), wk = 0.0048077 k( 118) = ( 0.3636364 -0.0502647 0.1746761), wk = 0.0048077 k( 119) = ( 0.3484849 -0.0481703 0.1673979), wk = 0.0048077 k( 120) = ( 0.3333333 -0.0460759 0.1601197), wk = 0.0048077 k( 121) = ( 0.3181818 -0.0439816 0.1528416), wk = 0.0048077 k( 122) = ( 0.3030303 -0.0418872 0.1455634), wk = 0.0048077 k( 123) = ( 0.2878788 -0.0397929 0.1382852), wk = 0.0048077 k( 124) = ( 0.2727273 -0.0376985 0.1310071), wk = 0.0048077 k( 125) = ( 0.2575758 -0.0356041 0.1237289), wk = 0.0048077 k( 126) = ( 0.2424242 -0.0335098 0.1164507), wk = 0.0048077 k( 127) = ( 0.2272727 -0.0314154 0.1091725), wk = 0.0048077 k( 128) = ( 0.2121212 -0.0293211 0.1018944), wk = 0.0048077 k( 129) = ( 0.1969697 -0.0272267 0.0946162), wk = 0.0048077 k( 130) = ( 0.1818182 -0.0251323 0.0873380), wk = 0.0048077 k( 131) = ( 0.1666667 -0.0230380 0.0800599), wk = 0.0048077 k( 132) = ( 0.1515151 -0.0209436 0.0727817), wk = 0.0048077 k( 133) = ( 0.1363636 -0.0188492 0.0655035), wk = 0.0048077 k( 134) = ( 0.1212121 -0.0167549 0.0582254), wk = 0.0048077 k( 135) = ( 0.1060606 -0.0146605 0.0509472), wk = 0.0048077 k( 136) = ( 0.0909091 -0.0125662 0.0436690), wk = 0.0048077 k( 137) = ( 0.0757576 -0.0104718 0.0363908), wk = 0.0048077 k( 138) = ( 0.0606061 -0.0083774 0.0291127), wk = 0.0048077 k( 139) = ( 0.0454546 -0.0062831 0.0218345), wk = 0.0048077 k( 140) = ( 0.0303030 -0.0041887 0.0145563), wk = 0.0048077 k( 141) = ( 0.0151515 -0.0020944 0.0072782), wk = 0.0048077 k( 142) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0048077 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0048077 k( 144) = ( 0.0000000 0.0138568 0.0099170), wk = 0.0048077 k( 145) = ( 0.0000000 0.0277136 0.0198340), wk = 0.0048077 k( 146) = ( 0.0000000 0.0415704 0.0297510), wk = 0.0048077 k( 147) = ( 0.0000000 0.0554272 0.0396679), wk = 0.0048077 k( 148) = ( 0.0000000 0.0692840 0.0495849), wk = 0.0048077 k( 149) = ( 0.0000000 0.0831408 0.0595019), wk = 0.0048077 k( 150) = ( 0.0000000 0.0969976 0.0694189), wk = 0.0048077 k( 151) = ( 0.0000000 0.1108544 0.0793359), wk = 0.0048077 k( 152) = ( 0.0000000 0.1247112 0.0892529), wk = 0.0048077 k( 153) = ( 0.0000000 0.1385680 0.0991699), wk = 0.0048077 k( 154) = ( 0.0000000 0.1524248 0.1090868), wk = 0.0048077 k( 155) = ( 0.0000000 0.1662816 0.1190038), wk = 0.0048077 k( 156) = ( 0.0000000 0.1801385 0.1289208), wk = 0.0048077 k( 157) = ( 0.0000000 0.1939953 0.1388378), wk = 0.0048077 k( 158) = ( 0.0000000 0.2078521 0.1487548), wk = 0.0048077 k( 159) = ( 0.0000000 0.2217089 0.1586718), wk = 0.0048077 k( 160) = ( 0.0000000 0.2355657 0.1685887), wk = 0.0048077 k( 161) = ( 0.0000000 0.2494225 0.1785057), wk = 0.0048077 k( 162) = ( 0.0000000 0.2632793 0.1884227), wk = 0.0048077 k( 163) = ( 0.0000000 0.2771361 0.1983397), wk = 0.0048077 k( 164) = ( 0.0000000 0.2909929 0.2082567), wk = 0.0048077 k( 165) = ( 0.0000000 0.3048497 0.2181737), wk = 0.0048077 k( 166) = ( 0.0000000 0.3187065 0.2280907), wk = 0.0048077 k( 167) = ( 0.0000000 0.3325633 0.2380076), wk = 0.0048077 k( 168) = ( 0.0000000 0.3464201 0.2479246), wk = 0.0048077 k( 169) = ( 0.0000000 0.3602769 0.2578416), wk = 0.0048077 k( 170) = ( 0.0000000 0.3741337 0.2677586), wk = 0.0048077 k( 171) = ( 0.5000000 0.3050198 0.2184287), wk = 0.0048077 k( 172) = ( 0.4864865 0.2967760 0.2125252), wk = 0.0048077 k( 173) = ( 0.4729730 0.2885322 0.2066217), wk = 0.0048077 k( 174) = ( 0.4594595 0.2802885 0.2007182), wk = 0.0048077 k( 175) = ( 0.4459459 0.2720447 0.1948148), wk = 0.0048077 k( 176) = ( 0.4324324 0.2638009 0.1889113), wk = 0.0048077 k( 177) = ( 0.4189189 0.2555571 0.1830078), wk = 0.0048077 k( 178) = ( 0.4054054 0.2473134 0.1771043), wk = 0.0048077 k( 179) = ( 0.3918919 0.2390696 0.1712008), wk = 0.0048077 k( 180) = ( 0.3783784 0.2308258 0.1652974), wk = 0.0048077 k( 181) = ( 0.3648649 0.2225820 0.1593939), wk = 0.0048077 k( 182) = ( 0.3513514 0.2143382 0.1534904), wk = 0.0048077 k( 183) = ( 0.3378378 0.2060945 0.1475869), wk = 0.0048077 k( 184) = ( 0.3243243 0.1978507 0.1416835), wk = 0.0048077 k( 185) = ( 0.3108108 0.1896069 0.1357800), wk = 0.0048077 k( 186) = ( 0.2972973 0.1813631 0.1298765), wk = 0.0048077 k( 187) = ( 0.2837838 0.1731193 0.1239730), wk = 0.0048077 k( 188) = ( 0.2702703 0.1648756 0.1180695), wk = 0.0048077 k( 189) = ( 0.2567568 0.1566318 0.1121661), wk = 0.0048077 k( 190) = ( 0.2432432 0.1483880 0.1062626), wk = 0.0048077 k( 191) = ( 0.2297297 0.1401442 0.1003591), wk = 0.0048077 k( 192) = ( 0.2162162 0.1319005 0.0944556), wk = 0.0048077 k( 193) = ( 0.2027027 0.1236567 0.0885522), wk = 0.0048077 k( 194) = ( 0.1891892 0.1154129 0.0826487), wk = 0.0048077 k( 195) = ( 0.1756757 0.1071691 0.0767452), wk = 0.0048077 k( 196) = ( 0.1621622 0.0989253 0.0708417), wk = 0.0048077 k( 197) = ( 0.1486486 0.0906816 0.0649383), wk = 0.0048077 k( 198) = ( 0.1351351 0.0824378 0.0590348), wk = 0.0048077 k( 199) = ( 0.1216216 0.0741940 0.0531313), wk = 0.0048077 k( 200) = ( 0.1081081 0.0659502 0.0472278), wk = 0.0048077 k( 201) = ( 0.0945946 0.0577064 0.0413243), wk = 0.0048077 k( 202) = ( 0.0810811 0.0494627 0.0354209), wk = 0.0048077 k( 203) = ( 0.0675676 0.0412189 0.0295174), wk = 0.0048077 k( 204) = ( 0.0540540 0.0329751 0.0236139), wk = 0.0048077 k( 205) = ( 0.0405405 0.0247313 0.0177104), wk = 0.0048077 k( 206) = ( 0.0270270 0.0164876 0.0118070), wk = 0.0048077 k( 207) = ( 0.0135135 0.0082438 0.0059035), wk = 0.0048077 k( 208) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0048077 cryst. coord. k( 1) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0048077 k( 2) = ( 0.4833333 0.0000000 0.0000000), wk = 0.0048077 k( 3) = ( 0.4666667 0.0000000 0.0000000), wk = 0.0048077 k( 4) = ( 0.4500000 0.0000000 0.0000000), wk = 0.0048077 k( 5) = ( 0.4333333 0.0000000 0.0000000), wk = 0.0048077 k( 6) = ( 0.4166667 0.0000000 0.0000000), wk = 0.0048077 k( 7) = ( 0.4000000 0.0000000 0.0000000), wk = 0.0048077 k( 8) = ( 0.3833333 0.0000000 0.0000000), wk = 0.0048077 k( 9) = ( 0.3666667 0.0000000 0.0000000), wk = 0.0048077 k( 10) = ( 0.3500000 0.0000000 0.0000000), wk = 0.0048077 k( 11) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0048077 k( 12) = ( 0.3166667 0.0000000 0.0000000), wk = 0.0048077 k( 13) = ( 0.3000000 0.0000000 0.0000000), wk = 0.0048077 k( 14) = ( 0.2833333 0.0000000 0.0000000), wk = 0.0048077 k( 15) = ( 0.2666667 0.0000000 0.0000000), wk = 0.0048077 k( 16) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0048077 k( 17) = ( 0.2333333 0.0000000 0.0000000), wk = 0.0048077 k( 18) = ( 0.2166667 0.0000000 0.0000000), wk = 0.0048077 k( 19) = ( 0.2000000 0.0000000 0.0000000), wk = 0.0048077 k( 20) = ( 0.1833333 0.0000000 -0.0000000), wk = 0.0048077 k( 21) = ( 0.1666667 0.0000000 0.0000000), wk = 0.0048077 k( 22) = ( 0.1500000 0.0000000 0.0000000), wk = 0.0048077 k( 23) = ( 0.1333333 0.0000000 0.0000000), wk = 0.0048077 k( 24) = ( 0.1166667 0.0000000 0.0000000), wk = 0.0048077 k( 25) = ( 0.1000000 0.0000000 0.0000000), wk = 0.0048077 k( 26) = ( 0.0833333 0.0000000 0.0000000), wk = 0.0048077 k( 27) = ( 0.0666667 0.0000000 0.0000000), wk = 0.0048077 k( 28) = ( 0.0500000 0.0000000 0.0000000), wk = 0.0048077 k( 29) = ( 0.0333333 0.0000000 0.0000000), wk = 0.0048077 k( 30) = ( 0.0166667 0.0000000 0.0000000), wk = 0.0048077 k( 31) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0048077 k( 32) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0048077 k( 33) = ( 0.0000000 0.0227273 0.0000000), wk = 0.0048077 k( 34) = ( 0.0000000 0.0454546 -0.0000000), wk = 0.0048077 k( 35) = ( 0.0000000 0.0681818 -0.0000000), wk = 0.0048077 k( 36) = ( 0.0000000 0.0909091 -0.0000000), wk = 0.0048077 k( 37) = ( 0.0000000 0.1136364 0.0000000), wk = 0.0048077 k( 38) = ( 0.0000000 0.1363636 -0.0000000), wk = 0.0048077 k( 39) = ( 0.0000000 0.1590909 0.0000000), wk = 0.0048077 k( 40) = ( 0.0000000 0.1818182 -0.0000000), wk = 0.0048077 k( 41) = ( 0.0000000 0.2045454 -0.0000000), wk = 0.0048077 k( 42) = ( 0.0000000 0.2272727 0.0000000), wk = 0.0048077 k( 43) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0048077 k( 44) = ( 0.0000000 0.2727273 0.0000000), wk = 0.0048077 k( 45) = ( 0.0000000 0.2954545 0.0000000), wk = 0.0048077 k( 46) = ( 0.0000000 0.3181818 0.0000000), wk = 0.0048077 k( 47) = ( 0.0000000 0.3409091 -0.0000000), wk = 0.0048077 k( 48) = ( 0.0000000 0.3636364 -0.0000000), wk = 0.0048077 k( 49) = ( 0.0000000 0.3863636 0.0000000), wk = 0.0048077 k( 50) = ( 0.0000000 0.4090909 0.0000000), wk = 0.0048077 k( 51) = ( 0.0000000 0.4318182 0.0000000), wk = 0.0048077 k( 52) = ( 0.0000000 0.4545454 -0.0000000), wk = 0.0048077 k( 53) = ( 0.0000000 0.4772727 0.0000000), wk = 0.0048077 k( 54) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0048077 k( 55) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0048077 k( 56) = ( 0.4857143 0.4857143 0.0000000), wk = 0.0048077 k( 57) = ( 0.4714286 0.4714286 -0.0000000), wk = 0.0048077 k( 58) = ( 0.4571429 0.4571429 0.0000000), wk = 0.0048077 k( 59) = ( 0.4428571 0.4428571 0.0000000), wk = 0.0048077 k( 60) = ( 0.4285714 0.4285714 0.0000000), wk = 0.0048077 k( 61) = ( 0.4142857 0.4142857 0.0000000), wk = 0.0048077 k( 62) = ( 0.4000000 0.4000000 0.0000000), wk = 0.0048077 k( 63) = ( 0.3857143 0.3857143 0.0000000), wk = 0.0048077 k( 64) = ( 0.3714286 0.3714286 0.0000000), wk = 0.0048077 k( 65) = ( 0.3571429 0.3571429 0.0000000), wk = 0.0048077 k( 66) = ( 0.3428571 0.3428571 0.0000000), wk = 0.0048077 k( 67) = ( 0.3285714 0.3285714 0.0000000), wk = 0.0048077 k( 68) = ( 0.3142857 0.3142857 -0.0000000), wk = 0.0048077 k( 69) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0048077 k( 70) = ( 0.2857143 0.2857143 0.0000000), wk = 0.0048077 k( 71) = ( 0.2714286 0.2714286 0.0000000), wk = 0.0048077 k( 72) = ( 0.2571429 0.2571429 0.0000000), wk = 0.0048077 k( 73) = ( 0.2428571 0.2428571 0.0000000), wk = 0.0048077 k( 74) = ( 0.2285714 0.2285714 0.0000000), wk = 0.0048077 k( 75) = ( 0.2142857 0.2142857 0.0000000), wk = 0.0048077 k( 76) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0048077 k( 77) = ( 0.1857143 0.1857143 0.0000000), wk = 0.0048077 k( 78) = ( 0.1714286 0.1714286 0.0000000), wk = 0.0048077 k( 79) = ( 0.1571429 0.1571429 0.0000000), wk = 0.0048077 k( 80) = ( 0.1428571 0.1428571 0.0000000), wk = 0.0048077 k( 81) = ( 0.1285714 0.1285714 0.0000000), wk = 0.0048077 k( 82) = ( 0.1142857 0.1142857 -0.0000000), wk = 0.0048077 k( 83) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0048077 k( 84) = ( 0.0857143 0.0857143 0.0000000), wk = 0.0048077 k( 85) = ( 0.0714286 0.0714286 0.0000000), wk = 0.0048077 k( 86) = ( 0.0571429 0.0571429 0.0000000), wk = 0.0048077 k( 87) = ( 0.0428571 0.0428571 -0.0000000), wk = 0.0048077 k( 88) = ( 0.0285714 0.0285714 0.0000000), wk = 0.0048077 k( 89) = ( 0.0142857 0.0142857 0.0000000), wk = 0.0048077 k( 90) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0048077 k( 91) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0048077 k( 92) = ( 0.0000000 0.0000000 0.0294118), wk = 0.0048077 k( 93) = ( 0.0000000 0.0000000 0.0588235), wk = 0.0048077 k( 94) = ( 0.0000000 0.0000000 0.0882353), wk = 0.0048077 k( 95) = ( 0.0000000 0.0000000 0.1176471), wk = 0.0048077 k( 96) = ( 0.0000000 0.0000000 0.1470588), wk = 0.0048077 k( 97) = ( 0.0000000 0.0000000 0.1764706), wk = 0.0048077 k( 98) = ( 0.0000000 0.0000000 0.2058823), wk = 0.0048077 k( 99) = ( 0.0000000 0.0000000 0.2352941), wk = 0.0048077 k( 100) = ( 0.0000000 0.0000000 0.2647059), wk = 0.0048077 k( 101) = ( 0.0000000 0.0000000 0.2941177), wk = 0.0048077 k( 102) = ( 0.0000000 0.0000000 0.3235294), wk = 0.0048077 k( 103) = ( 0.0000000 0.0000000 0.3529412), wk = 0.0048077 k( 104) = ( 0.0000000 0.0000000 0.3823529), wk = 0.0048077 k( 105) = ( 0.0000000 0.0000000 0.4117647), wk = 0.0048077 k( 106) = ( 0.0000000 0.0000000 0.4411765), wk = 0.0048077 k( 107) = ( 0.0000000 0.0000000 0.4705882), wk = 0.0048077 k( 108) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0048077 k( 109) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0048077 k( 110) = ( 0.4848485 0.0000000 0.4848485), wk = 0.0048077 k( 111) = ( 0.4696970 0.0000000 0.4696970), wk = 0.0048077 k( 112) = ( 0.4545455 0.0000000 0.4545455), wk = 0.0048077 k( 113) = ( 0.4393939 0.0000000 0.4393939), wk = 0.0048077 k( 114) = ( 0.4242424 0.0000000 0.4242424), wk = 0.0048077 k( 115) = ( 0.4090909 0.0000000 0.4090909), wk = 0.0048077 k( 116) = ( 0.3939394 0.0000000 0.3939394), wk = 0.0048077 k( 117) = ( 0.3787879 0.0000000 0.3787879), wk = 0.0048077 k( 118) = ( 0.3636364 0.0000000 0.3636364), wk = 0.0048077 k( 119) = ( 0.3484849 0.0000000 0.3484849), wk = 0.0048077 k( 120) = ( 0.3333333 0.0000000 0.3333333), wk = 0.0048077 k( 121) = ( 0.3181818 0.0000000 0.3181818), wk = 0.0048077 k( 122) = ( 0.3030303 0.0000000 0.3030303), wk = 0.0048077 k( 123) = ( 0.2878788 0.0000000 0.2878788), wk = 0.0048077 k( 124) = ( 0.2727273 0.0000000 0.2727273), wk = 0.0048077 k( 125) = ( 0.2575758 0.0000000 0.2575758), wk = 0.0048077 k( 126) = ( 0.2424242 0.0000000 0.2424242), wk = 0.0048077 k( 127) = ( 0.2272727 0.0000000 0.2272727), wk = 0.0048077 k( 128) = ( 0.2121212 0.0000000 0.2121212), wk = 0.0048077 k( 129) = ( 0.1969697 0.0000000 0.1969697), wk = 0.0048077 k( 130) = ( 0.1818182 0.0000000 0.1818182), wk = 0.0048077 k( 131) = ( 0.1666667 0.0000000 0.1666667), wk = 0.0048077 k( 132) = ( 0.1515151 0.0000000 0.1515151), wk = 0.0048077 k( 133) = ( 0.1363636 0.0000000 0.1363636), wk = 0.0048077 k( 134) = ( 0.1212121 0.0000000 0.1212121), wk = 0.0048077 k( 135) = ( 0.1060606 0.0000000 0.1060606), wk = 0.0048077 k( 136) = ( 0.0909091 0.0000000 0.0909091), wk = 0.0048077 k( 137) = ( 0.0757576 0.0000000 0.0757576), wk = 0.0048077 k( 138) = ( 0.0606061 0.0000000 0.0606061), wk = 0.0048077 k( 139) = ( 0.0454546 0.0000000 0.0454546), wk = 0.0048077 k( 140) = ( 0.0303030 0.0000000 0.0303030), wk = 0.0048077 k( 141) = ( 0.0151515 0.0000000 0.0151515), wk = 0.0048077 k( 142) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0048077 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0048077 k( 144) = ( 0.0000000 0.0185185 0.0185185), wk = 0.0048077 k( 145) = ( 0.0000000 0.0370370 0.0370370), wk = 0.0048077 k( 146) = ( 0.0000000 0.0555556 0.0555556), wk = 0.0048077 k( 147) = ( 0.0000000 0.0740741 0.0740741), wk = 0.0048077 k( 148) = ( 0.0000000 0.0925926 0.0925926), wk = 0.0048077 k( 149) = ( 0.0000000 0.1111111 0.1111111), wk = 0.0048077 k( 150) = ( 0.0000000 0.1296296 0.1296296), wk = 0.0048077 k( 151) = ( 0.0000000 0.1481482 0.1481482), wk = 0.0048077 k( 152) = ( 0.0000000 0.1666667 0.1666667), wk = 0.0048077 k( 153) = ( 0.0000000 0.1851852 0.1851852), wk = 0.0048077 k( 154) = ( 0.0000000 0.2037037 0.2037037), wk = 0.0048077 k( 155) = ( 0.0000000 0.2222222 0.2222222), wk = 0.0048077 k( 156) = ( 0.0000000 0.2407407 0.2407407), wk = 0.0048077 k( 157) = ( 0.0000000 0.2592593 0.2592593), wk = 0.0048077 k( 158) = ( 0.0000000 0.2777778 0.2777778), wk = 0.0048077 k( 159) = ( 0.0000000 0.2962963 0.2962963), wk = 0.0048077 k( 160) = ( 0.0000000 0.3148148 0.3148148), wk = 0.0048077 k( 161) = ( 0.0000000 0.3333333 0.3333333), wk = 0.0048077 k( 162) = ( 0.0000000 0.3518518 0.3518519), wk = 0.0048077 k( 163) = ( 0.0000000 0.3703704 0.3703704), wk = 0.0048077 k( 164) = ( 0.0000000 0.3888889 0.3888889), wk = 0.0048077 k( 165) = ( 0.0000000 0.4074074 0.4074074), wk = 0.0048077 k( 166) = ( 0.0000000 0.4259259 0.4259259), wk = 0.0048077 k( 167) = ( 0.0000000 0.4444444 0.4444444), wk = 0.0048077 k( 168) = ( 0.0000000 0.4629630 0.4629630), wk = 0.0048077 k( 169) = ( 0.0000000 0.4814815 0.4814815), wk = 0.0048077 k( 170) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0048077 k( 171) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0048077 k( 172) = ( 0.4864865 0.4864865 0.4864865), wk = 0.0048077 k( 173) = ( 0.4729730 0.4729730 0.4729730), wk = 0.0048077 k( 174) = ( 0.4594595 0.4594595 0.4594595), wk = 0.0048077 k( 175) = ( 0.4459459 0.4459459 0.4459459), wk = 0.0048077 k( 176) = ( 0.4324324 0.4324324 0.4324324), wk = 0.0048077 k( 177) = ( 0.4189189 0.4189189 0.4189189), wk = 0.0048077 k( 178) = ( 0.4054054 0.4054054 0.4054054), wk = 0.0048077 k( 179) = ( 0.3918919 0.3918919 0.3918919), wk = 0.0048077 k( 180) = ( 0.3783784 0.3783784 0.3783784), wk = 0.0048077 k( 181) = ( 0.3648649 0.3648649 0.3648649), wk = 0.0048077 k( 182) = ( 0.3513514 0.3513514 0.3513514), wk = 0.0048077 k( 183) = ( 0.3378378 0.3378378 0.3378378), wk = 0.0048077 k( 184) = ( 0.3243243 0.3243243 0.3243243), wk = 0.0048077 k( 185) = ( 0.3108108 0.3108108 0.3108108), wk = 0.0048077 k( 186) = ( 0.2972973 0.2972973 0.2972973), wk = 0.0048077 k( 187) = ( 0.2837838 0.2837838 0.2837838), wk = 0.0048077 k( 188) = ( 0.2702703 0.2702703 0.2702703), wk = 0.0048077 k( 189) = ( 0.2567568 0.2567568 0.2567568), wk = 0.0048077 k( 190) = ( 0.2432432 0.2432432 0.2432432), wk = 0.0048077 k( 191) = ( 0.2297297 0.2297297 0.2297297), wk = 0.0048077 k( 192) = ( 0.2162162 0.2162162 0.2162162), wk = 0.0048077 k( 193) = ( 0.2027027 0.2027027 0.2027027), wk = 0.0048077 k( 194) = ( 0.1891892 0.1891892 0.1891892), wk = 0.0048077 k( 195) = ( 0.1756757 0.1756757 0.1756757), wk = 0.0048077 k( 196) = ( 0.1621622 0.1621622 0.1621622), wk = 0.0048077 k( 197) = ( 0.1486486 0.1486486 0.1486486), wk = 0.0048077 k( 198) = ( 0.1351351 0.1351351 0.1351351), wk = 0.0048077 k( 199) = ( 0.1216216 0.1216216 0.1216216), wk = 0.0048077 k( 200) = ( 0.1081081 0.1081081 0.1081081), wk = 0.0048077 k( 201) = ( 0.0945946 0.0945946 0.0945946), wk = 0.0048077 k( 202) = ( 0.0810811 0.0810811 0.0810811), wk = 0.0048077 k( 203) = ( 0.0675676 0.0675676 0.0675676), wk = 0.0048077 k( 204) = ( 0.0540540 0.0540541 0.0540540), wk = 0.0048077 k( 205) = ( 0.0405405 0.0405405 0.0405405), wk = 0.0048077 k( 206) = ( 0.0270270 0.0270270 0.0270270), wk = 0.0048077 k( 207) = ( 0.0135135 0.0135135 0.0135135), wk = 0.0048077 k( 208) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0048077 Dense grid: 248793 G-vectors FFT dimensions: ( 60, 80, 108) Smooth grid: 120099 G-vectors FFT dimensions: ( 48, 64, 81) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.52 Mb ( 428, 80) NL pseudopotentials 0.71 Mb ( 214, 218) Each V/rho on FFT grid 0.15 Mb ( 9600) Each G-vector array 0.03 Mb ( 3458) G-vector shells 0.03 Mb ( 3408) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.09 Mb ( 428, 320) Each subspace H/S matrix 0.04 Mb ( 53, 53) Each matrix 0.53 Mb ( 218, 2, 80) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./BH2S3N3F4.save/charge-density.dat negative rho (up, down): 4.849E-04 0.000E+00 Starting wfc are 92 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.9 secs Computing kpt #: 2 total cpu time spent up to now is 8.2 secs Computing kpt #: 3 total cpu time spent up to now is 10.2 secs Computing kpt #: 4 total cpu time spent up to now is 12.4 secs Computing kpt #: 5 total cpu time spent up to now is 14.7 secs Computing kpt #: 6 total cpu time spent up to now is 16.6 secs Computing kpt #: 7 total cpu time spent up to now is 18.6 secs Computing kpt #: 8 total cpu time spent up to now is 20.4 secs Computing kpt #: 9 total cpu time spent up to now is 22.1 secs Computing kpt #: 10 total cpu time spent up to now is 23.7 secs Computing kpt #: 11 total cpu time spent up to now is 25.7 secs Computing kpt #: 12 total cpu time spent up to now is 27.7 secs Computing kpt #: 13 total cpu time spent up to now is 29.5 secs Computing kpt #: 14 total cpu time spent up to now is 31.4 secs Computing kpt #: 15 total cpu time spent up to now is 33.1 secs Computing kpt #: 16 total cpu time spent up to now is 35.0 secs Computing kpt #: 17 total cpu time spent up to now is 36.8 secs Computing kpt #: 18 total cpu time spent up to now is 38.7 secs Computing kpt #: 19 total cpu time spent up to now is 40.4 secs Computing kpt #: 20 total cpu time spent up to now is 42.0 secs Computing kpt #: 21 total cpu time spent up to now is 43.6 secs Computing kpt #: 22 total cpu time spent up to now is 45.2 secs Computing kpt #: 23 total cpu time spent up to now is 46.9 secs Computing kpt #: 24 total cpu time spent up to now is 48.9 secs Computing kpt #: 25 total cpu time spent up to now is 50.6 secs Computing kpt #: 26 total cpu time spent up to now is 52.3 secs Computing kpt #: 27 total cpu time spent up to now is 53.9 secs Computing kpt #: 28 total cpu time spent up to now is 55.5 secs Computing kpt #: 29 total cpu time spent up to now is 57.2 secs Computing kpt #: 30 total cpu time spent up to now is 58.9 secs Computing kpt #: 31 total cpu time spent up to now is 60.5 secs Computing kpt #: 32 total cpu time spent up to now is 62.1 secs Computing kpt #: 33 total cpu time spent up to now is 63.6 secs Computing kpt #: 34 total cpu time spent up to now is 65.5 secs Computing kpt #: 35 total cpu time spent up to now is 67.1 secs Computing kpt #: 36 total cpu time spent up to now is 68.9 secs Computing kpt #: 37 total cpu time spent up to now is 70.5 secs Computing kpt #: 38 total cpu time spent up to now is 72.4 secs Computing kpt #: 39 total cpu time spent up to now is 74.5 secs Computing kpt #: 40 total cpu time spent up to now is 76.2 secs Computing kpt #: 41 total cpu time spent up to now is 77.8 secs Computing kpt #: 42 total cpu time spent up to now is 79.5 secs Computing kpt #: 43 total cpu time spent up to now is 81.1 secs Computing kpt #: 44 total cpu time spent up to now is 83.0 secs Computing kpt #: 45 total cpu time spent up to now is 84.9 secs Computing kpt #: 46 total cpu time spent up to now is 87.0 secs Computing kpt #: 47 total cpu time spent up to now is 89.3 secs Computing kpt #: 48 total cpu time spent up to now is 91.6 secs Computing kpt #: 49 total cpu time spent up to now is 94.0 secs Computing kpt #: 50 total cpu time spent up to now is 96.6 secs Computing kpt #: 51 total cpu time spent up to now is 99.1 secs Computing kpt #: 52 total cpu time spent up to now is 101.7 secs Computing kpt #: 53 total cpu time spent up to now is 104.1 secs Computing kpt #: 54 total cpu time spent up to now is 106.5 secs Computing kpt #: 55 total cpu time spent up to now is 109.0 secs Computing kpt #: 56 total cpu time spent up to now is 111.5 secs Computing kpt #: 57 total cpu time spent up to now is 114.0 secs Computing kpt #: 58 total cpu time spent up to now is 116.8 secs Computing kpt #: 59 total cpu time spent up to now is 119.4 secs Computing kpt #: 60 total cpu time spent up to now is 122.0 secs Computing kpt #: 61 total cpu time spent up to now is 124.6 secs Computing kpt #: 62 total cpu time spent up to now is 127.0 secs Computing kpt #: 63 total cpu time spent up to now is 129.1 secs Computing kpt #: 64 total cpu time spent up to now is 131.4 secs Computing kpt #: 65 total cpu time spent up to now is 133.6 secs Computing kpt #: 66 total cpu time spent up to now is 135.8 secs Computing kpt #: 67 total cpu time spent up to now is 138.0 secs Computing kpt #: 68 total cpu time spent up to now is 140.0 secs Computing kpt #: 69 total cpu time spent up to now is 142.2 secs Computing kpt #: 70 total cpu time spent up to now is 144.3 secs Computing kpt #: 71 total cpu time spent up to now is 146.4 secs Computing kpt #: 72 total cpu time spent up to now is 148.7 secs Computing kpt #: 73 total cpu time spent up to now is 150.8 secs Computing kpt #: 74 total cpu time spent up to now is 152.9 secs Computing kpt #: 75 total cpu time spent up to now is 155.2 secs Computing kpt #: 76 total cpu time spent up to now is 157.7 secs Computing kpt #: 77 total cpu time spent up to now is 159.8 secs Computing kpt #: 78 total cpu time spent up to now is 162.1 secs Computing kpt #: 79 total cpu time spent up to now is 164.2 secs Computing kpt #: 80 total cpu time spent up to now is 166.3 secs Computing kpt #: 81 total cpu time spent up to now is 168.3 secs Computing kpt #: 82 total cpu time spent up to now is 170.2 secs Computing kpt #: 83 total cpu time spent up to now is 172.0 secs Computing kpt #: 84 total cpu time spent up to now is 173.9 secs Computing kpt #: 85 total cpu time spent up to now is 175.9 secs Computing kpt #: 86 total cpu time spent up to now is 177.9 secs Computing kpt #: 87 total cpu time spent up to now is 180.1 secs Computing kpt #: 88 total cpu time spent up to now is 182.2 secs Computing kpt #: 89 total cpu time spent up to now is 184.3 secs Computing kpt #: 90 total cpu time spent up to now is 186.4 secs Computing kpt #: 91 total cpu time spent up to now is 188.6 secs Computing kpt #: 92 total cpu time spent up to now is 190.7 secs Computing kpt #: 93 total cpu time spent up to now is 192.9 secs Computing kpt #: 94 total cpu time spent up to now is 194.8 secs Computing kpt #: 95 total cpu time spent up to now is 196.9 secs Computing kpt #: 96 total cpu time spent up to now is 199.2 secs Computing kpt #: 97 total cpu time spent up to now is 201.2 secs Computing kpt #: 98 total cpu time spent up to now is 203.6 secs Computing kpt #: 99 total cpu time spent up to now is 205.9 secs Computing kpt #: 100 total cpu time spent up to now is 208.2 secs Computing kpt #: 101 total cpu time spent up to now is 210.9 secs Computing kpt #: 102 total cpu time spent up to now is 213.1 secs Computing kpt #: 103 total cpu time spent up to now is 215.5 secs Computing kpt #: 104 total cpu time spent up to now is 217.9 secs Computing kpt #: 105 total cpu time spent up to now is 220.3 secs Computing kpt #: 106 total cpu time spent up to now is 222.8 secs Computing kpt #: 107 total cpu time spent up to now is 225.3 secs Computing kpt #: 108 total cpu time spent up to now is 227.9 secs Computing kpt #: 109 total cpu time spent up to now is 230.6 secs Computing kpt #: 110 total cpu time spent up to now is 233.3 secs Computing kpt #: 111 total cpu time spent up to now is 235.6 secs Computing kpt #: 112 total cpu time spent up to now is 237.8 secs Computing kpt #: 113 total cpu time spent up to now is 240.1 secs Computing kpt #: 114 total cpu time spent up to now is 242.3 secs Computing kpt #: 115 total cpu time spent up to now is 244.6 secs Computing kpt #: 116 total cpu time spent up to now is 246.8 secs Computing kpt #: 117 total cpu time spent up to now is 249.0 secs Computing kpt #: 118 total cpu time spent up to now is 251.2 secs Computing kpt #: 119 total cpu time spent up to now is 253.5 secs Computing kpt #: 120 total cpu time spent up to now is 255.7 secs Computing kpt #: 121 total cpu time spent up to now is 257.9 secs Computing kpt #: 122 total cpu time spent up to now is 260.0 secs Computing kpt #: 123 total cpu time spent up to now is 262.2 secs Computing kpt #: 124 total cpu time spent up to now is 264.3 secs Computing kpt #: 125 total cpu time spent up to now is 266.6 secs Computing kpt #: 126 total cpu time spent up to now is 268.8 secs Computing kpt #: 127 total cpu time spent up to now is 270.7 secs Computing kpt #: 128 total cpu time spent up to now is 272.8 secs Computing kpt #: 129 total cpu time spent up to now is 274.9 secs Computing kpt #: 130 total cpu time spent up to now is 277.3 secs Computing kpt #: 131 total cpu time spent up to now is 279.8 secs Computing kpt #: 132 total cpu time spent up to now is 282.0 secs Computing kpt #: 133 total cpu time spent up to now is 284.0 secs Computing kpt #: 134 total cpu time spent up to now is 286.2 secs Computing kpt #: 135 total cpu time spent up to now is 288.2 secs Computing kpt #: 136 total cpu time spent up to now is 290.2 secs Computing kpt #: 137 total cpu time spent up to now is 292.3 secs Computing kpt #: 138 total cpu time spent up to now is 294.5 secs Computing kpt #: 139 total cpu time spent up to now is 296.7 secs Computing kpt #: 140 total cpu time spent up to now is 298.8 secs Computing kpt #: 141 total cpu time spent up to now is 301.0 secs Computing kpt #: 142 total cpu time spent up to now is 303.0 secs Computing kpt #: 143 total cpu time spent up to now is 305.4 secs Computing kpt #: 144 total cpu time spent up to now is 307.5 secs Computing kpt #: 145 total cpu time spent up to now is 309.7 secs Computing kpt #: 146 total cpu time spent up to now is 311.6 secs Computing kpt #: 147 total cpu time spent up to now is 313.7 secs Computing kpt #: 148 total cpu time spent up to now is 315.9 secs Computing kpt #: 149 total cpu time spent up to now is 318.3 secs Computing kpt #: 150 total cpu time spent up to now is 321.0 secs Computing kpt #: 151 total cpu time spent up to now is 323.2 secs Computing kpt #: 152 total cpu time spent up to now is 325.3 secs Computing kpt #: 153 total cpu time spent up to now is 327.4 secs Computing kpt #: 154 total cpu time spent up to now is 329.6 secs Computing kpt #: 155 total cpu time spent up to now is 331.9 secs Computing kpt #: 156 total cpu time spent up to now is 334.3 secs Computing kpt #: 157 total cpu time spent up to now is 336.6 secs Computing kpt #: 158 total cpu time spent up to now is 338.9 secs Computing kpt #: 159 total cpu time spent up to now is 341.4 secs Computing kpt #: 160 total cpu time spent up to now is 343.8 secs Computing kpt #: 161 total cpu time spent up to now is 346.1 secs Computing kpt #: 162 total cpu time spent up to now is 348.2 secs Computing kpt #: 163 total cpu time spent up to now is 350.3 secs Computing kpt #: 164 total cpu time spent up to now is 352.6 secs Computing kpt #: 165 total cpu time spent up to now is 355.0 secs Computing kpt #: 166 total cpu time spent up to now is 357.6 secs Computing kpt #: 167 total cpu time spent up to now is 360.0 secs Computing kpt #: 168 total cpu time spent up to now is 362.4 secs Computing kpt #: 169 total cpu time spent up to now is 364.7 secs Computing kpt #: 170 total cpu time spent up to now is 366.9 secs Computing kpt #: 171 total cpu time spent up to now is 369.5 secs Computing kpt #: 172 total cpu time spent up to now is 372.1 secs Computing kpt #: 173 total cpu time spent up to now is 374.8 secs Computing kpt #: 174 total cpu time spent up to now is 377.2 secs Computing kpt #: 175 total cpu time spent up to now is 379.8 secs Computing kpt #: 176 total cpu time spent up to now is 382.5 secs Computing kpt #: 177 total cpu time spent up to now is 385.2 secs Computing kpt #: 178 total cpu time spent up to now is 387.6 secs Computing kpt #: 179 total cpu time spent up to now is 389.9 secs Computing kpt #: 180 total cpu time spent up to now is 391.9 secs Computing kpt #: 181 total cpu time spent up to now is 394.2 secs Computing kpt #: 182 total cpu time spent up to now is 396.2 secs Computing kpt #: 183 total cpu time spent up to now is 398.2 secs Computing kpt #: 184 total cpu time spent up to now is 400.6 secs Computing kpt #: 185 total cpu time spent up to now is 402.9 secs Computing kpt #: 186 total cpu time spent up to now is 405.3 secs Computing kpt #: 187 total cpu time spent up to now is 407.9 secs Computing kpt #: 188 total cpu time spent up to now is 410.5 secs Computing kpt #: 189 total cpu time spent up to now is 412.8 secs Computing kpt #: 190 total cpu time spent up to now is 414.9 secs Computing kpt #: 191 total cpu time spent up to now is 417.1 secs Computing kpt #: 192 total cpu time spent up to now is 419.3 secs Computing kpt #: 193 total cpu time spent up to now is 421.7 secs Computing kpt #: 194 total cpu time spent up to now is 424.2 secs Computing kpt #: 195 total cpu time spent up to now is 426.3 secs Computing kpt #: 196 total cpu time spent up to now is 428.5 secs Computing kpt #: 197 total cpu time spent up to now is 430.6 secs Computing kpt #: 198 total cpu time spent up to now is 432.9 secs Computing kpt #: 199 total cpu time spent up to now is 435.0 secs Computing kpt #: 200 total cpu time spent up to now is 437.0 secs Computing kpt #: 201 total cpu time spent up to now is 439.0 secs Computing kpt #: 202 total cpu time spent up to now is 441.0 secs Computing kpt #: 203 total cpu time spent up to now is 443.2 secs Computing kpt #: 204 total cpu time spent up to now is 445.5 secs Computing kpt #: 205 total cpu time spent up to now is 447.7 secs Computing kpt #: 206 total cpu time spent up to now is 450.0 secs Computing kpt #: 207 total cpu time spent up to now is 452.3 secs Computing kpt #: 208 total cpu time spent up to now is 455.1 secs ethr = 1.52E-08, avg # of iterations = 18.6 total cpu time spent up to now is 455.1 secs End of band structure calculation k = 0.5000-0.0691-0.0493 ( 15010 PWs) bands (ev): -26.5490 -26.5490 -24.9236 -24.9236 -24.5304 -24.5304 -24.1402 -24.1402 -23.5687 -23.5687 -22.4412 -22.4412 -19.9786 -19.9786 -17.6703 -17.6703 -14.5240 -14.5240 -13.2516 -13.2516 -12.6349 -12.6349 -11.0576 -11.0576 -9.3659 -9.3659 -8.7667 -8.7667 -8.5800 -8.5800 -8.1883 -8.1883 -8.0532 -8.0532 -7.8794 -7.8794 -7.3327 -7.3327 -6.6838 -6.6838 -5.8474 -5.8474 -5.6690 -5.6690 -5.5059 -5.5059 -5.3148 -5.3148 -5.1167 -5.1167 -4.9277 -4.9277 -4.8626 -4.8626 -4.7411 -4.7411 -4.5918 -4.5918 -3.9135 -3.9135 -3.6740 -3.6740 -3.4678 -3.4678 -3.1113 -3.1113 -0.6691 -0.6691 0.4561 0.4561 1.9145 1.9145 2.0930 2.0930 3.0212 3.0212 3.5618 3.5618 4.0741 4.0741 k = 0.4833-0.0668-0.0477 ( 15015 PWs) bands (ev): -26.5491 -26.5491 -24.9236 -24.9236 -24.5304 -24.5304 -24.1402 -24.1402 -23.5688 -23.5688 -22.4412 -22.4412 -19.9785 -19.9785 -17.6703 -17.6702 -14.5241 -14.5241 -13.2516 -13.2516 -12.6350 -12.6350 -11.0575 -11.0574 -9.3661 -9.3660 -8.7670 -8.7666 -8.5798 -8.5795 -8.1884 -8.1880 -8.0535 -8.0532 -7.8797 -7.8794 -7.3328 -7.3327 -6.6843 -6.6841 -5.8474 -5.8472 -5.6697 -5.6690 -5.5064 -5.5060 -5.3153 -5.3146 -5.1172 -5.1156 -4.9287 -4.9265 -4.8632 -4.8617 -4.7413 -4.7410 -4.5923 -4.5911 -3.9136 -3.9135 -3.6742 -3.6740 -3.4678 -3.4677 -3.1115 -3.1111 -0.6685 -0.6683 0.4562 0.4566 1.9146 1.9149 2.0929 2.0931 3.0198 3.0200 3.5608 3.5613 4.0571 4.0585 k = 0.4667-0.0645-0.0460 ( 15011 PWs) bands (ev): -26.5491 -26.5491 -24.9236 -24.9236 -24.5304 -24.5304 -24.1401 -24.1401 -23.5689 -23.5689 -22.4411 -22.4411 -19.9783 -19.9783 -17.6701 -17.6701 -14.5244 -14.5244 -13.2517 -13.2516 -12.6352 -12.6351 -11.0572 -11.0571 -9.3665 -9.3664 -8.7674 -8.7666 -8.5789 -8.5784 -8.1882 -8.1876 -8.0540 -8.0534 -7.8801 -7.8796 -7.3330 -7.3328 -6.6857 -6.6853 -5.8470 -5.8466 -5.6710 -5.6696 -5.5075 -5.5068 -5.3161 -5.3148 -5.1170 -5.1138 -4.9295 -4.9250 -4.8636 -4.8607 -4.7414 -4.7408 -4.5926 -4.5902 -3.9138 -3.9135 -3.6743 -3.6740 -3.4677 -3.4675 -3.1116 -3.1109 -0.6665 -0.6662 0.4569 0.4576 1.9152 1.9159 2.0928 2.0932 3.0158 3.0162 3.5582 3.5593 4.0206 4.0227 k = 0.4500-0.0622-0.0444 ( 15015 PWs) bands (ev): -26.5491 -26.5491 -24.9236 -24.9236 -24.5303 -24.5303 -24.1401 -24.1401 -23.5692 -23.5692 -22.4410 -22.4410 -19.9779 -19.9779 -17.6698 -17.6698 -14.5249 -14.5248 -13.2517 -13.2516 -12.6355 -12.6355 -11.0566 -11.0565 -9.3673 -9.3671 -8.7679 -8.7668 -8.5774 -8.5765 -8.1880 -8.1870 -8.0547 -8.0538 -7.8808 -7.8800 -7.3334 -7.3330 -6.6879 -6.6873 -5.8463 -5.8458 -5.6729 -5.6708 -5.5091 -5.5082 -5.3171 -5.3153 -5.1161 -5.1115 -4.9300 -4.9233 -4.8638 -4.8594 -4.7416 -4.7406 -4.5926 -4.5890 -3.9141 -3.9136 -3.6745 -3.6740 -3.4675 -3.4672 -3.1117 -3.1106 -0.6632 -0.6627 0.4581 0.4591 1.9164 1.9173 2.0928 2.0933 3.0092 3.0098 3.5540 3.5555 3.9791 3.9817 k = 0.4333-0.0599-0.0428 ( 15017 PWs) bands (ev): -26.5492 -26.5492 -24.9236 -24.9236 -24.5302 -24.5302 -24.1401 -24.1401 -23.5696 -23.5695 -22.4409 -22.4409 -19.9774 -19.9774 -17.6694 -17.6694 -14.5256 -14.5255 -13.2518 -13.2517 -12.6360 -12.6359 -11.0558 -11.0556 -9.3683 -9.3681 -8.7686 -8.7671 -8.5752 -8.5741 -8.1875 -8.1863 -8.0557 -8.0544 -7.8816 -7.8806 -7.3338 -7.3334 -6.6908 -6.6901 -5.8454 -5.8446 -5.6753 -5.6726 -5.5113 -5.5101 -5.3185 -5.3161 -5.1147 -5.1087 -4.9303 -4.9214 -4.8638 -4.8580 -4.7416 -4.7404 -4.5923 -4.5877 -3.9144 -3.9138 -3.6747 -3.6740 -3.4672 -3.4669 -3.1118 -3.1104 -0.6586 -0.6580 0.4598 0.4611 1.9181 1.9193 2.0927 2.0933 3.0002 3.0009 3.5477 3.5498 3.9391 3.9419 k = 0.4167-0.0576-0.0411 ( 15011 PWs) bands (ev): -26.5493 -26.5493 -24.9236 -24.9236 -24.5300 -24.5300 -24.1400 -24.1400 -23.5700 -23.5700 -22.4407 -22.4407 -19.9768 -19.9768 -17.6690 -17.6689 -14.5264 -14.5263 -13.2518 -13.2517 -12.6366 -12.6364 -11.0549 -11.0546 -9.3696 -9.3693 -8.7693 -8.7676 -8.5723 -8.5710 -8.1869 -8.1854 -8.0569 -8.0553 -7.8827 -7.8814 -7.3343 -7.3338 -6.6945 -6.6936 -5.8441 -5.8432 -5.6784 -5.6751 -5.5140 -5.5126 -5.3201 -5.3172 -5.1127 -5.1055 -4.9305 -4.9195 -4.8636 -4.8564 -4.7416 -4.7401 -4.5918 -4.5861 -3.9148 -3.9141 -3.6750 -3.6741 -3.4669 -3.4664 -3.1118 -3.1101 -0.6527 -0.6520 0.4620 0.4637 1.9203 1.9218 2.0925 2.0933 2.9886 2.9896 3.5392 3.5418 3.9030 3.9061 k = 0.4000-0.0553-0.0395 ( 15015 PWs) bands (ev): -26.5494 -26.5494 -24.9236 -24.9236 -24.5298 -24.5298 -24.1400 -24.1400 -23.5706 -23.5705 -22.4405 -22.4405 -19.9760 -19.9760 -17.6684 -17.6684 -14.5274 -14.5273 -13.2519 -13.2518 -12.6373 -12.6371 -11.0537 -11.0534 -9.3711 -9.3708 -8.7702 -8.7683 -8.5687 -8.5673 -8.1863 -8.1844 -8.0582 -8.0563 -7.8839 -7.8824 -7.3349 -7.3343 -6.6989 -6.6978 -5.8426 -5.8415 -5.6820 -5.6781 -5.5171 -5.5155 -5.3219 -5.3187 -5.1102 -5.1021 -4.9304 -4.9174 -4.8632 -4.8547 -4.7414 -4.7396 -4.5909 -4.5843 -3.9152 -3.9144 -3.6753 -3.6743 -3.4664 -3.4659 -3.1117 -3.1097 -0.6457 -0.6448 0.4647 0.4667 1.9229 1.9247 2.0924 2.0933 2.9748 2.9759 3.5282 3.5312 3.8722 3.8755 k = 0.3833-0.0530-0.0378 ( 15013 PWs) bands (ev): -26.5496 -26.5496 -24.9237 -24.9237 -24.5296 -24.5296 -24.1399 -24.1399 -23.5712 -23.5712 -22.4402 -22.4402 -19.9751 -19.9751 -17.6677 -17.6677 -14.5286 -14.5285 -13.2520 -13.2519 -12.6381 -12.6379 -11.0523 -11.0520 -9.3729 -9.3725 -8.7713 -8.7691 -8.5645 -8.5629 -8.1856 -8.1834 -8.0598 -8.0576 -7.8852 -7.8835 -7.3356 -7.3349 -6.7038 -6.7026 -5.8408 -5.8395 -5.6861 -5.6817 -5.5206 -5.5187 -5.3240 -5.3204 -5.1074 -5.0986 -4.9303 -4.9154 -4.8628 -4.8531 -4.7411 -4.7389 -4.5896 -4.5823 -3.9157 -3.9148 -3.6756 -3.6744 -3.4659 -3.4653 -3.1116 -3.1093 -0.6377 -0.6366 0.4679 0.4702 1.9259 1.9280 2.0922 2.0933 2.9587 2.9600 3.5147 3.5179 3.8473 3.8507 k = 0.3667-0.0507-0.0362 ( 15014 PWs) bands (ev): -26.5497 -26.5497 -24.9237 -24.9237 -24.5293 -24.5293 -24.1398 -24.1398 -23.5719 -23.5719 -22.4399 -22.4399 -19.9741 -19.9741 -17.6670 -17.6669 -14.5299 -14.5298 -13.2521 -13.2519 -12.6390 -12.6388 -11.0508 -11.0504 -9.3748 -9.3744 -8.7724 -8.7700 -8.5597 -8.5580 -8.1848 -8.1824 -8.0615 -8.0591 -7.8867 -7.8848 -7.3364 -7.3356 -6.7092 -6.7078 -5.8387 -5.8374 -5.6908 -5.6859 -5.5242 -5.5223 -5.3262 -5.3224 -5.1044 -5.0951 -4.9300 -4.9135 -4.8623 -4.8515 -4.7404 -4.7378 -4.5881 -4.5800 -3.9163 -3.9152 -3.6759 -3.6746 -3.4653 -3.4646 -3.1114 -3.1088 -0.6286 -0.6275 0.4715 0.4741 1.9293 1.9317 2.0920 2.0932 2.9407 2.9421 3.4988 3.5022 3.8282 3.8316 k = 0.3500-0.0484-0.0345 ( 15007 PWs) bands (ev): -26.5499 -26.5499 -24.9237 -24.9237 -24.5290 -24.5290 -24.1398 -24.1398 -23.5727 -23.5726 -22.4396 -22.4396 -19.9730 -19.9730 -17.6661 -17.6661 -14.5314 -14.5312 -13.2522 -13.2520 -12.6399 -12.6397 -11.0490 -11.0486 -9.3770 -9.3766 -8.7735 -8.7710 -8.5544 -8.5526 -8.1841 -8.1814 -8.0634 -8.0607 -7.8883 -7.8862 -7.3372 -7.3364 -6.7150 -6.7135 -5.8365 -5.8350 -5.6959 -5.6906 -5.5281 -5.5260 -5.3286 -5.3246 -5.1013 -5.0918 -4.9295 -4.9116 -4.8619 -4.8501 -4.7394 -4.7363 -4.5861 -4.5776 -3.9168 -3.9156 -3.6762 -3.6748 -3.4646 -3.4639 -3.1111 -3.1083 -0.6187 -0.6174 0.4756 0.4784 1.9331 1.9356 2.0917 2.0930 2.9209 2.9224 3.4809 3.4843 3.8146 3.8180 k = 0.3333-0.0461-0.0329 ( 15014 PWs) bands (ev): -26.5501 -26.5501 -24.9237 -24.9237 -24.5287 -24.5287 -24.1397 -24.1397 -23.5735 -23.5735 -22.4392 -22.4392 -19.9718 -19.9718 -17.6653 -17.6652 -14.5329 -14.5328 -13.2524 -13.2521 -12.6410 -12.6408 -11.0472 -11.0468 -9.3793 -9.3788 -8.7748 -8.7722 -8.5484 -8.5466 -8.1835 -8.1806 -8.0654 -8.0625 -7.8900 -7.8878 -7.3381 -7.3372 -6.7211 -6.7195 -5.8340 -5.8324 -5.7014 -5.6959 -5.5320 -5.5299 -5.3311 -5.3271 -5.0983 -5.0888 -4.9290 -4.9100 -4.8615 -4.8490 -4.7379 -4.7342 -4.5839 -4.5749 -3.9174 -3.9161 -3.6765 -3.6750 -3.4639 -3.4631 -3.1107 -3.1077 -0.6080 -0.6067 0.4800 0.4830 1.9370 1.9398 2.0913 2.0927 2.8997 2.9013 3.4617 3.4651 3.8059 3.8091 k = 0.3167-0.0438-0.0312 ( 15007 PWs) bands (ev): -26.5503 -26.5503 -24.9238 -24.9238 -24.5284 -24.5284 -24.1396 -24.1396 -23.5744 -23.5744 -22.4389 -22.4389 -19.9705 -19.9705 -17.6643 -17.6643 -14.5346 -14.5344 -13.2525 -13.2523 -12.6421 -12.6419 -11.0452 -11.0448 -9.3818 -9.3813 -8.7761 -8.7734 -8.5419 -8.5401 -8.1829 -8.1798 -8.0676 -8.0644 -7.8918 -7.8894 -7.3390 -7.3381 -6.7274 -6.7257 -5.8315 -5.8297 -5.7073 -5.7015 -5.5359 -5.5338 -5.3338 -5.3297 -5.0956 -5.0863 -4.9283 -4.9085 -4.8613 -4.8482 -4.7357 -4.7315 -4.5814 -4.5721 -3.9180 -3.9166 -3.6767 -3.6752 -3.4631 -3.4622 -3.1102 -3.1070 -0.5967 -0.5953 0.4847 0.4879 1.9412 1.9441 2.0908 2.0923 2.8773 2.8789 3.4417 3.4450 3.8012 3.8041 k = 0.3000-0.0415-0.0296 ( 15017 PWs) bands (ev): -26.5505 -26.5505 -24.9238 -24.9238 -24.5281 -24.5281 -24.1395 -24.1395 -23.5753 -23.5753 -22.4385 -22.4385 -19.9692 -19.9692 -17.6633 -17.6633 -14.5363 -14.5361 -13.2526 -13.2524 -12.6433 -12.6431 -11.0431 -11.0427 -9.3844 -9.3838 -8.7775 -8.7748 -8.5349 -8.5332 -8.1826 -8.1793 -8.0698 -8.0665 -7.8937 -7.8912 -7.3399 -7.3390 -6.7338 -6.7320 -5.8288 -5.8270 -5.7135 -5.7076 -5.5397 -5.5376 -5.3366 -5.3324 -5.0933 -5.0843 -4.9274 -4.9072 -4.8612 -4.8479 -4.7328 -4.7280 -4.5786 -4.5691 -3.9186 -3.9172 -3.6770 -3.6754 -3.4622 -3.4613 -3.1096 -3.1062 -0.5849 -0.5834 0.4898 0.4931 1.9456 1.9486 2.0903 2.0917 2.8541 2.8557 3.4216 3.4248 3.7997 3.8025 k = 0.2833-0.0392-0.0280 ( 15012 PWs) bands (ev): -26.5507 -26.5507 -24.9238 -24.9238 -24.5277 -24.5277 -24.1394 -24.1394 -23.5763 -23.5763 -22.4381 -22.4381 -19.9678 -19.9678 -17.6623 -17.6623 -14.5381 -14.5379 -13.2528 -13.2525 -12.6445 -12.6443 -11.0410 -11.0405 -9.3870 -9.3865 -8.7789 -8.7762 -8.5275 -8.5258 -8.1824 -8.1789 -8.0721 -8.0686 -7.8956 -7.8930 -7.3409 -7.3399 -6.7402 -6.7383 -5.8261 -5.8242 -5.7199 -5.7139 -5.5433 -5.5413 -5.3394 -5.3353 -5.0914 -5.0829 -4.9264 -4.9060 -4.8615 -4.8481 -4.7292 -4.7239 -4.5757 -4.5661 -3.9192 -3.9177 -3.6772 -3.6756 -3.4613 -3.4603 -3.1089 -3.1054 -0.5727 -0.5712 0.4950 0.4984 1.9500 1.9531 2.0896 2.0911 2.8303 2.8321 3.4018 3.4048 3.8009 3.8034 k = 0.2667-0.0369-0.0263 ( 15019 PWs) bands (ev): -26.5509 -26.5509 -24.9239 -24.9239 -24.5274 -24.5274 -24.1393 -24.1393 -23.5773 -23.5772 -22.4377 -22.4377 -19.9664 -19.9664 -17.6613 -17.6612 -14.5400 -14.5398 -13.2529 -13.2527 -12.6457 -12.6455 -11.0387 -11.0383 -9.3897 -9.3892 -8.7804 -8.7777 -8.5197 -8.5181 -8.1826 -8.1789 -8.0744 -8.0708 -7.8976 -7.8949 -7.3418 -7.3408 -6.7465 -6.7445 -5.8235 -5.8215 -5.7264 -5.7205 -5.5468 -5.5449 -5.3423 -5.3383 -5.0902 -5.0823 -4.9251 -4.9049 -4.8619 -4.8487 -4.7248 -4.7192 -4.5726 -4.5630 -3.9198 -3.9183 -3.6774 -3.6758 -3.4603 -3.4594 -3.1081 -3.1046 -0.5603 -0.5587 0.5005 0.5039 1.9544 1.9576 2.0888 2.0903 2.8064 2.8082 3.3826 3.3853 3.8041 3.8064 k = 0.2500-0.0346-0.0247 ( 15023 PWs) bands (ev): -26.5512 -26.5512 -24.9239 -24.9239 -24.5270 -24.5270 -24.1392 -24.1392 -23.5783 -23.5782 -22.4373 -22.4373 -19.9650 -19.9650 -17.6602 -17.6602 -14.5418 -14.5416 -13.2531 -13.2528 -12.6470 -12.6467 -11.0365 -11.0360 -9.3924 -9.3919 -8.7818 -8.7792 -8.5116 -8.5101 -8.1830 -8.1792 -8.0766 -8.0731 -7.8996 -7.8969 -7.3427 -7.3417 -6.7526 -6.7506 -5.8211 -5.8189 -5.7330 -5.7272 -5.5500 -5.5482 -5.3452 -5.3413 -5.0896 -5.0824 -4.9236 -4.9039 -4.8625 -4.8497 -4.7196 -4.7139 -4.5694 -4.5600 -3.9204 -3.9189 -3.6776 -3.6759 -3.4593 -3.4584 -3.1072 -3.1037 -0.5478 -0.5462 0.5060 0.5095 1.9588 1.9620 2.0879 2.0893 2.7827 2.7844 3.3642 3.3668 3.8089 3.8110 k = 0.2333-0.0323-0.0230 ( 15017 PWs) bands (ev): -26.5514 -26.5514 -24.9239 -24.9239 -24.5267 -24.5267 -24.1391 -24.1391 -23.5793 -23.5792 -22.4369 -22.4369 -19.9636 -19.9635 -17.6591 -17.6591 -14.5437 -14.5434 -13.2533 -13.2530 -12.6482 -12.6480 -11.0342 -11.0337 -9.3952 -9.3946 -8.7833 -8.7807 -8.5032 -8.5018 -8.1837 -8.1799 -8.0789 -8.0753 -7.9016 -7.8988 -7.3436 -7.3426 -6.7585 -6.7564 -5.8189 -5.8166 -5.7394 -5.7338 -5.5528 -5.5512 -5.3481 -5.3444 -5.0897 -5.0833 -4.9219 -4.9030 -4.8632 -4.8511 -4.7138 -4.7080 -4.5663 -4.5570 -3.9209 -3.9194 -3.6777 -3.6761 -3.4583 -3.4574 -3.1062 -3.1027 -0.5353 -0.5337 0.5116 0.5151 1.9631 1.9663 2.0868 2.0882 2.7594 2.7611 3.3468 3.3492 3.8149 3.8168 k = 0.2167-0.0299-0.0214 ( 15011 PWs) bands (ev): -26.5516 -26.5516 -24.9240 -24.9240 -24.5263 -24.5263 -24.1390 -24.1390 -23.5802 -23.5802 -22.4365 -22.4365 -19.9622 -19.9621 -17.6581 -17.6580 -14.5455 -14.5453 -13.2534 -13.2532 -12.6494 -12.6492 -11.0320 -11.0315 -9.3978 -9.3973 -8.7847 -8.7823 -8.4946 -8.4933 -8.1847 -8.1809 -8.0810 -8.0775 -7.9035 -7.9008 -7.3445 -7.3435 -6.7640 -6.7619 -5.8172 -5.8148 -5.7454 -5.7402 -5.5553 -5.5539 -5.3511 -5.3475 -5.0905 -5.0848 -4.9200 -4.9021 -4.8639 -4.8527 -4.7075 -4.7019 -4.5631 -4.5541 -3.9214 -3.9200 -3.6778 -3.6762 -3.4573 -3.4563 -3.1052 -3.1018 -0.5229 -0.5214 0.5172 0.5207 1.9673 1.9704 2.0857 2.0870 2.7368 2.7385 3.3305 3.3327 3.8218 3.8236 k = 0.2000-0.0276-0.0197 ( 15023 PWs) bands (ev): -26.5518 -26.5518 -24.9240 -24.9240 -24.5260 -24.5260 -24.1389 -24.1389 -23.5812 -23.5812 -22.4361 -22.4361 -19.9608 -19.9607 -17.6571 -17.6570 -14.5473 -14.5471 -13.2536 -13.2533 -12.6506 -12.6504 -11.0298 -11.0293 -9.4004 -9.3999 -8.7861 -8.7838 -8.4860 -8.4848 -8.1861 -8.1823 -8.0830 -8.0796 -7.9055 -7.9029 -7.3453 -7.3443 -6.7691 -6.7671 -5.8160 -5.8135 -5.7509 -5.7462 -5.5575 -5.5562 -5.3540 -5.3506 -5.0920 -5.0869 -4.9180 -4.9012 -4.8647 -4.8544 -4.7009 -4.6954 -4.5601 -4.5514 -3.9219 -3.9205 -3.6778 -3.6763 -3.4563 -3.4553 -3.1042 -3.1008 -0.5109 -0.5094 0.5228 0.5262 1.9713 1.9743 2.0844 2.0857 2.7151 2.7168 3.3154 3.3173 3.8293 3.8309 k = 0.1833-0.0253-0.0181 ( 15022 PWs) bands (ev): -26.5520 -26.5520 -24.9240 -24.9240 -24.5257 -24.5257 -24.1388 -24.1388 -23.5821 -23.5821 -22.4357 -22.4357 -19.9594 -19.9594 -17.6561 -17.6560 -14.5490 -14.5488 -13.2537 -13.2535 -12.6518 -12.6516 -11.0276 -11.0272 -9.4030 -9.4025 -8.7874 -8.7852 -8.4773 -8.4762 -8.1878 -8.1840 -8.0849 -8.0816 -7.9074 -7.9049 -7.3460 -7.3451 -6.7738 -6.7718 -5.8157 -5.8131 -5.7556 -5.7514 -5.5593 -5.5582 -5.3568 -5.3537 -5.0939 -5.0896 -4.9159 -4.9004 -4.8654 -4.8562 -4.6941 -4.6889 -4.5572 -4.5488 -3.9224 -3.9210 -3.6778 -3.6764 -3.4553 -3.4544 -3.1031 -3.0999 -0.4993 -0.4978 0.5282 0.5315 1.9750 1.9779 2.0830 2.0842 2.6946 2.6962 3.3014 3.3032 3.8372 3.8386 k = 0.1667-0.0230-0.0164 ( 15022 PWs) bands (ev): -26.5522 -26.5522 -24.9241 -24.9241 -24.5253 -24.5253 -24.1387 -24.1387 -23.5830 -23.5830 -22.4354 -22.4354 -19.9582 -19.9581 -17.6551 -17.6551 -14.5506 -14.5504 -13.2539 -13.2536 -12.6529 -12.6527 -11.0256 -11.0251 -9.4054 -9.4049 -8.7886 -8.7867 -8.4686 -8.4677 -8.1898 -8.1862 -8.0866 -8.0835 -7.9093 -7.9068 -7.3467 -7.3458 -6.7780 -6.7761 -5.8163 -5.8135 -5.7593 -5.7557 -5.5608 -5.5598 -5.3596 -5.3567 -5.0964 -5.0925 -4.9138 -4.8997 -4.8660 -4.8580 -4.6872 -4.6824 -4.5545 -4.5466 -3.9228 -3.9215 -3.6778 -3.6764 -3.4543 -3.4534 -3.1020 -3.0990 -0.4882 -0.4868 0.5334 0.5365 1.9785 1.9812 2.0816 2.0827 2.6754 2.6770 3.2887 3.2903 3.8452 3.8465 k = 0.1500-0.0207-0.0148 ( 15031 PWs) bands (ev): -26.5524 -26.5524 -24.9241 -24.9241 -24.5250 -24.5250 -24.1386 -24.1386 -23.5838 -23.5838 -22.4350 -22.4350 -19.9570 -19.9569 -17.6542 -17.6542 -14.5522 -14.5520 -13.2540 -13.2538 -12.6539 -12.6537 -11.0236 -11.0232 -9.4076 -9.4072 -8.7898 -8.7880 -8.4602 -8.4594 -8.1920 -8.1886 -8.0882 -8.0853 -7.9111 -7.9088 -7.3473 -7.3465 -6.7818 -6.7800 -5.8178 -5.8150 -5.7620 -5.7589 -5.5619 -5.5611 -5.3623 -5.3597 -5.0991 -5.0958 -4.9117 -4.8990 -4.8665 -4.8596 -4.6805 -4.6760 -4.5520 -4.5445 -3.9232 -3.9220 -3.6778 -3.6765 -3.4533 -3.4525 -3.1010 -3.0981 -0.4778 -0.4765 0.5384 0.5413 1.9816 1.9842 2.0801 2.0811 2.6577 2.6592 3.2772 3.2787 3.8532 3.8543 k = 0.1333-0.0184-0.0132 ( 15021 PWs) bands (ev): -26.5526 -26.5526 -24.9241 -24.9241 -24.5248 -24.5248 -24.1385 -24.1385 -23.5846 -23.5846 -22.4347 -22.4347 -19.9558 -19.9558 -17.6534 -17.6534 -14.5536 -14.5534 -13.2541 -13.2539 -12.6548 -12.6547 -11.0218 -11.0214 -9.4097 -9.4093 -8.7909 -8.7893 -8.4521 -8.4514 -8.1945 -8.1912 -8.0895 -8.0869 -7.9127 -7.9106 -7.3478 -7.3471 -6.7851 -6.7834 -5.8202 -5.8173 -5.7636 -5.7611 -5.5628 -5.5621 -5.3648 -5.3625 -5.1020 -5.0991 -4.9097 -4.8985 -4.8669 -4.8611 -4.6740 -4.6699 -4.5497 -4.5428 -3.9235 -3.9224 -3.6777 -3.6765 -3.4524 -3.4517 -3.0999 -3.0973 -0.4681 -0.4669 0.5431 0.5457 1.9845 1.9868 2.0786 2.0795 2.6416 2.6430 3.2670 3.2683 3.8609 3.8619 k = 0.1167-0.0161-0.0115 ( 15025 PWs) bands (ev): -26.5527 -26.5527 -24.9242 -24.9242 -24.5245 -24.5245 -24.1384 -24.1384 -23.5853 -23.5853 -22.4345 -22.4344 -19.9548 -19.9548 -17.6526 -17.6526 -14.5549 -14.5548 -13.2543 -13.2541 -12.6557 -12.6555 -11.0202 -11.0198 -9.4116 -9.4112 -8.7919 -8.7904 -8.4444 -8.4438 -8.1970 -8.1940 -8.0907 -8.0883 -7.9142 -7.9123 -7.3483 -7.3476 -6.7879 -6.7864 -5.8231 -5.8204 -5.7643 -5.7623 -5.5633 -5.5628 -5.3671 -5.3651 -5.1049 -5.1024 -4.9078 -4.8980 -4.8671 -4.8624 -4.6679 -4.6641 -4.5476 -4.5414 -3.9238 -3.9228 -3.6776 -3.6765 -3.4516 -3.4510 -3.0990 -3.0966 -0.4593 -0.4582 0.5473 0.5498 1.9870 1.9891 2.0772 2.0780 2.6273 2.6285 3.2580 3.2591 3.8682 3.8691 k = 0.1000-0.0138-0.0099 ( 15030 PWs) bands (ev): -26.5529 -26.5529 -24.9242 -24.9242 -24.5243 -24.5243 -24.1383 -24.1383 -23.5859 -23.5859 -22.4342 -22.4342 -19.9539 -19.9539 -17.6520 -17.6519 -14.5561 -14.5559 -13.2544 -13.2542 -12.6565 -12.6563 -11.0187 -11.0184 -9.4132 -9.4129 -8.7927 -8.7915 -8.4373 -8.4368 -8.1995 -8.1969 -8.0917 -8.0896 -7.9156 -7.9139 -7.3487 -7.3481 -6.7903 -6.7889 -5.8263 -5.8238 -5.7645 -5.7629 -5.5637 -5.5633 -5.3693 -5.3675 -5.1077 -5.1055 -4.9060 -4.8977 -4.8673 -4.8636 -4.6622 -4.6589 -4.5458 -4.5403 -3.9241 -3.9232 -3.6775 -3.6766 -3.4509 -3.4503 -3.0981 -3.0960 -0.4515 -0.4505 0.5512 0.5533 1.9893 1.9911 2.0759 2.0765 2.6147 2.6158 3.2503 3.2512 3.8749 3.8757 k = 0.0833-0.0115-0.0082 ( 15024 PWs) bands (ev): -26.5530 -26.5530 -24.9242 -24.9242 -24.5241 -24.5241 -24.1383 -24.1383 -23.5864 -23.5864 -22.4340 -22.4340 -19.9531 -19.9531 -17.6514 -17.6514 -14.5570 -14.5569 -13.2544 -13.2543 -12.6571 -12.6570 -11.0174 -11.0172 -9.4147 -9.4144 -8.7934 -8.7924 -8.4309 -8.4305 -8.2020 -8.1997 -8.0924 -8.0907 -7.9168 -7.9154 -7.3490 -7.3485 -6.7922 -6.7910 -5.8295 -5.8272 -5.7643 -5.7631 -5.5639 -5.5636 -5.3712 -5.3697 -5.1103 -5.1084 -4.9044 -4.8976 -4.8673 -4.8645 -4.6572 -4.6544 -4.5442 -4.5394 -3.9243 -3.9235 -3.6774 -3.6766 -3.4502 -3.4497 -3.0973 -3.0955 -0.4447 -0.4439 0.5546 0.5564 1.9911 1.9927 2.0746 2.0752 2.6040 2.6049 3.2437 3.2445 3.8810 3.8816 k = 0.0667-0.0092-0.0066 ( 15010 PWs) bands (ev): -26.5531 -26.5531 -24.9242 -24.9242 -24.5239 -24.5239 -24.1382 -24.1382 -23.5869 -23.5869 -22.4338 -22.4338 -19.9525 -19.9524 -17.6509 -17.6509 -14.5579 -14.5578 -13.2545 -13.2544 -12.6577 -12.6576 -11.0163 -11.0161 -9.4159 -9.4157 -8.7940 -8.7932 -8.4253 -8.4251 -8.2042 -8.2023 -8.0930 -8.0917 -7.9178 -7.9166 -7.3493 -7.3489 -6.7937 -6.7927 -5.8323 -5.8304 -5.7639 -5.7630 -5.5639 -5.5637 -5.3728 -5.3716 -5.1125 -5.1110 -4.9030 -4.8976 -4.8673 -4.8652 -4.6528 -4.6505 -4.5429 -4.5389 -3.9244 -3.9238 -3.6773 -3.6766 -3.4496 -3.4492 -3.0965 -3.0951 -0.4390 -0.4383 0.5575 0.5589 1.9927 1.9940 2.0736 2.0740 2.5952 2.5960 3.2385 3.2391 3.8861 3.8866 k = 0.0500-0.0069-0.0049 ( 15004 PWs) bands (ev): -26.5532 -26.5532 -24.9242 -24.9242 -24.5238 -24.5238 -24.1382 -24.1382 -23.5872 -23.5872 -22.4337 -22.4337 -19.9519 -19.9519 -17.6505 -17.6505 -14.5585 -14.5585 -13.2546 -13.2545 -12.6581 -12.6580 -11.0155 -11.0153 -9.4168 -9.4166 -8.7944 -8.7938 -8.4208 -8.4206 -8.2060 -8.2045 -8.0935 -8.0924 -7.9185 -7.9176 -7.3495 -7.3492 -6.7948 -6.7940 -5.8347 -5.8332 -5.7635 -5.7628 -5.5639 -5.5637 -5.3740 -5.3731 -5.1142 -5.1131 -4.9018 -4.8978 -4.8672 -4.8657 -4.6493 -4.6475 -4.5417 -4.5387 -3.9245 -3.9240 -3.6772 -3.6767 -3.4492 -3.4489 -3.0959 -3.0948 -0.4345 -0.4340 0.5598 0.5609 1.9939 1.9949 2.0727 2.0730 2.5883 2.5889 3.2344 3.2348 3.8902 3.8906 k = 0.0333-0.0046-0.0033 ( 14997 PWs) bands (ev): -26.5532 -26.5532 -24.9242 -24.9242 -24.5237 -24.5237 -24.1382 -24.1382 -23.5875 -23.5875 -22.4336 -22.4336 -19.9516 -19.9516 -17.6502 -17.6502 -14.5590 -14.5589 -13.2546 -13.2545 -12.6584 -12.6584 -11.0148 -11.0147 -9.4175 -9.4174 -8.7947 -8.7943 -8.4175 -8.4174 -8.2073 -8.2063 -8.0937 -8.0930 -7.9190 -7.9184 -7.3496 -7.3494 -6.7955 -6.7950 -5.8363 -5.8354 -5.7631 -5.7626 -5.5638 -5.5637 -5.3749 -5.3743 -5.1155 -5.1147 -4.9008 -4.8981 -4.8671 -4.8662 -4.6466 -4.6454 -4.5407 -4.5387 -3.9245 -3.9242 -3.6771 -3.6767 -3.4488 -3.4486 -3.0954 -3.0947 -0.4312 -0.4309 0.5615 0.5623 1.9949 1.9955 2.0721 2.0723 2.5834 2.5838 3.2315 3.2318 3.8933 3.8936 k = 0.0167-0.0023-0.0016 ( 15007 PWs) bands (ev): -26.5532 -26.5532 -24.9242 -24.9242 -24.5236 -24.5236 -24.1381 -24.1381 -23.5876 -23.5876 -22.4335 -22.4335 -19.9513 -19.9513 -17.6501 -17.6501 -14.5593 -14.5592 -13.2546 -13.2546 -12.6586 -12.6586 -11.0144 -11.0144 -9.4179 -9.4178 -8.7949 -8.7946 -8.4154 -8.4154 -8.2080 -8.2075 -8.0938 -8.0935 -7.9193 -7.9190 -7.3496 -7.3495 -6.7959 -6.7956 -5.8373 -5.8368 -5.7628 -5.7626 -5.5638 -5.5637 -5.3754 -5.3751 -5.1162 -5.1158 -4.8999 -4.8985 -4.8669 -4.8665 -4.6448 -4.6442 -4.5399 -4.5389 -3.9245 -3.9244 -3.6770 -3.6768 -3.4486 -3.4485 -3.0950 -3.0947 -0.4292 -0.4290 0.5626 0.5630 1.9955 1.9958 2.0717 2.0718 2.5805 2.5807 3.2298 3.2300 3.8952 3.8953 k = 0.0000 0.0000 0.0000 ( 15013 PWs) bands (ev): -26.5533 -26.5533 -24.9242 -24.9242 -24.5236 -24.5236 -24.1381 -24.1381 -23.5877 -23.5877 -22.4335 -22.4335 -19.9513 -19.9513 -17.6500 -17.6500 -14.5594 -14.5594 -13.2546 -13.2546 -12.6586 -12.6586 -11.0143 -11.0143 -9.4180 -9.4180 -8.7948 -8.7948 -8.4147 -8.4147 -8.2081 -8.2081 -8.0937 -8.0937 -7.9192 -7.9192 -7.3496 -7.3496 -6.7959 -6.7959 -5.8375 -5.8375 -5.7626 -5.7626 -5.5637 -5.5637 -5.3754 -5.3754 -5.1163 -5.1163 -4.8991 -4.8991 -4.8667 -4.8667 -4.6440 -4.6440 -4.5393 -4.5393 -3.9245 -3.9245 -3.6769 -3.6769 -3.4485 -3.4485 -3.0948 -3.0948 -0.4285 -0.4285 0.5631 0.5631 1.9958 1.9958 2.0716 2.0716 2.5796 2.5796 3.2293 3.2293 3.8959 3.8959 k = 0.0000 0.0000 0.0000 ( 15013 PWs) bands (ev): -26.5533 -26.5533 -24.9242 -24.9242 -24.5236 -24.5236 -24.1381 -24.1381 -23.5877 -23.5877 -22.4335 -22.4335 -19.9513 -19.9513 -17.6500 -17.6500 -14.5594 -14.5594 -13.2546 -13.2546 -12.6586 -12.6586 -11.0143 -11.0143 -9.4180 -9.4180 -8.7948 -8.7948 -8.4147 -8.4147 -8.2081 -8.2081 -8.0937 -8.0937 -7.9192 -7.9192 -7.3496 -7.3496 -6.7959 -6.7959 -5.8375 -5.8375 -5.7626 -5.7626 -5.5637 -5.5637 -5.3754 -5.3754 -5.1163 -5.1163 -4.8991 -4.8991 -4.8667 -4.8667 -4.6440 -4.6440 -4.5393 -4.5393 -3.9245 -3.9245 -3.6769 -3.6769 -3.4485 -3.4485 -3.0948 -3.0948 -0.4285 -0.4285 0.5631 0.5631 1.9958 1.9958 2.0716 2.0716 2.5796 2.5796 3.2293 3.2293 3.8959 3.8959 k = 0.0000 0.0170-0.0010 ( 15008 PWs) bands (ev): -26.5533 -26.5533 -24.9243 -24.9243 -24.5236 -24.5236 -24.1381 -24.1381 -23.5877 -23.5877 -22.4335 -22.4335 -19.9513 -19.9513 -17.6500 -17.6500 -14.5594 -14.5594 -13.2546 -13.2546 -12.6587 -12.6586 -11.0143 -11.0143 -9.4178 -9.4177 -8.7950 -8.7950 -8.4149 -8.4144 -8.2088 -8.2082 -8.0938 -8.0934 -7.9192 -7.9190 -7.3502 -7.3500 -6.7957 -6.7955 -5.8369 -5.8368 -5.7625 -5.7624 -5.5638 -5.5637 -5.3759 -5.3758 -5.1164 -5.1158 -4.9042 -4.8954 -4.8707 -4.8617 -4.6445 -4.6438 -4.5396 -4.5393 -3.9244 -3.9243 -3.6770 -3.6768 -3.4486 -3.4485 -3.0948 -3.0947 -0.4286 -0.4286 0.5631 0.5631 1.9954 1.9958 2.0715 2.0719 2.5804 2.5805 3.2297 3.2297 3.8955 3.8956 k = 0.0000 0.0340-0.0020 ( 15014 PWs) bands (ev): -26.5532 -26.5532 -24.9243 -24.9243 -24.5236 -24.5236 -24.1381 -24.1381 -23.5876 -23.5876 -22.4335 -22.4335 -19.9513 -19.9513 -17.6500 -17.6500 -14.5594 -14.5594 -13.2547 -13.2547 -12.6587 -12.6586 -11.0142 -11.0141 -9.4172 -9.4170 -8.7956 -8.7954 -8.4148 -8.4139 -8.2102 -8.2090 -8.0937 -8.0928 -7.9190 -7.9185 -7.3517 -7.3514 -6.7948 -6.7945 -5.8351 -5.8349 -5.7620 -5.7620 -5.5641 -5.5639 -5.3773 -5.3771 -5.1162 -5.1151 -4.9099 -4.8944 -4.8724 -4.8565 -4.6451 -4.6437 -4.5403 -4.5396 -3.9241 -3.9238 -3.6771 -3.6767 -3.4487 -3.4485 -3.0946 -3.0944 -0.4291 -0.4290 0.5631 0.5632 1.9947 1.9955 2.0715 2.0725 2.5828 2.5830 3.2309 3.2310 3.8946 3.8948 k = 0.0000 0.0510-0.0030 ( 15014 PWs) bands (ev): -26.5532 -26.5532 -24.9245 -24.9245 -24.5235 -24.5235 -24.1382 -24.1382 -23.5875 -23.5875 -22.4335 -22.4335 -19.9513 -19.9513 -17.6501 -17.6501 -14.5594 -14.5594 -13.2548 -13.2547 -12.6587 -12.6586 -11.0140 -11.0140 -9.4162 -9.4160 -8.7965 -8.7962 -8.4146 -8.4132 -8.2122 -8.2105 -8.0934 -8.0920 -7.9184 -7.9177 -7.3541 -7.3537 -6.7934 -6.7929 -5.8321 -5.8318 -5.7613 -5.7612 -5.5644 -5.5641 -5.3796 -5.3792 -5.1157 -5.1141 -4.9159 -4.8968 -4.8711 -4.8513 -4.6459 -4.6438 -4.5411 -4.5401 -3.9234 -3.9230 -3.6773 -3.6766 -3.4489 -3.4487 -3.0943 -3.0941 -0.4298 -0.4298 0.5631 0.5631 1.9936 1.9948 2.0718 2.0732 2.5867 2.5870 3.2329 3.2332 3.8930 3.8934 k = 0.0000 0.0680-0.0040 ( 15020 PWs) bands (ev): -26.5532 -26.5532 -24.9246 -24.9246 -24.5235 -24.5235 -24.1382 -24.1382 -23.5874 -23.5874 -22.4335 -22.4335 -19.9513 -19.9513 -17.6501 -17.6501 -14.5594 -14.5594 -13.2549 -13.2548 -12.6588 -12.6587 -11.0137 -11.0137 -9.4148 -9.4145 -8.7976 -8.7973 -8.4142 -8.4123 -8.2149 -8.2127 -8.0928 -8.0911 -7.9177 -7.9167 -7.3573 -7.3569 -6.7914 -6.7908 -5.8280 -5.8275 -5.7603 -5.7601 -5.5648 -5.5644 -5.3827 -5.3822 -5.1149 -5.1128 -4.9221 -4.9014 -4.8678 -4.8463 -4.6469 -4.6442 -4.5422 -4.5409 -3.9225 -3.9219 -3.6774 -3.6765 -3.4492 -3.4489 -3.0939 -3.0936 -0.4309 -0.4308 0.5630 0.5631 1.9922 1.9938 2.0723 2.0740 2.5922 2.5926 3.2358 3.2361 3.8909 3.8914 k = 0.0000 0.0850-0.0049 ( 15021 PWs) bands (ev): -26.5532 -26.5532 -24.9248 -24.9248 -24.5234 -24.5234 -24.1382 -24.1382 -23.5873 -23.5873 -22.4335 -22.4335 -19.9513 -19.9513 -17.6502 -17.6502 -14.5594 -14.5594 -13.2550 -13.2549 -12.6588 -12.6587 -11.0134 -11.0134 -9.4130 -9.4126 -8.7991 -8.7987 -8.4136 -8.4113 -8.2182 -8.2155 -8.0921 -8.0900 -7.9167 -7.9155 -7.3613 -7.3608 -6.7890 -6.7883 -5.8227 -5.8221 -5.7590 -5.7588 -5.5653 -5.5649 -5.3867 -5.3861 -5.1137 -5.1112 -4.9283 -4.9070 -4.8640 -4.8416 -4.6481 -4.6448 -4.5435 -4.5419 -3.9213 -3.9206 -3.6775 -3.6765 -3.4496 -3.4492 -3.0934 -3.0930 -0.4321 -0.4320 0.5630 0.5631 1.9905 1.9924 2.0729 2.0750 2.5992 2.5997 3.2395 3.2399 3.8881 3.8887 k = 0.0000 0.1020-0.0059 ( 15013 PWs) bands (ev): -26.5531 -26.5531 -24.9251 -24.9251 -24.5233 -24.5233 -24.1383 -24.1383 -23.5871 -23.5871 -22.4335 -22.4335 -19.9513 -19.9513 -17.6502 -17.6502 -14.5594 -14.5594 -13.2551 -13.2550 -12.6589 -12.6587 -11.0130 -11.0130 -9.4109 -9.4104 -8.8008 -8.8003 -8.4128 -8.4101 -8.2220 -8.2189 -8.0912 -8.0889 -7.9155 -7.9142 -7.3659 -7.3653 -6.7862 -6.7853 -5.8164 -5.8157 -5.7574 -5.7572 -5.5659 -5.5654 -5.3915 -5.3909 -5.1123 -5.1094 -4.9345 -4.9131 -4.8600 -4.8374 -4.6494 -4.6455 -4.5449 -4.5430 -3.9200 -3.9191 -3.6777 -3.6765 -3.4500 -3.4496 -3.0928 -3.0924 -0.4337 -0.4335 0.5630 0.5631 1.9886 1.9908 2.0738 2.0762 2.6076 2.6082 3.2441 3.2445 3.8847 3.8855 k = 0.0000 0.1190-0.0069 ( 15016 PWs) bands (ev): -26.5530 -26.5530 -24.9253 -24.9253 -24.5232 -24.5232 -24.1383 -24.1383 -23.5869 -23.5869 -22.4335 -22.4335 -19.9513 -19.9513 -17.6503 -17.6503 -14.5594 -14.5594 -13.2553 -13.2552 -12.6589 -12.6588 -11.0126 -11.0126 -9.4085 -9.4080 -8.8027 -8.8022 -8.4119 -8.4088 -8.2262 -8.2227 -8.0902 -8.0877 -7.9141 -7.9127 -7.3709 -7.3703 -6.7830 -6.7821 -5.8092 -5.8083 -5.7556 -5.7554 -5.5665 -5.5660 -5.3972 -5.3964 -5.1106 -5.1073 -4.9404 -4.9192 -4.8563 -4.8336 -4.6508 -4.6465 -4.5463 -4.5442 -3.9184 -3.9175 -3.6778 -3.6765 -3.4504 -3.4499 -3.0921 -3.0916 -0.4354 -0.4352 0.5629 0.5631 1.9865 1.9889 2.0748 2.0774 2.6173 2.6180 3.2494 3.2500 3.8807 3.8816 k = 0.0000 0.1360-0.0079 ( 15013 PWs) bands (ev): -26.5530 -26.5530 -24.9256 -24.9256 -24.5231 -24.5231 -24.1383 -24.1383 -23.5867 -23.5867 -22.4335 -22.4335 -19.9513 -19.9513 -17.6504 -17.6504 -14.5594 -14.5593 -13.2555 -13.2554 -12.6590 -12.6588 -11.0121 -11.0121 -9.4058 -9.4052 -8.8048 -8.8043 -8.4108 -8.4073 -8.2307 -8.2270 -8.0892 -8.0865 -7.9127 -7.9111 -7.3764 -7.3756 -6.7796 -6.7787 -5.8012 -5.8001 -5.7535 -5.7531 -5.5673 -5.5666 -5.4036 -5.4028 -5.1086 -5.1050 -4.9462 -4.9252 -4.8530 -4.8303 -4.6524 -4.6477 -4.5478 -4.5456 -3.9167 -3.9157 -3.6780 -3.6765 -3.4509 -3.4504 -3.0914 -3.0908 -0.4372 -0.4371 0.5629 0.5630 1.9843 1.9867 2.0760 2.0787 2.6282 2.6289 3.2557 3.2563 3.8760 3.8771 k = 0.0000 0.1531-0.0089 ( 15013 PWs) bands (ev): -26.5529 -26.5529 -24.9260 -24.9259 -24.5230 -24.5230 -24.1384 -24.1384 -23.5864 -23.5864 -22.4335 -22.4335 -19.9513 -19.9513 -17.6505 -17.6505 -14.5594 -14.5593 -13.2557 -13.2556 -12.6590 -12.6589 -11.0117 -11.0116 -9.4029 -9.4023 -8.8071 -8.8065 -8.4095 -8.4058 -8.2355 -8.2315 -8.0881 -8.0854 -7.9111 -7.9095 -7.3820 -7.3812 -6.7761 -6.7752 -5.7926 -5.7913 -5.7510 -5.7505 -5.5680 -5.5673 -5.4108 -5.4100 -5.1064 -5.1025 -4.9516 -4.9310 -4.8500 -4.8277 -4.6540 -4.6490 -4.5493 -4.5469 -3.9149 -3.9138 -3.6781 -3.6766 -3.4514 -3.4509 -3.0905 -3.0899 -0.4392 -0.4391 0.5628 0.5630 1.9819 1.9844 2.0772 2.0800 2.6400 2.6408 3.2627 3.2634 3.8705 3.8718 k = 0.0000 0.1701-0.0099 ( 15017 PWs) bands (ev): -26.5529 -26.5529 -24.9263 -24.9263 -24.5229 -24.5229 -24.1384 -24.1384 -23.5862 -23.5862 -22.4335 -22.4335 -19.9513 -19.9513 -17.6506 -17.6506 -14.5593 -14.5593 -13.2558 -13.2557 -12.6591 -12.6589 -11.0111 -11.0111 -9.3999 -9.3992 -8.8094 -8.8088 -8.4081 -8.4041 -8.2405 -8.2364 -8.0870 -8.0843 -7.9095 -7.9078 -7.3877 -7.3869 -6.7726 -6.7716 -5.7838 -5.7823 -5.7480 -5.7472 -5.5688 -5.5680 -5.4188 -5.4179 -5.1040 -5.1000 -4.9566 -4.9365 -4.8476 -4.8256 -4.6557 -4.6505 -4.5506 -4.5481 -3.9130 -3.9118 -3.6783 -3.6767 -3.4519 -3.4513 -3.0896 -3.0890 -0.4413 -0.4412 0.5628 0.5630 1.9794 1.9820 2.0786 2.0814 2.6527 2.6536 3.2706 3.2714 3.8642 3.8656 k = 0.0000 0.1871-0.0109 ( 15018 PWs) bands (ev): -26.5528 -26.5528 -24.9266 -24.9266 -24.5227 -24.5227 -24.1385 -24.1385 -23.5859 -23.5859 -22.4335 -22.4335 -19.9514 -19.9514 -17.6507 -17.6507 -14.5593 -14.5593 -13.2560 -13.2559 -12.6592 -12.6590 -11.0106 -11.0106 -9.3967 -9.3961 -8.8118 -8.8111 -8.4066 -8.4024 -8.2457 -8.2414 -8.0859 -8.0832 -7.9079 -7.9062 -7.3933 -7.3925 -6.7690 -6.7680 -5.7753 -5.7735 -5.7441 -5.7428 -5.5696 -5.5687 -5.4274 -5.4264 -5.1015 -5.0974 -4.9611 -4.9416 -4.8456 -4.8241 -4.6573 -4.6522 -4.5518 -4.5494 -3.9111 -3.9099 -3.6785 -3.6768 -3.4524 -3.4518 -3.0887 -3.0881 -0.4434 -0.4433 0.5627 0.5629 1.9770 1.9795 2.0800 2.0828 2.6661 2.6670 3.2793 3.2801 3.8569 3.8584 k = 0.0000 0.2041-0.0119 ( 15021 PWs) bands (ev): -26.5527 -26.5527 -24.9270 -24.9270 -24.5226 -24.5226 -24.1385 -24.1385 -23.5857 -23.5857 -22.4335 -22.4335 -19.9514 -19.9514 -17.6508 -17.6508 -14.5593 -14.5593 -13.2562 -13.2561 -12.6592 -12.6590 -11.0101 -11.0101 -9.3936 -9.3929 -8.8142 -8.8135 -8.4049 -8.4006 -8.2508 -8.2464 -8.0848 -8.0822 -7.9063 -7.9046 -7.3988 -7.3980 -6.7656 -6.7646 -5.7678 -5.7658 -5.7387 -5.7369 -5.5704 -5.5692 -5.4367 -5.4356 -5.0990 -5.0949 -4.9650 -4.9463 -4.8440 -4.8233 -4.6589 -4.6539 -4.5529 -4.5505 -3.9092 -3.9080 -3.6787 -3.6770 -3.4528 -3.4523 -3.0878 -3.0872 -0.4456 -0.4454 0.5627 0.5629 1.9746 1.9770 2.0814 2.0841 2.6798 2.6807 3.2888 3.2897 3.8484 3.8501 k = 0.0000 0.2211-0.0129 ( 15024 PWs) bands (ev): -26.5527 -26.5527 -24.9273 -24.9273 -24.5225 -24.5225 -24.1386 -24.1386 -23.5854 -23.5854 -22.4335 -22.4335 -19.9514 -19.9514 -17.6508 -17.6508 -14.5593 -14.5593 -13.2564 -13.2563 -12.6593 -12.6591 -11.0096 -11.0095 -9.3904 -9.3898 -8.8165 -8.8159 -8.4032 -8.3988 -8.2558 -8.2515 -8.0838 -8.0814 -7.9047 -7.9031 -7.4040 -7.4033 -6.7622 -6.7613 -5.7620 -5.7599 -5.7311 -5.7290 -5.5710 -5.5696 -5.4466 -5.4453 -5.0965 -5.0926 -4.9683 -4.9504 -4.8430 -4.8232 -4.6604 -4.6556 -4.5538 -4.5515 -3.9073 -3.9061 -3.6788 -3.6772 -3.4533 -3.4528 -3.0869 -3.0863 -0.4477 -0.4475 0.5626 0.5628 1.9722 1.9745 2.0829 2.0854 2.6936 2.6946 3.2992 3.3001 3.8387 3.8405 k = 0.0000 0.2381-0.0138 ( 15024 PWs) bands (ev): -26.5526 -26.5526 -24.9276 -24.9276 -24.5223 -24.5223 -24.1386 -24.1386 -23.5852 -23.5852 -22.4335 -22.4335 -19.9514 -19.9514 -17.6509 -17.6509 -14.5593 -14.5593 -13.2566 -13.2565 -12.6593 -12.6592 -11.0091 -11.0091 -9.3874 -9.3868 -8.8187 -8.8181 -8.4014 -8.3970 -8.2607 -8.2565 -8.0829 -8.0806 -7.9033 -7.9017 -7.4089 -7.4082 -6.7591 -6.7583 -5.7577 -5.7557 -5.7216 -5.7194 -5.5715 -5.5699 -5.4569 -5.4556 -5.0942 -5.0905 -4.9708 -4.9540 -4.8423 -4.8236 -4.6618 -4.6573 -4.5545 -4.5524 -3.9055 -3.9044 -3.6790 -3.6775 -3.4537 -3.4533 -3.0860 -3.0854 -0.4497 -0.4495 0.5626 0.5628 1.9700 1.9722 2.0843 2.0866 2.7073 2.7082 3.3102 3.3113 3.8276 3.8295 k = 0.0000 0.2551-0.0148 ( 15025 PWs) bands (ev): -26.5526 -26.5526 -24.9279 -24.9279 -24.5222 -24.5222 -24.1387 -24.1387 -23.5850 -23.5850 -22.4335 -22.4335 -19.9514 -19.9514 -17.6510 -17.6510 -14.5593 -14.5593 -13.2568 -13.2567 -12.6594 -12.6592 -11.0086 -11.0086 -9.3845 -9.3839 -8.8208 -8.8202 -8.3995 -8.3953 -8.2653 -8.2613 -8.0820 -8.0799 -7.9019 -7.9005 -7.4133 -7.4127 -6.7563 -6.7555 -5.7545 -5.7529 -5.7109 -5.7087 -5.5718 -5.5698 -5.4677 -5.4661 -5.0920 -5.0886 -4.9726 -4.9571 -4.8419 -4.8246 -4.6630 -4.6589 -4.5551 -4.5531 -3.9038 -3.9028 -3.6792 -3.6777 -3.4541 -3.4537 -3.0851 -3.0846 -0.4515 -0.4514 0.5626 0.5627 1.9680 1.9699 2.0856 2.0878 2.7205 2.7214 3.3219 3.3230 3.8150 3.8169 k = 0.0000 0.2721-0.0158 ( 15018 PWs) bands (ev): -26.5525 -26.5525 -24.9282 -24.9282 -24.5221 -24.5221 -24.1387 -24.1387 -23.5848 -23.5848 -22.4335 -22.4335 -19.9514 -19.9514 -17.6511 -17.6511 -14.5593 -14.5593 -13.2570 -13.2569 -12.6594 -12.6593 -11.0082 -11.0082 -9.3818 -9.3813 -8.8227 -8.8222 -8.3977 -8.3938 -8.2696 -8.2658 -8.0812 -8.0793 -7.9007 -7.8994 -7.4172 -7.4167 -6.7538 -6.7531 -5.7522 -5.7509 -5.6997 -5.6975 -5.5718 -5.5695 -5.4788 -5.4770 -5.0902 -5.0871 -4.9736 -4.9596 -4.8417 -4.8261 -4.6640 -4.6604 -4.5555 -4.5538 -3.9023 -3.9014 -3.6793 -3.6780 -3.4545 -3.4541 -3.0843 -3.0839 -0.4532 -0.4531 0.5625 0.5627 1.9662 1.9679 2.0868 2.0887 2.7328 2.7337 3.3340 3.3351 3.8010 3.8029 k = 0.0000 0.2891-0.0168 ( 15016 PWs) bands (ev): -26.5525 -26.5525 -24.9284 -24.9284 -24.5220 -24.5220 -24.1387 -24.1387 -23.5846 -23.5846 -22.4335 -22.4335 -19.9514 -19.9514 -17.6512 -17.6512 -14.5593 -14.5593 -13.2571 -13.2570 -12.6594 -12.6593 -11.0078 -11.0078 -9.3794 -9.3790 -8.8244 -8.8239 -8.3959 -8.3924 -8.2733 -8.2699 -8.0804 -8.0789 -7.8996 -7.8985 -7.4206 -7.4201 -6.7515 -6.7510 -5.7505 -5.7494 -5.6887 -5.6865 -5.5714 -5.5687 -5.4899 -5.4879 -5.0886 -5.0860 -4.9739 -4.9617 -4.8416 -4.8279 -4.6649 -4.6618 -4.5558 -4.5543 -3.9010 -3.9001 -3.6794 -3.6782 -3.4548 -3.4545 -3.0836 -3.0832 -0.4547 -0.4546 0.5625 0.5626 1.9646 1.9660 2.0880 2.0896 2.7440 2.7448 3.3463 3.3472 3.7862 3.7880 k = 0.0000 0.3061-0.0178 ( 15015 PWs) bands (ev): -26.5524 -26.5524 -24.9286 -24.9286 -24.5220 -24.5220 -24.1388 -24.1388 -23.5845 -23.5845 -22.4335 -22.4335 -19.9514 -19.9514 -17.6512 -17.6512 -14.5593 -14.5593 -13.2572 -13.2571 -12.6595 -12.6594 -11.0075 -11.0075 -9.3774 -9.3770 -8.8258 -8.8254 -8.3942 -8.3912 -8.2765 -8.2736 -8.0798 -8.0785 -7.8987 -7.8978 -7.4234 -7.4230 -6.7497 -6.7492 -5.7492 -5.7483 -5.6783 -5.6762 -5.5704 -5.5673 -5.5008 -5.4986 -5.0873 -5.0852 -4.9737 -4.9634 -4.8414 -4.8300 -4.6655 -4.6630 -4.5560 -4.5548 -3.8998 -3.8991 -3.6794 -3.6785 -3.4550 -3.4548 -3.0830 -3.0827 -0.4560 -0.4559 0.5625 0.5626 1.9633 1.9644 2.0889 2.0903 2.7537 2.7544 3.3580 3.3589 3.7713 3.7728 k = 0.0000 0.3231-0.0188 ( 15019 PWs) bands (ev): -26.5524 -26.5524 -24.9288 -24.9288 -24.5219 -24.5219 -24.1388 -24.1388 -23.5843 -23.5843 -22.4335 -22.4335 -19.9514 -19.9514 -17.6513 -17.6513 -14.5593 -14.5593 -13.2573 -13.2572 -12.6595 -12.6594 -11.0073 -11.0072 -9.3758 -9.3755 -8.8269 -8.8266 -8.3927 -8.3903 -8.2790 -8.2767 -8.0793 -8.0783 -7.8980 -7.8972 -7.4256 -7.4253 -6.7482 -6.7478 -5.7482 -5.7475 -5.6691 -5.6673 -5.5687 -5.5655 -5.5111 -5.5087 -5.0863 -5.0847 -4.9729 -4.9649 -4.8410 -4.8322 -4.6659 -4.6640 -4.5561 -4.5552 -3.8988 -3.8983 -3.6795 -3.6787 -3.4552 -3.4550 -3.0826 -3.0823 -0.4570 -0.4570 0.5625 0.5625 1.9622 1.9631 2.0898 2.0908 2.7617 2.7622 3.3687 3.3695 3.7574 3.7586 k = 0.0000 0.3401-0.0198 ( 15026 PWs) bands (ev): -26.5524 -26.5524 -24.9289 -24.9289 -24.5219 -24.5219 -24.1388 -24.1388 -23.5843 -23.5843 -22.4335 -22.4335 -19.9514 -19.9514 -17.6513 -17.6513 -14.5593 -14.5593 -13.2574 -13.2573 -12.6595 -12.6594 -11.0071 -11.0071 -9.3745 -9.3743 -8.8277 -8.8275 -8.3915 -8.3898 -8.2807 -8.2791 -8.0789 -8.0782 -7.8974 -7.8969 -7.4272 -7.4270 -6.7471 -6.7469 -5.7475 -5.7470 -5.6617 -5.6603 -5.5662 -5.5633 -5.5200 -5.5178 -5.0856 -5.0844 -4.9718 -4.9663 -4.8404 -4.8343 -4.6661 -4.6649 -4.5561 -4.5555 -3.8981 -3.8978 -3.6795 -3.6790 -3.4553 -3.4552 -3.0822 -3.0820 -0.4578 -0.4577 0.5625 0.5625 1.9615 1.9621 2.0904 2.0911 2.7675 2.7679 3.3775 3.3780 3.7459 3.7468 k = 0.0000 0.3571-0.0208 ( 15026 PWs) bands (ev): -26.5524 -26.5524 -24.9289 -24.9289 -24.5218 -24.5218 -24.1388 -24.1388 -23.5842 -23.5842 -22.4335 -22.4335 -19.9514 -19.9514 -17.6513 -17.6513 -14.5593 -14.5593 -13.2574 -13.2574 -12.6595 -12.6594 -11.0070 -11.0070 -9.3738 -9.3737 -8.8282 -8.8281 -8.3905 -8.3897 -8.2815 -8.2807 -8.0785 -8.0782 -7.8970 -7.8967 -7.4281 -7.4280 -6.7464 -6.7463 -5.7470 -5.7468 -5.6568 -5.6561 -5.5633 -5.5614 -5.5263 -5.5248 -5.0850 -5.0844 -4.9705 -4.9677 -4.8394 -4.8363 -4.6661 -4.6655 -4.5560 -4.5557 -3.8976 -3.8975 -3.6794 -3.6792 -3.4554 -3.4553 -3.0819 -3.0818 -0.4582 -0.4582 0.5625 0.5625 1.9612 1.9615 2.0909 2.0912 2.7712 2.7714 3.3833 3.3835 3.7384 3.7389 k = 0.0000 0.3741-0.0218 ( 15024 PWs) bands (ev): -26.5523 -26.5523 -24.9290 -24.9290 -24.5218 -24.5218 -24.1388 -24.1388 -23.5842 -23.5842 -22.4335 -22.4335 -19.9514 -19.9514 -17.6513 -17.6513 -14.5593 -14.5593 -13.2574 -13.2574 -12.6595 -12.6595 -11.0069 -11.0069 -9.3735 -9.3735 -8.8283 -8.8283 -8.3899 -8.3899 -8.2816 -8.2816 -8.0783 -8.0783 -7.8968 -7.8968 -7.4284 -7.4284 -6.7461 -6.7461 -5.7468 -5.7468 -5.6549 -5.6549 -5.5613 -5.5613 -5.5281 -5.5281 -5.0846 -5.0846 -4.9691 -4.9691 -4.8380 -4.8380 -4.6659 -4.6659 -4.5559 -4.5559 -3.8974 -3.8974 -3.6793 -3.6793 -3.4554 -3.4554 -3.0818 -3.0818 -0.4583 -0.4583 0.5625 0.5625 1.9612 1.9612 2.0911 2.0911 2.7725 2.7725 3.3854 3.3854 3.7359 3.7359 k = 0.5000 0.3050-0.0711 ( 14984 PWs) bands (ev): -26.5485 -26.5485 -24.9272 -24.9272 -24.5278 -24.5278 -24.1391 -24.1391 -23.5696 -23.5696 -22.4409 -22.4409 -19.9783 -19.9783 -17.6697 -17.6697 -14.5242 -14.5242 -13.2493 -13.2493 -12.6452 -12.6452 -11.0517 -11.0517 -9.3394 -9.3394 -8.7525 -8.7525 -8.4692 -8.4692 -8.3980 -8.3980 -8.0452 -8.0452 -7.8767 -7.8767 -7.2351 -7.2351 -6.7666 -6.7666 -5.8333 -5.8333 -5.6784 -5.6784 -5.4986 -5.4986 -5.3147 -5.3147 -5.1490 -5.1490 -4.8901 -4.8901 -4.8610 -4.8610 -4.6996 -4.6996 -4.6179 -4.6179 -3.9191 -3.9191 -3.6689 -3.6689 -3.4661 -3.4661 -3.0854 -3.0854 -0.6837 -0.6837 0.4548 0.4548 1.9374 1.9374 2.0386 2.0386 3.0669 3.0669 3.4780 3.4780 4.3114 4.3114 k = 0.4857 0.2963-0.0690 ( 14994 PWs) bands (ev): -26.5485 -26.5485 -24.9272 -24.9272 -24.5278 -24.5278 -24.1391 -24.1391 -23.5697 -23.5697 -22.4409 -22.4409 -19.9783 -19.9783 -17.6696 -17.6696 -14.5243 -14.5242 -13.2493 -13.2493 -12.6452 -12.6452 -11.0517 -11.0516 -9.3395 -9.3395 -8.7532 -8.7525 -8.4698 -8.4688 -8.3975 -8.3970 -8.0455 -8.0453 -7.8770 -7.8767 -7.2360 -7.2357 -6.7661 -6.7657 -5.8334 -5.8331 -5.6780 -5.6778 -5.4988 -5.4987 -5.3153 -5.3147 -5.1495 -5.1488 -4.8941 -4.8865 -4.8651 -4.8569 -4.7000 -4.6993 -4.6180 -4.6176 -3.9191 -3.9190 -3.6690 -3.6688 -3.4661 -3.4660 -3.0856 -3.0854 -0.6833 -0.6832 0.4548 0.4551 1.9372 1.9378 2.0385 2.0392 3.0660 3.0661 3.4778 3.4780 4.3044 4.3049 k = 0.4714 0.2876-0.0670 ( 14981 PWs) bands (ev): -26.5485 -26.5485 -24.9272 -24.9271 -24.5278 -24.5278 -24.1391 -24.1391 -23.5698 -23.5698 -22.4409 -22.4409 -19.9781 -19.9781 -17.6695 -17.6695 -14.5245 -14.5244 -13.2493 -13.2493 -12.6452 -12.6451 -11.0515 -11.0514 -9.3399 -9.3398 -8.7545 -8.7532 -8.4704 -8.4684 -8.3957 -8.3947 -8.0462 -8.0457 -7.8776 -7.8770 -7.2384 -7.2378 -6.7642 -6.7635 -5.8332 -5.8326 -5.6766 -5.6764 -5.4995 -5.4992 -5.3163 -5.3152 -5.1504 -5.1491 -4.8984 -4.8839 -4.8689 -4.8530 -4.7005 -4.6993 -4.6176 -4.6169 -3.9192 -3.9189 -3.6691 -3.6688 -3.4660 -3.4658 -3.0859 -3.0855 -0.6820 -0.6817 0.4553 0.4559 1.9371 1.9381 2.0389 2.0402 3.0634 3.0635 3.4776 3.4780 4.2854 4.2864 k = 0.4571 0.2789-0.0650 ( 14982 PWs) bands (ev): -26.5486 -26.5486 -24.9271 -24.9271 -24.5278 -24.5278 -24.1391 -24.1391 -23.5699 -23.5699 -22.4408 -22.4408 -19.9778 -19.9778 -17.6694 -17.6694 -14.5248 -14.5248 -13.2494 -13.2493 -12.6451 -12.6450 -11.0513 -11.0512 -9.3404 -9.3403 -8.7565 -8.7546 -8.4711 -8.4682 -8.3924 -8.3909 -8.0471 -8.0464 -7.8784 -7.8776 -7.2422 -7.2413 -6.7612 -6.7601 -5.8327 -5.8319 -5.6743 -5.6740 -5.5005 -5.5002 -5.3179 -5.3162 -5.1516 -5.1498 -4.9028 -4.8831 -4.8712 -4.8494 -4.7012 -4.6993 -4.6170 -4.6160 -3.9192 -3.9187 -3.6693 -3.6689 -3.4658 -3.4655 -3.0863 -3.0857 -0.6796 -0.6792 0.4562 0.4571 1.9370 1.9386 2.0398 2.0417 3.0591 3.0593 3.4771 3.4777 4.2578 4.2592 k = 0.4429 0.2702-0.0630 ( 14981 PWs) bands (ev): -26.5486 -26.5486 -24.9271 -24.9271 -24.5277 -24.5277 -24.1391 -24.1391 -23.5702 -23.5702 -22.4407 -22.4407 -19.9775 -19.9775 -17.6691 -17.6691 -14.5253 -14.5253 -13.2495 -13.2494 -12.6450 -12.6449 -11.0509 -11.0508 -9.3412 -9.3410 -8.7591 -8.7566 -8.4717 -8.4683 -8.3877 -8.3859 -8.0483 -8.0473 -7.8795 -7.8784 -7.2473 -7.2462 -6.7571 -6.7558 -5.8320 -5.8310 -5.6712 -5.6708 -5.5020 -5.5015 -5.3199 -5.3178 -5.1531 -5.1509 -4.9074 -4.8853 -4.8710 -4.8462 -4.7020 -4.6994 -4.6160 -4.6149 -3.9191 -3.9186 -3.6696 -3.6689 -3.4654 -3.4651 -3.0868 -3.0861 -0.6764 -0.6758 0.4574 0.4586 1.9370 1.9390 2.0412 2.0436 3.0531 3.0534 3.4764 3.4773 4.2249 4.2264 k = 0.4286 0.2614-0.0609 ( 14982 PWs) bands (ev): -26.5487 -26.5487 -24.9271 -24.9271 -24.5276 -24.5276 -24.1391 -24.1391 -23.5705 -23.5705 -22.4406 -22.4406 -19.9770 -19.9770 -17.6688 -17.6688 -14.5260 -14.5259 -13.2495 -13.2495 -12.6449 -12.6448 -11.0505 -11.0503 -9.3421 -9.3420 -8.7621 -8.7592 -8.4724 -8.4686 -8.3817 -8.3797 -8.0498 -8.0486 -7.8809 -7.8795 -7.2535 -7.2521 -6.7522 -6.7506 -5.8311 -5.8298 -5.6673 -5.6667 -5.5039 -5.5033 -5.3224 -5.3199 -5.1548 -5.1522 -4.9120 -4.8894 -4.8692 -4.8434 -4.7027 -4.6996 -4.6148 -4.6137 -3.9190 -3.9184 -3.6698 -3.6690 -3.4650 -3.4646 -3.0874 -3.0865 -0.6722 -0.6715 0.4591 0.4606 1.9371 1.9394 2.0431 2.0459 3.0454 3.0459 3.4754 3.4764 4.1891 4.1909 k = 0.4143 0.2527-0.0589 ( 14984 PWs) bands (ev): -26.5488 -26.5488 -24.9270 -24.9270 -24.5276 -24.5276 -24.1390 -24.1390 -23.5708 -23.5708 -22.4404 -22.4404 -19.9764 -19.9764 -17.6685 -17.6685 -14.5267 -14.5266 -13.2496 -13.2495 -12.6448 -12.6447 -11.0499 -11.0497 -9.3433 -9.3431 -8.7655 -8.7622 -8.4731 -8.4691 -8.3745 -8.3723 -8.0515 -8.0501 -7.8824 -7.8808 -7.2607 -7.2591 -6.7468 -6.7449 -5.8300 -5.8285 -5.6626 -5.6620 -5.5064 -5.5056 -5.3253 -5.3225 -5.1565 -5.1538 -4.9164 -4.8939 -4.8671 -4.8411 -4.7034 -4.6997 -4.6135 -4.6125 -3.9189 -3.9181 -3.6701 -3.6692 -3.4645 -3.4640 -3.0882 -3.0871 -0.6671 -0.6662 0.4612 0.4629 1.9373 1.9399 2.0455 2.0485 3.0361 3.0367 3.4739 3.4751 4.1523 4.1543 k = 0.4000 0.2440-0.0569 ( 14985 PWs) bands (ev): -26.5489 -26.5489 -24.9270 -24.9270 -24.5275 -24.5275 -24.1390 -24.1390 -23.5712 -23.5712 -22.4402 -22.4402 -19.9758 -19.9758 -17.6681 -17.6680 -14.5276 -14.5275 -13.2498 -13.2497 -12.6448 -12.6446 -11.0493 -11.0490 -9.3447 -9.3445 -8.7692 -8.7655 -8.4739 -8.4697 -8.3663 -8.3638 -8.0534 -8.0519 -7.8841 -7.8823 -7.2686 -7.2668 -6.7410 -6.7389 -5.8287 -5.8269 -5.6574 -5.6567 -5.5094 -5.5084 -5.3287 -5.3256 -5.1582 -5.1554 -4.9206 -4.8985 -4.8651 -4.8392 -4.7039 -4.6998 -4.6120 -4.6113 -3.9188 -3.9179 -3.6704 -3.6694 -3.4640 -3.4634 -3.0890 -3.0877 -0.6612 -0.6602 0.4636 0.4656 1.9376 1.9403 2.0482 2.0515 3.0252 3.0259 3.4717 3.4732 4.1158 4.1179 k = 0.3857 0.2353-0.0548 ( 14989 PWs) bands (ev): -26.5491 -26.5491 -24.9269 -24.9269 -24.5273 -24.5273 -24.1390 -24.1390 -23.5717 -23.5717 -22.4400 -22.4400 -19.9750 -19.9750 -17.6676 -17.6675 -14.5286 -14.5284 -13.2499 -13.2498 -12.6447 -12.6445 -11.0485 -11.0482 -9.3464 -9.3462 -8.7730 -8.7690 -8.4746 -8.4705 -8.3573 -8.3545 -8.0555 -8.0538 -7.8859 -7.8839 -7.2771 -7.2752 -6.7353 -6.7330 -5.8271 -5.8252 -5.6517 -5.6509 -5.5130 -5.5119 -5.3323 -5.3293 -5.1595 -5.1569 -4.9245 -4.9029 -4.8633 -4.8380 -4.7043 -4.6998 -4.6104 -4.6100 -3.9187 -3.9177 -3.6708 -3.6697 -3.4633 -3.4627 -3.0899 -3.0884 -0.6544 -0.6533 0.4664 0.4687 1.9379 1.9407 2.0514 2.0548 3.0127 3.0135 3.4688 3.4704 4.0806 4.0828 k = 0.3714 0.2266-0.0528 ( 14993 PWs) bands (ev): -26.5492 -26.5492 -24.9269 -24.9268 -24.5272 -24.5272 -24.1390 -24.1390 -23.5722 -23.5722 -22.4398 -22.4398 -19.9742 -19.9742 -17.6670 -17.6670 -14.5297 -14.5295 -13.2500 -13.2499 -12.6447 -12.6445 -11.0477 -11.0473 -9.3483 -9.3480 -8.7768 -8.7727 -8.4752 -8.4713 -8.3475 -8.3444 -8.0576 -8.0558 -7.8878 -7.8856 -7.2860 -7.2839 -6.7298 -6.7274 -5.8253 -5.8232 -5.6458 -5.6448 -5.5172 -5.5160 -5.3364 -5.3333 -5.1604 -5.1580 -4.9279 -4.9070 -4.8618 -4.8373 -4.7046 -4.6998 -4.6089 -4.6084 -3.9185 -3.9174 -3.6712 -3.6699 -3.4627 -3.4619 -3.0908 -3.0892 -0.6469 -0.6457 0.4695 0.4720 1.9384 1.9412 2.0548 2.0582 2.9988 2.9997 3.4648 3.4666 4.0473 4.0497 k = 0.3571 0.2179-0.0508 ( 15002 PWs) bands (ev): -26.5494 -26.5494 -24.9268 -24.9268 -24.5271 -24.5271 -24.1389 -24.1389 -23.5728 -23.5728 -22.4396 -22.4395 -19.9733 -19.9733 -17.6664 -17.6664 -14.5308 -14.5307 -13.2502 -13.2501 -12.6447 -12.6444 -11.0467 -11.0463 -9.3504 -9.3501 -8.7807 -8.7764 -8.4758 -8.4721 -8.3371 -8.3338 -8.0599 -8.0580 -7.8898 -7.8875 -7.2951 -7.2929 -6.7248 -6.7223 -5.8234 -5.8211 -5.6400 -5.6387 -5.5221 -5.5207 -5.3406 -5.3377 -5.1606 -5.1585 -4.9309 -4.9108 -4.8607 -4.8372 -4.7048 -4.6999 -4.6075 -4.6065 -3.9183 -3.9171 -3.6716 -3.6703 -3.4619 -3.4611 -3.0917 -3.0900 -0.6386 -0.6373 0.4729 0.4757 1.9389 1.9417 2.0583 2.0617 2.9834 2.9844 3.4597 3.4617 4.0166 4.0190 k = 0.3429 0.2092-0.0487 ( 14996 PWs) bands (ev): -26.5495 -26.5495 -24.9267 -24.9267 -24.5269 -24.5269 -24.1389 -24.1389 -23.5734 -23.5734 -22.4393 -22.4393 -19.9723 -19.9723 -17.6658 -17.6657 -14.5321 -14.5319 -13.2504 -13.2502 -12.6447 -12.6445 -11.0456 -11.0453 -9.3527 -9.3524 -8.7844 -8.7800 -8.4762 -8.4727 -8.3263 -8.3228 -8.0622 -8.0602 -7.8918 -7.8893 -7.3043 -7.3020 -6.7205 -6.7179 -5.8213 -5.8189 -5.6345 -5.6329 -5.5277 -5.5261 -5.3451 -5.3425 -5.1600 -5.1580 -4.9334 -4.9142 -4.8598 -4.8377 -4.7048 -4.7000 -4.6060 -4.6043 -3.9181 -3.9169 -3.6720 -3.6706 -3.4612 -3.4603 -3.0927 -3.0908 -0.6297 -0.6283 0.4767 0.4796 1.9397 1.9423 2.0620 2.0653 2.9668 2.9679 3.4534 3.4554 3.9888 3.9912 k = 0.3286 0.2004-0.0467 ( 15007 PWs) bands (ev): -26.5497 -26.5497 -24.9266 -24.9266 -24.5268 -24.5268 -24.1389 -24.1389 -23.5741 -23.5741 -22.4390 -22.4390 -19.9713 -19.9713 -17.6651 -17.6650 -14.5335 -14.5333 -13.2506 -13.2504 -12.6448 -12.6446 -11.0445 -11.0441 -9.3552 -9.3549 -8.7879 -8.7835 -8.4763 -8.4732 -8.3153 -8.3115 -8.0644 -8.0624 -7.8937 -7.8912 -7.3134 -7.3111 -6.7169 -6.7143 -5.8190 -5.8165 -5.6297 -5.6277 -5.5339 -5.5320 -5.3496 -5.3473 -5.1585 -5.1562 -4.9355 -4.9174 -4.8592 -4.8388 -4.7047 -4.7002 -4.6043 -4.6020 -3.9179 -3.9166 -3.6725 -3.6710 -3.4604 -3.4594 -3.0937 -3.0916 -0.6202 -0.6187 0.4806 0.4837 1.9406 1.9430 2.0656 2.0688 2.9490 2.9501 3.4456 3.4478 3.9641 3.9665 k = 0.3143 0.1917-0.0447 ( 15007 PWs) bands (ev): -26.5499 -26.5499 -24.9265 -24.9265 -24.5266 -24.5266 -24.1388 -24.1388 -23.5748 -23.5748 -22.4387 -22.4387 -19.9702 -19.9702 -17.6643 -17.6643 -14.5349 -14.5347 -13.2508 -13.2506 -12.6450 -12.6448 -11.0432 -11.0428 -9.3579 -9.3577 -8.7911 -8.7868 -8.4763 -8.4734 -8.3042 -8.3002 -8.0667 -8.0646 -7.8957 -7.8930 -7.3222 -7.3199 -6.7143 -6.7117 -5.8166 -5.8141 -5.6261 -5.6235 -5.5403 -5.5382 -5.3541 -5.3522 -5.1560 -5.1530 -4.9372 -4.9204 -4.8588 -4.8404 -4.7045 -4.7004 -4.6024 -4.5994 -3.9177 -3.9164 -3.6729 -3.6714 -3.4596 -3.4586 -3.0946 -3.0925 -0.6102 -0.6086 0.4848 0.4881 1.9417 1.9439 2.0692 2.0721 2.9301 2.9313 3.4365 3.4387 3.9427 3.9451 k = 0.3000 0.1830-0.0426 ( 15008 PWs) bands (ev): -26.5501 -26.5501 -24.9264 -24.9264 -24.5264 -24.5264 -24.1388 -24.1388 -23.5755 -23.5755 -22.4384 -22.4384 -19.9691 -19.9691 -17.6636 -17.6635 -14.5364 -14.5362 -13.2510 -13.2508 -12.6453 -12.6450 -11.0419 -11.0414 -9.3609 -9.3606 -8.7941 -8.7898 -8.4759 -8.4734 -8.2931 -8.2890 -8.0689 -8.0668 -7.8975 -7.8948 -7.3307 -7.3283 -6.7127 -6.7101 -5.8141 -5.8116 -5.6244 -5.6211 -5.5467 -5.5443 -5.3585 -5.3568 -5.1523 -5.1483 -4.9387 -4.9232 -4.8586 -4.8426 -4.7040 -4.7005 -4.6002 -4.5966 -3.9175 -3.9162 -3.6734 -3.6718 -3.4588 -3.4577 -3.0955 -3.0932 -0.5997 -0.5981 0.4892 0.4926 1.9430 1.9450 2.0725 2.0752 2.9103 2.9116 3.4260 3.4282 3.9246 3.9270 k = 0.2857 0.1743-0.0406 ( 15017 PWs) bands (ev): -26.5503 -26.5503 -24.9263 -24.9263 -24.5262 -24.5262 -24.1388 -24.1388 -23.5763 -23.5763 -22.4381 -22.4381 -19.9679 -19.9679 -17.6627 -17.6627 -14.5379 -14.5377 -13.2512 -13.2510 -12.6456 -12.6454 -11.0404 -11.0400 -9.3640 -9.3638 -8.7967 -8.7925 -8.4751 -8.4729 -8.2824 -8.2780 -8.0711 -8.0689 -7.8993 -7.8965 -7.3386 -7.3363 -6.7122 -6.7096 -5.8116 -5.8090 -5.6251 -5.6211 -5.5523 -5.5496 -5.3626 -5.3612 -5.1473 -5.1425 -4.9399 -4.9261 -4.8584 -4.8452 -4.7033 -4.7006 -4.5978 -4.5936 -3.9174 -3.9161 -3.6738 -3.6722 -3.4580 -3.4569 -3.0963 -3.0940 -0.5888 -0.5872 0.4938 0.4973 1.9445 1.9464 2.0755 2.0780 2.8898 2.8912 3.4142 3.4164 3.9097 3.9120 k = 0.2714 0.1656-0.0386 ( 15005 PWs) bands (ev): -26.5505 -26.5505 -24.9262 -24.9262 -24.5260 -24.5260 -24.1387 -24.1387 -23.5771 -23.5770 -22.4377 -22.4377 -19.9667 -19.9667 -17.6619 -17.6619 -14.5394 -14.5392 -13.2514 -13.2512 -12.6460 -12.6458 -11.0389 -11.0384 -9.3673 -9.3670 -8.7989 -8.7949 -8.4740 -8.4721 -8.2720 -8.2675 -8.0732 -8.0711 -7.9010 -7.8981 -7.3459 -7.3437 -6.7127 -6.7102 -5.8091 -5.8065 -5.6288 -5.6244 -5.5564 -5.5537 -5.3663 -5.3650 -5.1413 -5.1354 -4.9410 -4.9292 -4.8582 -4.8481 -4.7022 -4.7005 -4.5951 -4.5904 -3.9173 -3.9160 -3.6743 -3.6727 -3.4572 -3.4561 -3.0970 -3.0946 -0.5777 -0.5760 0.4985 0.5021 1.9464 1.9481 2.0781 2.0804 2.8687 2.8702 3.4015 3.4037 3.8978 3.9000 k = 0.2571 0.1569-0.0366 ( 15007 PWs) bands (ev): -26.5507 -26.5507 -24.9260 -24.9260 -24.5259 -24.5259 -24.1387 -24.1387 -23.5779 -23.5778 -22.4374 -22.4374 -19.9655 -19.9655 -17.6610 -17.6610 -14.5410 -14.5408 -13.2516 -13.2515 -12.6465 -12.6463 -11.0373 -11.0368 -9.3708 -9.3705 -8.8008 -8.7969 -8.4724 -8.4709 -8.2621 -8.2575 -8.0752 -8.0731 -7.9025 -7.8996 -7.3525 -7.3504 -6.7143 -6.7118 -5.8067 -5.8041 -5.6357 -5.6310 -5.5588 -5.5563 -5.3697 -5.3683 -5.1343 -5.1276 -4.9422 -4.9323 -4.8579 -4.8512 -4.7008 -4.7000 -4.5921 -4.5870 -3.9172 -3.9160 -3.6747 -3.6731 -3.4565 -3.4553 -3.0977 -3.0952 -0.5663 -0.5646 0.5033 0.5069 1.9484 1.9501 2.0803 2.0823 2.8472 2.8487 3.3880 3.3901 3.8886 3.8906 k = 0.2429 0.1482-0.0345 ( 15003 PWs) bands (ev): -26.5509 -26.5509 -24.9259 -24.9259 -24.5257 -24.5257 -24.1386 -24.1386 -23.5787 -23.5787 -22.4371 -22.4371 -19.9643 -19.9643 -17.6601 -17.6601 -14.5426 -14.5424 -13.2519 -13.2517 -12.6471 -12.6469 -11.0356 -11.0352 -9.3743 -9.3740 -8.8023 -8.7985 -8.4705 -8.4692 -8.2529 -8.2482 -8.0771 -8.0751 -7.9040 -7.9010 -7.3582 -7.3562 -6.7168 -6.7144 -5.8044 -5.8017 -5.6454 -5.6406 -5.5598 -5.5576 -5.3725 -5.3711 -5.1267 -5.1193 -4.9435 -4.9353 -4.8575 -4.8542 -4.6994 -4.6986 -4.5890 -4.5836 -3.9172 -3.9160 -3.6751 -3.6735 -3.4558 -3.4546 -3.0982 -3.0957 -0.5549 -0.5532 0.5081 0.5118 1.9507 1.9524 2.0820 2.0838 2.8254 2.8270 3.3739 3.3759 3.8819 3.8837 k = 0.2286 0.1394-0.0325 ( 15010 PWs) bands (ev): -26.5512 -26.5512 -24.9258 -24.9258 -24.5255 -24.5255 -24.1386 -24.1386 -23.5795 -23.5795 -22.4367 -22.4367 -19.9631 -19.9631 -17.6593 -17.6592 -14.5442 -14.5439 -13.2521 -13.2519 -12.6478 -12.6476 -11.0339 -11.0335 -9.3780 -9.3777 -8.8033 -8.7998 -8.4681 -8.4670 -8.2444 -8.2396 -8.0790 -8.0770 -7.9053 -7.9023 -7.3631 -7.3612 -6.7203 -6.7180 -5.8022 -5.7996 -5.6572 -5.6524 -5.5599 -5.5581 -5.3749 -5.3733 -5.1188 -5.1109 -4.9450 -4.9380 -4.8579 -4.8562 -4.6979 -4.6962 -4.5857 -4.5801 -3.9173 -3.9161 -3.6754 -3.6739 -3.4551 -3.4539 -3.0986 -3.0960 -0.5434 -0.5417 0.5130 0.5166 1.9533 1.9550 2.0833 2.0849 2.8036 2.8052 3.3597 3.3616 3.8772 3.8789 k = 0.2143 0.1307-0.0305 ( 15005 PWs) bands (ev): -26.5514 -26.5514 -24.9256 -24.9256 -24.5253 -24.5253 -24.1385 -24.1385 -23.5803 -23.5803 -22.4364 -22.4364 -19.9619 -19.9619 -17.6584 -17.6583 -14.5457 -14.5455 -13.2523 -13.2522 -12.6486 -12.6484 -11.0322 -11.0318 -9.3817 -9.3813 -8.8040 -8.8007 -8.4654 -8.4643 -8.2368 -8.2320 -8.0807 -8.0789 -7.9065 -7.9035 -7.3669 -7.3652 -6.7245 -6.7223 -5.8003 -5.7977 -5.6702 -5.6656 -5.5596 -5.5581 -5.3768 -5.3750 -5.1112 -5.1030 -4.9468 -4.9398 -4.8604 -4.8557 -4.6960 -4.6933 -4.5823 -4.5765 -3.9175 -3.9164 -3.6758 -3.6743 -3.4544 -3.4532 -3.0989 -3.0963 -0.5320 -0.5303 0.5178 0.5214 1.9561 1.9579 2.0841 2.0855 2.7818 2.7835 3.3455 3.3472 3.8743 3.8758 k = 0.2000 0.1220-0.0284 ( 15012 PWs) bands (ev): -26.5516 -26.5516 -24.9255 -24.9255 -24.5251 -24.5251 -24.1385 -24.1385 -23.5811 -23.5811 -22.4361 -22.4361 -19.9607 -19.9607 -17.6575 -17.6574 -14.5472 -14.5470 -13.2526 -13.2524 -12.6494 -12.6492 -11.0305 -11.0300 -9.3854 -9.3851 -8.8043 -8.8012 -8.4622 -8.4612 -8.2301 -8.2252 -8.0824 -8.0807 -7.9077 -7.9047 -7.3698 -7.3682 -6.7295 -6.7273 -5.7987 -5.7961 -5.6840 -5.6795 -5.5592 -5.5580 -5.3782 -5.3763 -5.1043 -5.0962 -4.9486 -4.9405 -4.8628 -4.8549 -4.6934 -4.6898 -4.5788 -4.5730 -3.9177 -3.9167 -3.6761 -3.6747 -3.4537 -3.4526 -3.0990 -3.0965 -0.5208 -0.5191 0.5226 0.5261 1.9591 1.9610 2.0843 2.0856 2.7604 2.7620 3.3315 3.3332 3.8728 3.8742 k = 0.1857 0.1133-0.0264 ( 15019 PWs) bands (ev): -26.5518 -26.5518 -24.9254 -24.9253 -24.5249 -24.5249 -24.1385 -24.1384 -23.5819 -23.5819 -22.4358 -22.4358 -19.9596 -19.9596 -17.6566 -17.6566 -14.5487 -14.5485 -13.2528 -13.2527 -12.6503 -12.6501 -11.0287 -11.0283 -9.3892 -9.3887 -8.8043 -8.8014 -8.4587 -8.4577 -8.2243 -8.2194 -8.0840 -8.0825 -7.9088 -7.9058 -7.3716 -7.3701 -6.7351 -6.7329 -5.7976 -5.7949 -5.6978 -5.6935 -5.5589 -5.5579 -5.3791 -5.3772 -5.0986 -5.0908 -4.9499 -4.9400 -4.8649 -4.8541 -4.6902 -4.6859 -4.5752 -4.5694 -3.9181 -3.9171 -3.6763 -3.6750 -3.4531 -3.4520 -3.0991 -3.0966 -0.5098 -0.5082 0.5273 0.5307 1.9622 1.9643 2.0842 2.0854 2.7393 2.7410 3.3180 3.3196 3.8726 3.8738 k = 0.1714 0.1046-0.0244 ( 15022 PWs) bands (ev): -26.5520 -26.5520 -24.9252 -24.9252 -24.5248 -24.5248 -24.1384 -24.1384 -23.5826 -23.5826 -22.4355 -22.4355 -19.9585 -19.9585 -17.6558 -17.6557 -14.5501 -14.5500 -13.2531 -13.2529 -12.6512 -12.6510 -11.0270 -11.0266 -9.3928 -9.3924 -8.8040 -8.8013 -8.4550 -8.4538 -8.2195 -8.2147 -8.0855 -8.0841 -7.9099 -7.9069 -7.3724 -7.3711 -6.7411 -6.7390 -5.7970 -5.7944 -5.7113 -5.7072 -5.5587 -5.5580 -5.3797 -5.3777 -5.0945 -5.0873 -4.9501 -4.9382 -4.8667 -4.8533 -4.6865 -4.6817 -4.5717 -4.5659 -3.9185 -3.9177 -3.6765 -3.6753 -3.4526 -3.4515 -3.0990 -3.0966 -0.4992 -0.4977 0.5318 0.5351 1.9656 1.9677 2.0836 2.0848 2.7189 2.7205 3.3052 3.3066 3.8733 3.8744 k = 0.1571 0.0959-0.0223 ( 15019 PWs) bands (ev): -26.5522 -26.5522 -24.9251 -24.9251 -24.5246 -24.5246 -24.1384 -24.1384 -23.5834 -23.5833 -22.4352 -22.4352 -19.9574 -19.9574 -17.6550 -17.6549 -14.5515 -14.5513 -13.2533 -13.2531 -12.6521 -12.6519 -11.0253 -11.0249 -9.3963 -9.3959 -8.8035 -8.8010 -8.4509 -8.4497 -8.2156 -8.2109 -8.0868 -8.0857 -7.9110 -7.9081 -7.3722 -7.3710 -6.7474 -6.7454 -5.7973 -5.7947 -5.7237 -5.7200 -5.5588 -5.5582 -5.3800 -5.3779 -5.0924 -5.0859 -4.9489 -4.9351 -4.8683 -4.8526 -4.6823 -4.6771 -4.5681 -4.5624 -3.9191 -3.9183 -3.6767 -3.6755 -3.4520 -3.4510 -3.0988 -3.0965 -0.4890 -0.4876 0.5362 0.5393 1.9690 1.9713 2.0827 2.0839 2.6992 2.7008 3.2932 3.2945 3.8748 3.8758 k = 0.1429 0.0871-0.0203 ( 15016 PWs) bands (ev): -26.5523 -26.5523 -24.9250 -24.9250 -24.5244 -24.5244 -24.1383 -24.1383 -23.5840 -23.5840 -22.4349 -22.4349 -19.9565 -19.9564 -17.6542 -17.6541 -14.5528 -14.5526 -13.2535 -13.2533 -12.6530 -12.6529 -11.0236 -11.0232 -9.3997 -9.3993 -8.8027 -8.8005 -8.4466 -8.4453 -8.2126 -8.2080 -8.0881 -8.0871 -7.9120 -7.9092 -7.3712 -7.3701 -6.7539 -6.7519 -5.7986 -5.7960 -5.7348 -5.7315 -5.5591 -5.5586 -5.3800 -5.3779 -5.0921 -5.0863 -4.9463 -4.9308 -4.8696 -4.8522 -4.6777 -4.6724 -4.5645 -4.5591 -3.9196 -3.9190 -3.6769 -3.6758 -3.4515 -3.4505 -3.0985 -3.0963 -0.4794 -0.4781 0.5404 0.5433 1.9724 1.9748 2.0815 2.0828 2.6805 2.6820 3.2821 3.2833 3.8769 3.8777 k = 0.1286 0.0784-0.0183 ( 15023 PWs) bands (ev): -26.5525 -26.5525 -24.9248 -24.9248 -24.5243 -24.5243 -24.1383 -24.1383 -23.5847 -23.5847 -22.4347 -22.4346 -19.9555 -19.9555 -17.6534 -17.6534 -14.5540 -14.5538 -13.2537 -13.2536 -12.6539 -12.6538 -11.0220 -11.0217 -9.4029 -9.4025 -8.8018 -8.7998 -8.4422 -8.4408 -8.2105 -8.2060 -8.0892 -8.0884 -7.9131 -7.9105 -7.3694 -7.3685 -6.7605 -6.7586 -5.8012 -5.7987 -5.7438 -5.7410 -5.5595 -5.5592 -5.3798 -5.3777 -5.0934 -5.0884 -4.9424 -4.9255 -4.8709 -4.8520 -4.6730 -4.6677 -4.5609 -4.5558 -3.9203 -3.9197 -3.6770 -3.6760 -3.4510 -3.4501 -3.0981 -3.0961 -0.4704 -0.4692 0.5443 0.5470 1.9759 1.9783 2.0802 2.0815 2.6628 2.6643 3.2720 3.2730 3.8793 3.8800 k = 0.1143 0.0697-0.0162 ( 15008 PWs) bands (ev): -26.5527 -26.5527 -24.9247 -24.9247 -24.5242 -24.5242 -24.1383 -24.1383 -23.5853 -23.5853 -22.4344 -22.4344 -19.9547 -19.9546 -17.6528 -17.6527 -14.5550 -14.5549 -13.2539 -13.2538 -12.6548 -12.6547 -11.0206 -11.0203 -9.4059 -9.4055 -8.8008 -8.7990 -8.4378 -8.4363 -8.2090 -8.2048 -8.0902 -8.0896 -7.9142 -7.9117 -7.3671 -7.3662 -6.7669 -6.7650 -5.8053 -5.8029 -5.7507 -5.7484 -5.5600 -5.5598 -5.3794 -5.3774 -5.0960 -5.0916 -4.9377 -4.9197 -4.8720 -4.8521 -4.6681 -4.6631 -4.5575 -4.5526 -3.9210 -3.9204 -3.6770 -3.6761 -3.4506 -3.4497 -3.0977 -3.0958 -0.4621 -0.4610 0.5479 0.5503 1.9792 1.9816 2.0787 2.0801 2.6465 2.6478 3.2629 3.2638 3.8819 3.8825 k = 0.1000 0.0610-0.0142 ( 15012 PWs) bands (ev): -26.5528 -26.5528 -24.9246 -24.9246 -24.5240 -24.5240 -24.1382 -24.1382 -23.5858 -23.5858 -22.4342 -22.4342 -19.9539 -19.9539 -17.6522 -17.6521 -14.5560 -14.5559 -13.2540 -13.2539 -12.6556 -12.6555 -11.0192 -11.0189 -9.4086 -9.4082 -8.7998 -8.7982 -8.4334 -8.4319 -8.2082 -8.2043 -8.0911 -8.0906 -7.9153 -7.9130 -7.3643 -7.3635 -6.7730 -6.7713 -5.8105 -5.8083 -5.7554 -5.7536 -5.5607 -5.5605 -5.3789 -5.3771 -5.0993 -5.0956 -4.9324 -4.9137 -4.8731 -4.8526 -4.6634 -4.6587 -4.5541 -4.5497 -3.9217 -3.9212 -3.6771 -3.6763 -3.4501 -3.4494 -3.0973 -3.0956 -0.4546 -0.4536 0.5512 0.5534 1.9825 1.9848 2.0772 2.0786 2.6316 2.6328 3.2549 3.2557 3.8845 3.8851 k = 0.0857 0.0523-0.0122 ( 15013 PWs) bands (ev): -26.5529 -26.5529 -24.9245 -24.9245 -24.5239 -24.5239 -24.1382 -24.1382 -23.5863 -23.5863 -22.4340 -22.4340 -19.9532 -19.9532 -17.6516 -17.6516 -14.5569 -14.5568 -13.2542 -13.2541 -12.6564 -12.6563 -11.0180 -11.0177 -9.4110 -9.4107 -8.7987 -8.7974 -8.4292 -8.4278 -8.2078 -8.2043 -8.0918 -8.0915 -7.9163 -7.9143 -7.3614 -7.3607 -6.7786 -6.7771 -5.8164 -5.8143 -5.7584 -5.7571 -5.5613 -5.5612 -5.3783 -5.3766 -5.1030 -5.0998 -4.9269 -4.9079 -4.8741 -4.8535 -4.6590 -4.6547 -4.5509 -4.5469 -3.9223 -3.9219 -3.6771 -3.6764 -3.4498 -3.4491 -3.0968 -3.0953 -0.4479 -0.4470 0.5541 0.5560 1.9855 1.9877 2.0758 2.0772 2.6183 2.6193 3.2480 3.2487 3.8871 3.8876 k = 0.0714 0.0436-0.0102 ( 15019 PWs) bands (ev): -26.5530 -26.5530 -24.9244 -24.9244 -24.5238 -24.5238 -24.1382 -24.1382 -23.5867 -23.5867 -22.4339 -22.4338 -19.9526 -19.9526 -17.6511 -17.6511 -14.5576 -14.5576 -13.2543 -13.2543 -12.6570 -12.6570 -11.0169 -11.0167 -9.4131 -9.4128 -8.7977 -8.7966 -8.4253 -8.4240 -8.2078 -8.2048 -8.0924 -8.0922 -7.9173 -7.9155 -7.3584 -7.3578 -6.7837 -6.7824 -5.8222 -5.8204 -5.7603 -5.7593 -5.5620 -5.5619 -5.3777 -5.3762 -5.1067 -5.1040 -4.9213 -4.9027 -4.8749 -4.8547 -4.6550 -4.6513 -4.5480 -4.5445 -3.9229 -3.9226 -3.6771 -3.6765 -3.4494 -3.4489 -3.0964 -3.0951 -0.4422 -0.4414 0.5567 0.5583 1.9882 1.9902 2.0745 2.0758 2.6067 2.6076 3.2422 3.2428 3.8896 3.8899 k = 0.0571 0.0349-0.0081 ( 15017 PWs) bands (ev): -26.5531 -26.5531 -24.9244 -24.9244 -24.5238 -24.5238 -24.1382 -24.1382 -23.5871 -23.5870 -22.4337 -22.4337 -19.9522 -19.9521 -17.6507 -17.6507 -14.5583 -14.5582 -13.2544 -13.2544 -12.6576 -12.6575 -11.0160 -11.0158 -9.4149 -9.4146 -8.7968 -8.7959 -8.4218 -8.4207 -8.2080 -8.2054 -8.0929 -8.0927 -7.9181 -7.9166 -7.3556 -7.3551 -6.7880 -6.7869 -5.8275 -5.8260 -5.7614 -5.7607 -5.5626 -5.5625 -5.3770 -5.3759 -5.1101 -5.1079 -4.9160 -4.8985 -4.8751 -4.8564 -4.6514 -4.6484 -4.5453 -4.5424 -3.9235 -3.9232 -3.6771 -3.6766 -3.4491 -3.4487 -3.0959 -3.0949 -0.4373 -0.4367 0.5588 0.5602 1.9906 1.9924 2.0734 2.0745 2.5971 2.5978 3.2375 3.2379 3.8917 3.8920 k = 0.0429 0.0261-0.0061 ( 15010 PWs) bands (ev): -26.5532 -26.5532 -24.9243 -24.9243 -24.5237 -24.5237 -24.1382 -24.1381 -23.5873 -23.5873 -22.4336 -22.4336 -19.9518 -19.9518 -17.6504 -17.6504 -14.5587 -14.5587 -13.2545 -13.2545 -12.6581 -12.6580 -11.0153 -11.0152 -9.4162 -9.4161 -8.7961 -8.7954 -8.4189 -8.4181 -8.2082 -8.2062 -8.0933 -8.0931 -7.9187 -7.9176 -7.3532 -7.3528 -6.7915 -6.7906 -5.8319 -5.8307 -5.7621 -5.7616 -5.5631 -5.5630 -5.3765 -5.3756 -5.1129 -5.1112 -4.9110 -4.8960 -4.8744 -4.8585 -4.6485 -4.6462 -4.5431 -4.5408 -3.9239 -3.9237 -3.6770 -3.6767 -3.4489 -3.4486 -3.0955 -3.0947 -0.4335 -0.4331 0.5606 0.5616 1.9927 1.9940 2.0725 2.0734 2.5894 2.5900 3.2339 3.2342 3.8934 3.8936 k = 0.0286 0.0174-0.0041 ( 15003 PWs) bands (ev): -26.5532 -26.5532 -24.9243 -24.9243 -24.5237 -24.5237 -24.1381 -24.1381 -23.5875 -23.5875 -22.4335 -22.4335 -19.9515 -19.9515 -17.6502 -17.6502 -14.5591 -14.5591 -13.2546 -13.2545 -12.6584 -12.6583 -11.0148 -11.0147 -9.4172 -9.4171 -8.7955 -8.7950 -8.4167 -8.4161 -8.2083 -8.2070 -8.0936 -8.0934 -7.9191 -7.9184 -7.3513 -7.3510 -6.7940 -6.7934 -5.8351 -5.8343 -5.7624 -5.7621 -5.5634 -5.5634 -5.3760 -5.3754 -5.1149 -5.1138 -4.9065 -4.8955 -4.8725 -4.8609 -4.6463 -4.6447 -4.5413 -4.5398 -3.9243 -3.9241 -3.6770 -3.6768 -3.4487 -3.4485 -3.0952 -3.0947 -0.4308 -0.4305 0.5619 0.5626 1.9942 1.9952 2.0719 2.0725 2.5840 2.5843 3.2313 3.2315 3.8948 3.8949 k = 0.0143 0.0087-0.0020 ( 15004 PWs) bands (ev): -26.5533 -26.5533 -24.9243 -24.9243 -24.5236 -24.5236 -24.1381 -24.1381 -23.5876 -23.5876 -22.4335 -22.4335 -19.9513 -19.9513 -17.6501 -17.6501 -14.5593 -14.5593 -13.2546 -13.2546 -12.6586 -12.6586 -11.0144 -11.0144 -9.4178 -9.4177 -8.7951 -8.7948 -8.4153 -8.4150 -8.2083 -8.2077 -8.0937 -8.0936 -7.9193 -7.9189 -7.3501 -7.3499 -6.7955 -6.7952 -5.8370 -5.8366 -5.7626 -5.7624 -5.5637 -5.5637 -5.3757 -5.3753 -5.1161 -5.1155 -4.9025 -4.8967 -4.8698 -4.8637 -4.6448 -4.6440 -4.5400 -4.5392 -3.9244 -3.9244 -3.6769 -3.6768 -3.4486 -3.4484 -3.0950 -3.0947 -0.4291 -0.4289 0.5627 0.5631 1.9953 1.9958 2.0716 2.0719 2.5807 2.5809 3.2298 3.2299 3.8956 3.8956 k = 0.0000 0.0000 0.0000 ( 15013 PWs) bands (ev): -26.5533 -26.5533 -24.9242 -24.9242 -24.5236 -24.5236 -24.1381 -24.1381 -23.5877 -23.5877 -22.4335 -22.4335 -19.9513 -19.9513 -17.6500 -17.6500 -14.5594 -14.5594 -13.2546 -13.2546 -12.6586 -12.6586 -11.0143 -11.0143 -9.4180 -9.4180 -8.7948 -8.7948 -8.4147 -8.4147 -8.2081 -8.2081 -8.0937 -8.0937 -7.9192 -7.9192 -7.3496 -7.3496 -6.7959 -6.7959 -5.8375 -5.8375 -5.7626 -5.7626 -5.5637 -5.5637 -5.3754 -5.3754 -5.1163 -5.1163 -4.8991 -4.8991 -4.8667 -4.8667 -4.6440 -4.6440 -4.5393 -4.5393 -3.9245 -3.9245 -3.6769 -3.6769 -3.4485 -3.4485 -3.0948 -3.0948 -0.4285 -0.4285 0.5631 0.5631 1.9958 1.9958 2.0716 2.0716 2.5796 2.5796 3.2293 3.2293 3.8959 3.8959 k = 0.0000 0.0000 0.0000 ( 15013 PWs) bands (ev): -26.5533 -26.5533 -24.9242 -24.9242 -24.5236 -24.5236 -24.1381 -24.1381 -23.5877 -23.5877 -22.4335 -22.4335 -19.9513 -19.9513 -17.6500 -17.6500 -14.5594 -14.5594 -13.2546 -13.2546 -12.6586 -12.6586 -11.0143 -11.0143 -9.4180 -9.4180 -8.7948 -8.7948 -8.4147 -8.4147 -8.2081 -8.2081 -8.0937 -8.0937 -7.9192 -7.9192 -7.3496 -7.3496 -6.7959 -6.7959 -5.8375 -5.8375 -5.7626 -5.7626 -5.5637 -5.5637 -5.3754 -5.3754 -5.1163 -5.1163 -4.8991 -4.8991 -4.8667 -4.8667 -4.6440 -4.6440 -4.5393 -4.5393 -3.9245 -3.9245 -3.6769 -3.6769 -3.4485 -3.4485 -3.0948 -3.0948 -0.4285 -0.4285 0.5631 0.5631 1.9958 1.9958 2.0716 2.0716 2.5796 2.5796 3.2293 3.2293 3.8959 3.8959 k = 0.0000 0.0000 0.0170 ( 15006 PWs) bands (ev): -26.5533 -26.5533 -24.9242 -24.9242 -24.5236 -24.5236 -24.1381 -24.1381 -23.5877 -23.5877 -22.4335 -22.4335 -19.9513 -19.9513 -17.6500 -17.6500 -14.5594 -14.5594 -13.2546 -13.2546 -12.6586 -12.6586 -11.0143 -11.0143 -9.4180 -9.4180 -8.7948 -8.7948 -8.4147 -8.4147 -8.2081 -8.2081 -8.0937 -8.0937 -7.9192 -7.9192 -7.3496 -7.3496 -6.7959 -6.7959 -5.8375 -5.8375 -5.7626 -5.7626 -5.5638 -5.5638 -5.3754 -5.3754 -5.1163 -5.1163 -4.8991 -4.8991 -4.8667 -4.8667 -4.6440 -4.6440 -4.5393 -4.5393 -3.9245 -3.9245 -3.6769 -3.6769 -3.4485 -3.4485 -3.0948 -3.0948 -0.4285 -0.4284 0.5631 0.5631 1.9955 1.9962 2.0717 2.0727 2.5802 2.5808 3.2293 3.2296 3.8942 3.8948 k = 0.0000 0.0000 0.0341 ( 15004 PWs) bands (ev): -26.5533 -26.5533 -24.9242 -24.9242 -24.5236 -24.5236 -24.1381 -24.1381 -23.5877 -23.5877 -22.4335 -22.4335 -19.9513 -19.9513 -17.6500 -17.6500 -14.5594 -14.5594 -13.2546 -13.2546 -12.6586 -12.6586 -11.0143 -11.0143 -9.4180 -9.4180 -8.7948 -8.7948 -8.4147 -8.4147 -8.2081 -8.2081 -8.0937 -8.0937 -7.9192 -7.9192 -7.3496 -7.3496 -6.7959 -6.7959 -5.8375 -5.8375 -5.7626 -5.7626 -5.5638 -5.5638 -5.3754 -5.3754 -5.1163 -5.1163 -4.8991 -4.8991 -4.8667 -4.8667 -4.6440 -4.6440 -4.5393 -4.5393 -3.9245 -3.9245 -3.6769 -3.6769 -3.4485 -3.4485 -3.0948 -3.0948 -0.4284 -0.4284 0.5628 0.5629 1.9954 1.9968 2.0728 2.0748 2.5824 2.5835 3.2298 3.2303 3.8898 3.8908 k = 0.0000 0.0000 0.0511 ( 15011 PWs) bands (ev): -26.5533 -26.5533 -24.9242 -24.9242 -24.5236 -24.5236 -24.1381 -24.1381 -23.5877 -23.5877 -22.4335 -22.4335 -19.9513 -19.9513 -17.6500 -17.6500 -14.5594 -14.5594 -13.2546 -13.2546 -12.6586 -12.6586 -11.0143 -11.0143 -9.4180 -9.4180 -8.7948 -8.7948 -8.4147 -8.4147 -8.2081 -8.2081 -8.0937 -8.0937 -7.9192 -7.9192 -7.3496 -7.3496 -6.7960 -6.7960 -5.8375 -5.8375 -5.7626 -5.7626 -5.5639 -5.5639 -5.3754 -5.3754 -5.1163 -5.1163 -4.8991 -4.8991 -4.8667 -4.8667 -4.6440 -4.6440 -4.5392 -4.5392 -3.9245 -3.9245 -3.6769 -3.6769 -3.4485 -3.4485 -3.0948 -3.0948 -0.4284 -0.4284 0.5625 0.5626 1.9955 1.9974 2.0751 2.0779 2.5863 2.5880 3.2306 3.2314 3.8822 3.8838 k = 0.0000 0.0000 0.0681 ( 15012 PWs) bands (ev): -26.5533 -26.5533 -24.9242 -24.9242 -24.5236 -24.5236 -24.1381 -24.1381 -23.5877 -23.5877 -22.4335 -22.4335 -19.9513 -19.9513 -17.6500 -17.6500 -14.5594 -14.5594 -13.2546 -13.2546 -12.6586 -12.6586 -11.0143 -11.0143 -9.4180 -9.4180 -8.7948 -8.7948 -8.4147 -8.4147 -8.2081 -8.2081 -8.0937 -8.0937 -7.9193 -7.9192 -7.3496 -7.3496 -6.7960 -6.7960 -5.8375 -5.8375 -5.7626 -5.7626 -5.5640 -5.5640 -5.3754 -5.3754 -5.1163 -5.1163 -4.8991 -4.8991 -4.8666 -4.8666 -4.6440 -4.6440 -4.5391 -4.5391 -3.9245 -3.9245 -3.6769 -3.6769 -3.4485 -3.4485 -3.0948 -3.0947 -0.4284 -0.4284 0.5620 0.5621 1.9957 1.9980 2.0784 2.0819 2.5919 2.5941 3.2320 3.2330 3.8711 3.8733 k = 0.0000 0.0000 0.0851 ( 15025 PWs) bands (ev): -26.5533 -26.5533 -24.9243 -24.9243 -24.5236 -24.5236 -24.1381 -24.1381 -23.5877 -23.5877 -22.4335 -22.4335 -19.9513 -19.9513 -17.6500 -17.6500 -14.5594 -14.5594 -13.2546 -13.2546 -12.6586 -12.6586 -11.0143 -11.0143 -9.4180 -9.4180 -8.7948 -8.7948 -8.4147 -8.4147 -8.2081 -8.2081 -8.0937 -8.0937 -7.9193 -7.9193 -7.3496 -7.3496 -6.7960 -6.7960 -5.8375 -5.8375 -5.7626 -5.7626 -5.5641 -5.5641 -5.3754 -5.3753 -5.1164 -5.1163 -4.8991 -4.8991 -4.8666 -4.8666 -4.6440 -4.6440 -4.5391 -4.5390 -3.9245 -3.9245 -3.6769 -3.6769 -3.4485 -3.4485 -3.0947 -3.0947 -0.4284 -0.4284 0.5615 0.5616 1.9960 1.9986 2.0826 2.0867 2.5992 2.6018 3.2338 3.2352 3.8558 3.8586 k = 0.0000 0.0000 0.1022 ( 15032 PWs) bands (ev): -26.5533 -26.5533 -24.9243 -24.9243 -24.5236 -24.5236 -24.1381 -24.1381 -23.5877 -23.5877 -22.4335 -22.4335 -19.9513 -19.9513 -17.6500 -17.6500 -14.5594 -14.5594 -13.2546 -13.2546 -12.6586 -12.6586 -11.0143 -11.0143 -9.4180 -9.4180 -8.7948 -8.7948 -8.4148 -8.4147 -8.2081 -8.2081 -8.0937 -8.0937 -7.9193 -7.9193 -7.3497 -7.3497 -6.7961 -6.7961 -5.8375 -5.8375 -5.7626 -5.7626 -5.5643 -5.5642 -5.3753 -5.3753 -5.1164 -5.1164 -4.8991 -4.8991 -4.8665 -4.8665 -4.6440 -4.6440 -4.5389 -4.5389 -3.9245 -3.9245 -3.6769 -3.6769 -3.4485 -3.4485 -3.0947 -3.0947 -0.4284 -0.4284 0.5608 0.5610 1.9964 1.9992 2.0876 2.0920 2.6082 2.6112 3.2363 3.2379 3.8359 3.8393 k = 0.0000 0.0000 0.1192 ( 15030 PWs) bands (ev): -26.5533 -26.5533 -24.9243 -24.9243 -24.5236 -24.5236 -24.1381 -24.1381 -23.5877 -23.5877 -22.4335 -22.4335 -19.9513 -19.9513 -17.6500 -17.6500 -14.5594 -14.5594 -13.2546 -13.2546 -12.6586 -12.6586 -11.0144 -11.0144 -9.4180 -9.4180 -8.7948 -8.7947 -8.4148 -8.4148 -8.2081 -8.2081 -8.0937 -8.0937 -7.9193 -7.9193 -7.3497 -7.3497 -6.7961 -6.7961 -5.8375 -5.8375 -5.7626 -5.7626 -5.5644 -5.5644 -5.3753 -5.3753 -5.1164 -5.1164 -4.8991 -4.8991 -4.8665 -4.8665 -4.6440 -4.6440 -4.5388 -4.5388 -3.9245 -3.9245 -3.6769 -3.6769 -3.4485 -3.4485 -3.0947 -3.0947 -0.4284 -0.4284 0.5601 0.5603 1.9969 1.9997 2.0931 2.0977 2.6188 2.6221 3.2395 3.2414 3.8107 3.8146 k = 0.0000 0.0000 0.1362 ( 15030 PWs) bands (ev): -26.5533 -26.5533 -24.9243 -24.9243 -24.5236 -24.5236 -24.1381 -24.1381 -23.5877 -23.5877 -22.4335 -22.4335 -19.9513 -19.9513 -17.6500 -17.6500 -14.5594 -14.5594 -13.2546 -13.2546 -12.6586 -12.6586 -11.0144 -11.0144 -9.4180 -9.4180 -8.7947 -8.7947 -8.4148 -8.4148 -8.2081 -8.2081 -8.0937 -8.0937 -7.9193 -7.9193 -7.3497 -7.3497 -6.7962 -6.7962 -5.8375 -5.8375 -5.7626 -5.7626 -5.5646 -5.5646 -5.3752 -5.3752 -5.1165 -5.1165 -4.8991 -4.8991 -4.8664 -4.8664 -4.6440 -4.6440 -4.5387 -4.5386 -3.9245 -3.9245 -3.6769 -3.6769 -3.4485 -3.4485 -3.0947 -3.0947 -0.4283 -0.4283 0.5594 0.5595 1.9974 2.0002 2.0989 2.1035 2.6309 2.6344 3.2437 3.2459 3.7802 3.7845 k = 0.0000 0.0000 0.1533 ( 15034 PWs) bands (ev): -26.5533 -26.5533 -24.9243 -24.9243 -24.5236 -24.5236 -24.1381 -24.1381 -23.5877 -23.5877 -22.4335 -22.4335 -19.9513 -19.9513 -17.6500 -17.6500 -14.5594 -14.5594 -13.2546 -13.2546 -12.6586 -12.6586 -11.0144 -11.0144 -9.4180 -9.4180 -8.7947 -8.7947 -8.4148 -8.4148 -8.2081 -8.2081 -8.0937 -8.0937 -7.9193 -7.9193 -7.3497 -7.3497 -6.7962 -6.7962 -5.8375 -5.8375 -5.7626 -5.7626 -5.5648 -5.5647 -5.3752 -5.3752 -5.1165 -5.1165 -4.8991 -4.8991 -4.8664 -4.8663 -4.6440 -4.6440 -4.5386 -4.5385 -3.9245 -3.9245 -3.6769 -3.6769 -3.4485 -3.4485 -3.0947 -3.0946 -0.4283 -0.4283 0.5587 0.5588 1.9979 2.0005 2.1048 2.1093 2.6442 2.6478 3.2490 3.2514 3.7445 3.7491 k = 0.0000 0.0000 0.1703 ( 15035 PWs) bands (ev): -26.5533 -26.5533 -24.9243 -24.9243 -24.5236 -24.5236 -24.1381 -24.1381 -23.5877 -23.5877 -22.4335 -22.4335 -19.9513 -19.9513 -17.6500 -17.6500 -14.5594 -14.5594 -13.2546 -13.2546 -12.6586 -12.6586 -11.0144 -11.0144 -9.4179 -9.4179 -8.7947 -8.7947 -8.4148 -8.4148 -8.2081 -8.2081 -8.0937 -8.0937 -7.9193 -7.9193 -7.3497 -7.3497 -6.7963 -6.7963 -5.8375 -5.8375 -5.7626 -5.7626 -5.5649 -5.5649 -5.3752 -5.3752 -5.1166 -5.1165 -4.8991 -4.8991 -4.8663 -4.8663 -4.6440 -4.6439 -4.5384 -4.5384 -3.9245 -3.9245 -3.6769 -3.6769 -3.4485 -3.4485 -3.0947 -3.0946 -0.4283 -0.4283 0.5579 0.5581 1.9984 2.0008 2.1106 2.1148 2.6585 2.6620 3.2556 3.2583 3.7048 3.7095 k = 0.0000 0.0000 0.1873 ( 15042 PWs) bands (ev): -26.5533 -26.5533 -24.9243 -24.9243 -24.5236 -24.5236 -24.1381 -24.1381 -23.5877 -23.5877 -22.4335 -22.4335 -19.9513 -19.9513 -17.6500 -17.6500 -14.5594 -14.5594 -13.2546 -13.2546 -12.6586 -12.6586 -11.0144 -11.0144 -9.4179 -9.4179 -8.7947 -8.7947 -8.4148 -8.4148 -8.2082 -8.2081 -8.0937 -8.0937 -7.9193 -7.9193 -7.3497 -7.3497 -6.7963 -6.7963 -5.8375 -5.8375 -5.7626 -5.7626 -5.5651 -5.5651 -5.3751 -5.3751 -5.1166 -5.1166 -4.8991 -4.8990 -4.8662 -4.8662 -4.6440 -4.6439 -4.5383 -4.5383 -3.9245 -3.9245 -3.6769 -3.6769 -3.4485 -3.4485 -3.0946 -3.0946 -0.4283 -0.4283 0.5572 0.5574 1.9989 2.0010 2.1161 2.1199 2.6731 2.6766 3.2638 3.2668 3.6623 3.6671 k = 0.0000 0.0000 0.2044 ( 15044 PWs) bands (ev): -26.5533 -26.5533 -24.9243 -24.9243 -24.5236 -24.5236 -24.1381 -24.1381 -23.5877 -23.5877 -22.4335 -22.4335 -19.9512 -19.9512 -17.6500 -17.6500 -14.5594 -14.5594 -13.2546 -13.2546 -12.6586 -12.6586 -11.0144 -11.0144 -9.4179 -9.4179 -8.7947 -8.7946 -8.4148 -8.4148 -8.2082 -8.2082 -8.0937 -8.0937 -7.9193 -7.9193 -7.3497 -7.3497 -6.7964 -6.7964 -5.8375 -5.8375 -5.7626 -5.7626 -5.5652 -5.5652 -5.3751 -5.3751 -5.1166 -5.1166 -4.8990 -4.8990 -4.8662 -4.8661 -4.6440 -4.6439 -4.5382 -4.5381 -3.9245 -3.9245 -3.6769 -3.6769 -3.4485 -3.4485 -3.0946 -3.0946 -0.4282 -0.4282 0.5566 0.5567 1.9994 2.0012 2.1211 2.1244 2.6876 2.6908 3.2739 3.2771 3.6189 3.6236 k = 0.0000 0.0000 0.2214 ( 15039 PWs) bands (ev): -26.5533 -26.5533 -24.9243 -24.9243 -24.5236 -24.5236 -24.1381 -24.1381 -23.5877 -23.5877 -22.4335 -22.4335 -19.9512 -19.9512 -17.6500 -17.6500 -14.5594 -14.5594 -13.2546 -13.2546 -12.6586 -12.6586 -11.0144 -11.0144 -9.4179 -9.4179 -8.7946 -8.7946 -8.4148 -8.4148 -8.2082 -8.2082 -8.0937 -8.0937 -7.9193 -7.9193 -7.3497 -7.3497 -6.7964 -6.7964 -5.8375 -5.8375 -5.7626 -5.7626 -5.5654 -5.5653 -5.3751 -5.3751 -5.1167 -5.1167 -4.8990 -4.8990 -4.8661 -4.8661 -4.6439 -4.6439 -4.5381 -4.5380 -3.9245 -3.9245 -3.6769 -3.6769 -3.4485 -3.4485 -3.0946 -3.0946 -0.4282 -0.4282 0.5561 0.5562 1.9998 2.0013 2.1254 2.1282 2.7012 2.7039 3.2860 3.2893 3.5763 3.5808 k = 0.0000 0.0000 0.2384 ( 15026 PWs) bands (ev): -26.5533 -26.5533 -24.9243 -24.9243 -24.5236 -24.5236 -24.1381 -24.1381 -23.5877 -23.5877 -22.4335 -22.4335 -19.9512 -19.9512 -17.6500 -17.6500 -14.5594 -14.5594 -13.2545 -13.2545 -12.6586 -12.6586 -11.0144 -11.0144 -9.4179 -9.4179 -8.7946 -8.7946 -8.4148 -8.4148 -8.2082 -8.2082 -8.0937 -8.0937 -7.9193 -7.9193 -7.3497 -7.3497 -6.7964 -6.7964 -5.8375 -5.8375 -5.7626 -5.7626 -5.5655 -5.5654 -5.3750 -5.3750 -5.1167 -5.1167 -4.8990 -4.8990 -4.8661 -4.8661 -4.6439 -4.6439 -4.5380 -4.5380 -3.9245 -3.9245 -3.6769 -3.6769 -3.4485 -3.4485 -3.0946 -3.0946 -0.4282 -0.4282 0.5557 0.5557 2.0002 2.0013 2.1290 2.1311 2.7131 2.7152 3.2999 3.3031 3.5366 3.5408 k = 0.0000 0.0000 0.2554 ( 15026 PWs) bands (ev): -26.5533 -26.5533 -24.9243 -24.9243 -24.5236 -24.5236 -24.1381 -24.1381 -23.5877 -23.5877 -22.4335 -22.4335 -19.9512 -19.9512 -17.6500 -17.6500 -14.5594 -14.5594 -13.2545 -13.2545 -12.6586 -12.6586 -11.0144 -11.0144 -9.4179 -9.4179 -8.7946 -8.7946 -8.4148 -8.4148 -8.2082 -8.2082 -8.0937 -8.0937 -7.9193 -7.9193 -7.3497 -7.3497 -6.7965 -6.7965 -5.8375 -5.8375 -5.7626 -5.7626 -5.5655 -5.5655 -5.3750 -5.3750 -5.1167 -5.1167 -4.8990 -4.8990 -4.8660 -4.8660 -4.6439 -4.6439 -4.5379 -4.5379 -3.9245 -3.9245 -3.6769 -3.6769 -3.4485 -3.4485 -3.0946 -3.0946 -0.4282 -0.4282 0.5553 0.5554 2.0005 2.0012 2.1317 2.1332 2.7224 2.7239 3.3147 3.3176 3.5025 3.5060 k = 0.0000 0.0000 0.2725 ( 15027 PWs) bands (ev): -26.5533 -26.5533 -24.9243 -24.9243 -24.5236 -24.5236 -24.1381 -24.1381 -23.5877 -23.5877 -22.4335 -22.4335 -19.9512 -19.9512 -17.6500 -17.6500 -14.5594 -14.5594 -13.2545 -13.2545 -12.6586 -12.6586 -11.0144 -11.0144 -9.4179 -9.4179 -8.7946 -8.7946 -8.4148 -8.4148 -8.2082 -8.2082 -8.0937 -8.0937 -7.9193 -7.9193 -7.3497 -7.3497 -6.7965 -6.7965 -5.8375 -5.8375 -5.7626 -5.7626 -5.5656 -5.5656 -5.3750 -5.3750 -5.1167 -5.1167 -4.8990 -4.8990 -4.8660 -4.8660 -4.6439 -4.6439 -4.5379 -4.5379 -3.9245 -3.9245 -3.6769 -3.6769 -3.4485 -3.4485 -3.0946 -3.0946 -0.4282 -0.4282 0.5552 0.5552 2.0007 2.0011 2.1335 2.1343 2.7285 2.7293 3.3279 3.3297 3.4781 3.4802 k = 0.0000 0.0000 0.2895 ( 15026 PWs) bands (ev): -26.5533 -26.5533 -24.9243 -24.9243 -24.5236 -24.5236 -24.1381 -24.1381 -23.5877 -23.5877 -22.4335 -22.4335 -19.9512 -19.9512 -17.6500 -17.6500 -14.5594 -14.5594 -13.2545 -13.2545 -12.6586 -12.6586 -11.0144 -11.0144 -9.4179 -9.4179 -8.7946 -8.7946 -8.4148 -8.4148 -8.2082 -8.2082 -8.0937 -8.0937 -7.9193 -7.9193 -7.3497 -7.3497 -6.7965 -6.7965 -5.8375 -5.8375 -5.7626 -5.7626 -5.5656 -5.5656 -5.3750 -5.3750 -5.1167 -5.1167 -4.8990 -4.8990 -4.8660 -4.8660 -4.6439 -4.6439 -4.5379 -4.5379 -3.9245 -3.9245 -3.6769 -3.6769 -3.4485 -3.4485 -3.0946 -3.0946 -0.4282 -0.4282 0.5551 0.5551 2.0010 2.0010 2.1344 2.1344 2.7309 2.7309 3.3342 3.3342 3.4695 3.4695 k = 0.5000-0.0691 0.2402 ( 14998 PWs) bands (ev): -26.5490 -26.5490 -24.9236 -24.9236 -24.5304 -24.5304 -24.1402 -24.1402 -23.5687 -23.5687 -22.4412 -22.4412 -19.9785 -19.9785 -17.6703 -17.6703 -14.5240 -14.5240 -13.2515 -13.2515 -12.6349 -12.6349 -11.0577 -11.0577 -9.3659 -9.3659 -8.7665 -8.7665 -8.5801 -8.5801 -8.1883 -8.1883 -8.0532 -8.0532 -7.8795 -7.8795 -7.3328 -7.3328 -6.6847 -6.6847 -5.8482 -5.8482 -5.6694 -5.6694 -5.5063 -5.5063 -5.3143 -5.3143 -5.1165 -5.1165 -4.9278 -4.9278 -4.8623 -4.8623 -4.7406 -4.7406 -4.5897 -4.5897 -3.9135 -3.9135 -3.6740 -3.6740 -3.4678 -3.4678 -3.1115 -3.1115 -0.6692 -0.6692 0.4604 0.4604 1.9252 1.9252 2.0928 2.0928 3.1181 3.1181 3.4859 3.4859 4.0986 4.0986 k = 0.4848-0.0670 0.2329 ( 14999 PWs) bands (ev): -26.5490 -26.5490 -24.9236 -24.9236 -24.5304 -24.5304 -24.1402 -24.1402 -23.5688 -23.5688 -22.4412 -22.4412 -19.9785 -19.9785 -17.6703 -17.6703 -14.5241 -14.5241 -13.2516 -13.2515 -12.6349 -12.6349 -11.0577 -11.0576 -9.3660 -9.3660 -8.7667 -8.7664 -8.5800 -8.5797 -8.1884 -8.1881 -8.0534 -8.0531 -7.8797 -7.8794 -7.3329 -7.3328 -6.6851 -6.6849 -5.8481 -5.8480 -5.6700 -5.6694 -5.5067 -5.5064 -5.3148 -5.3142 -5.1170 -5.1155 -4.9287 -4.9266 -4.8629 -4.8616 -4.7408 -4.7404 -4.5901 -4.5891 -3.9136 -3.9135 -3.6741 -3.6740 -3.4678 -3.4677 -3.1116 -3.1113 -0.6687 -0.6685 0.4604 0.4607 1.9252 1.9256 2.0927 2.0928 3.1165 3.1169 3.4848 3.4855 4.0790 4.0798 k = 0.4697-0.0649 0.2256 ( 15008 PWs) bands (ev): -26.5491 -26.5491 -24.9236 -24.9236 -24.5304 -24.5304 -24.1401 -24.1401 -23.5689 -23.5689 -22.4412 -22.4412 -19.9783 -19.9783 -17.6701 -17.6701 -14.5243 -14.5243 -13.2516 -13.2515 -12.6351 -12.6351 -11.0574 -11.0573 -9.3664 -9.3663 -8.7671 -8.7664 -8.5793 -8.5787 -8.1883 -8.1877 -8.0539 -8.0533 -7.8800 -7.8796 -7.3330 -7.3329 -6.6862 -6.6859 -5.8478 -5.8475 -5.6711 -5.6698 -5.5076 -5.5070 -5.3154 -5.3143 -5.1169 -5.1140 -4.9294 -4.9253 -4.8633 -4.8607 -4.7409 -4.7403 -4.5904 -4.5883 -3.9138 -3.9135 -3.6743 -3.6739 -3.4677 -3.4675 -3.1118 -3.1111 -0.6671 -0.6668 0.4609 0.4615 1.9258 1.9265 2.0925 2.0928 3.1121 3.1129 3.4820 3.4835 4.0419 4.0431 k = 0.4545-0.0628 0.2183 ( 15005 PWs) bands (ev): -26.5491 -26.5491 -24.9236 -24.9236 -24.5303 -24.5303 -24.1401 -24.1401 -23.5691 -23.5691 -22.4411 -22.4411 -19.9780 -19.9780 -17.6699 -17.6699 -14.5248 -14.5247 -13.2516 -13.2516 -12.6354 -12.6353 -11.0569 -11.0568 -9.3670 -9.3669 -8.7675 -8.7665 -8.5780 -8.5772 -8.1880 -8.1872 -8.0545 -8.0536 -7.8806 -7.8799 -7.3333 -7.3330 -6.6880 -6.6875 -5.8473 -5.8468 -5.6727 -5.6708 -5.5090 -5.5081 -5.3164 -5.3147 -5.1162 -5.1120 -4.9299 -4.9238 -4.8635 -4.8596 -4.7410 -4.7401 -4.5905 -4.5873 -3.9140 -3.9136 -3.6744 -3.6739 -3.4676 -3.4673 -3.1119 -3.1109 -0.6643 -0.6639 0.4618 0.4628 1.9268 1.9279 2.0923 2.0928 3.1049 3.1061 3.4777 3.4800 4.0035 4.0050 k = 0.4394-0.0607 0.2111 ( 15004 PWs) bands (ev): -26.5492 -26.5492 -24.9236 -24.9236 -24.5302 -24.5302 -24.1401 -24.1401 -23.5694 -23.5694 -22.4410 -22.4410 -19.9776 -19.9776 -17.6696 -17.6696 -14.5253 -14.5252 -13.2517 -13.2516 -12.6358 -12.6357 -11.0563 -11.0561 -9.3679 -9.3677 -8.7681 -8.7668 -8.5762 -8.5752 -8.1877 -8.1865 -8.0553 -8.0541 -7.8813 -7.8804 -7.3337 -7.3333 -6.6905 -6.6898 -5.8465 -5.8458 -5.6748 -5.6723 -5.5109 -5.5097 -5.3176 -5.3154 -5.1151 -5.1095 -4.9303 -4.9222 -4.8636 -4.8583 -4.7411 -4.7399 -4.5904 -4.5862 -3.9143 -3.9138 -3.6746 -3.6740 -3.4674 -3.4670 -3.1119 -3.1106 -0.6605 -0.6599 0.4631 0.4644 1.9283 1.9297 2.0920 2.0927 3.0949 3.0964 3.4720 3.4749 3.9679 3.9697 k = 0.4242-0.0586 0.2038 ( 15002 PWs) bands (ev): -26.5493 -26.5493 -24.9236 -24.9236 -24.5301 -24.5301 -24.1401 -24.1401 -23.5698 -23.5698 -22.4408 -22.4408 -19.9771 -19.9770 -17.6692 -17.6692 -14.5260 -14.5259 -13.2517 -13.2516 -12.6363 -12.6362 -11.0555 -11.0553 -9.3689 -9.3687 -8.7688 -8.7672 -8.5738 -8.5726 -8.1872 -8.1858 -8.0563 -8.0548 -7.8822 -7.8810 -7.3341 -7.3337 -6.6936 -6.6928 -5.8454 -5.8446 -5.6773 -5.6743 -5.5132 -5.5118 -5.3190 -5.3163 -5.1134 -5.1068 -4.9305 -4.9204 -4.8635 -4.8570 -4.7411 -4.7396 -4.5900 -4.5849 -3.9146 -3.9140 -3.6749 -3.6741 -3.4671 -3.4666 -3.1120 -3.1104 -0.6556 -0.6549 0.4649 0.4664 1.9302 1.9319 2.0917 2.0925 3.0822 3.0839 3.4650 3.4684 3.9364 3.9386 k = 0.4091-0.0565 0.1965 ( 14998 PWs) bands (ev): -26.5494 -26.5494 -24.9236 -24.9236 -24.5299 -24.5299 -24.1400 -24.1400 -23.5702 -23.5702 -22.4406 -22.4406 -19.9764 -19.9764 -17.6687 -17.6687 -14.5269 -14.5268 -13.2518 -13.2517 -12.6368 -12.6367 -11.0545 -11.0542 -9.3702 -9.3699 -8.7696 -8.7677 -8.5709 -8.5695 -8.1867 -8.1850 -8.0574 -8.0557 -7.8832 -7.8818 -7.3346 -7.3341 -6.6972 -6.6962 -5.8441 -5.8431 -5.6804 -5.6768 -5.5158 -5.5142 -5.3206 -5.3175 -5.1113 -5.1037 -4.9305 -4.9186 -4.8633 -4.8555 -4.7410 -4.7393 -4.5894 -4.5834 -3.9150 -3.9142 -3.6751 -3.6742 -3.4667 -3.4662 -3.1119 -3.1101 -0.6498 -0.6490 0.4670 0.4688 1.9326 1.9346 2.0913 2.0922 3.0668 3.0687 3.4568 3.4607 3.9095 3.9119 k = 0.3939-0.0545 0.1892 ( 15002 PWs) bands (ev): -26.5495 -26.5495 -24.9236 -24.9236 -24.5297 -24.5297 -24.1399 -24.1399 -23.5708 -23.5707 -22.4404 -22.4404 -19.9757 -19.9756 -17.6682 -17.6681 -14.5279 -14.5277 -13.2519 -13.2517 -12.6375 -12.6374 -11.0533 -11.0530 -9.3717 -9.3714 -8.7704 -8.7684 -8.5674 -8.5659 -8.1860 -8.1841 -8.0587 -8.0567 -7.8843 -7.8828 -7.3352 -7.3346 -6.7014 -6.7002 -5.8426 -5.8414 -5.6838 -5.6797 -5.5187 -5.5170 -5.3224 -5.3190 -5.1090 -5.1006 -4.9305 -4.9168 -4.8630 -4.8540 -4.7408 -4.7387 -4.5885 -4.5817 -3.9154 -3.9145 -3.6754 -3.6743 -3.4663 -3.4657 -3.1118 -3.1097 -0.6430 -0.6421 0.4695 0.4716 1.9353 1.9376 2.0909 2.0919 3.0489 3.0509 3.4477 3.4520 3.8870 3.8897 k = 0.3788-0.0524 0.1820 ( 15000 PWs) bands (ev): -26.5496 -26.5496 -24.9237 -24.9237 -24.5295 -24.5295 -24.1399 -24.1399 -23.5714 -23.5713 -22.4401 -22.4401 -19.9748 -19.9748 -17.6675 -17.6675 -14.5290 -14.5288 -13.2520 -13.2518 -12.6383 -12.6381 -11.0520 -11.0517 -9.3734 -9.3730 -8.7714 -8.7691 -8.5634 -8.5618 -8.1854 -8.1831 -8.0602 -8.0580 -7.8856 -7.8839 -7.3359 -7.3352 -6.7060 -6.7047 -5.8408 -5.8396 -5.6877 -5.6832 -5.5219 -5.5200 -5.3243 -5.3207 -5.1063 -5.0973 -4.9303 -4.9150 -4.8626 -4.8525 -4.7404 -4.7380 -4.5874 -4.5799 -3.9159 -3.9149 -3.6756 -3.6745 -3.4658 -3.4651 -3.1117 -3.1093 -0.6354 -0.6343 0.4724 0.4747 1.9383 1.9408 2.0903 2.0915 3.0287 3.0308 3.4380 3.4425 3.8688 3.8717 k = 0.3636-0.0503 0.1747 ( 15008 PWs) bands (ev): -26.5498 -26.5498 -24.9237 -24.9237 -24.5293 -24.5293 -24.1398 -24.1398 -23.5720 -23.5720 -22.4399 -22.4399 -19.9739 -19.9739 -17.6668 -17.6668 -14.5302 -14.5300 -13.2521 -13.2519 -12.6391 -12.6389 -11.0506 -11.0502 -9.3752 -9.3748 -8.7724 -8.7700 -8.5589 -8.5572 -8.1847 -8.1822 -8.0618 -8.0593 -7.8870 -7.8851 -7.3366 -7.3358 -6.7109 -6.7095 -5.8389 -5.8375 -5.6920 -5.6871 -5.5253 -5.5233 -5.3264 -5.3226 -5.1036 -5.0942 -4.9300 -4.9132 -4.8621 -4.8511 -4.7397 -4.7369 -4.5859 -4.5779 -3.9164 -3.9153 -3.6759 -3.6746 -3.4652 -3.4645 -3.1115 -3.1089 -0.6269 -0.6258 0.4756 0.4782 1.9416 1.9444 2.0897 2.0910 3.0065 3.0086 3.4277 3.4323 3.8546 3.8576 k = 0.3485-0.0482 0.1674 ( 15007 PWs) bands (ev): -26.5499 -26.5499 -24.9237 -24.9237 -24.5290 -24.5290 -24.1397 -24.1397 -23.5727 -23.5727 -22.4396 -22.4396 -19.9729 -19.9728 -17.6661 -17.6660 -14.5315 -14.5314 -13.2522 -13.2520 -12.6400 -12.6398 -11.0490 -11.0486 -9.3772 -9.3768 -8.7735 -8.7710 -8.5539 -8.5521 -8.1840 -8.1813 -8.0636 -8.0608 -7.8885 -7.8864 -7.3374 -7.3365 -6.7162 -6.7147 -5.8368 -5.8353 -5.6967 -5.6914 -5.5288 -5.5267 -5.3287 -5.3247 -5.1008 -5.0912 -4.9296 -4.9116 -4.8617 -4.8499 -4.7387 -4.7354 -4.5842 -4.5757 -3.9169 -3.9157 -3.6762 -3.6748 -3.4646 -3.4638 -3.1112 -3.1083 -0.6178 -0.6165 0.4792 0.4820 1.9451 1.9481 2.0891 2.0904 2.9826 2.9847 3.4170 3.4216 3.8438 3.8469 k = 0.3333-0.0461 0.1601 ( 15014 PWs) bands (ev): -26.5501 -26.5501 -24.9237 -24.9237 -24.5287 -24.5287 -24.1397 -24.1397 -23.5735 -23.5735 -22.4393 -22.4392 -19.9718 -19.9717 -17.6653 -17.6652 -14.5330 -14.5328 -13.2523 -13.2521 -12.6410 -12.6408 -11.0473 -11.0469 -9.3793 -9.3788 -8.7747 -8.7720 -8.5485 -8.5467 -8.1835 -8.1806 -8.0654 -8.0625 -7.8901 -7.8878 -7.3381 -7.3373 -6.7217 -6.7201 -5.8345 -5.8329 -5.7017 -5.6962 -5.5323 -5.5302 -5.3310 -5.3270 -5.0981 -5.0885 -4.9291 -4.9101 -4.8614 -4.8489 -4.7373 -4.7335 -4.5823 -4.5733 -3.9174 -3.9161 -3.6765 -3.6750 -3.4639 -3.4631 -3.1108 -3.1078 -0.6081 -0.6067 0.4830 0.4860 1.9489 1.9520 2.0883 2.0898 2.9574 2.9596 3.4061 3.4106 3.8360 3.8392 k = 0.3182-0.0440 0.1528 ( 14999 PWs) bands (ev): -26.5503 -26.5503 -24.9238 -24.9238 -24.5285 -24.5284 -24.1396 -24.1396 -23.5743 -23.5743 -22.4389 -22.4389 -19.9706 -19.9706 -17.6644 -17.6644 -14.5345 -14.5343 -13.2524 -13.2522 -12.6420 -12.6418 -11.0455 -11.0451 -9.3816 -9.3811 -8.7759 -8.7732 -8.5426 -8.5408 -8.1830 -8.1799 -8.0674 -8.0642 -7.8917 -7.8893 -7.3390 -7.3381 -6.7274 -6.7257 -5.8321 -5.8304 -5.7070 -5.7013 -5.5359 -5.5338 -5.3335 -5.3294 -5.0956 -5.0861 -4.9285 -4.9087 -4.8612 -4.8482 -4.7354 -4.7311 -4.5801 -4.5709 -3.9179 -3.9166 -3.6767 -3.6752 -3.4632 -3.4623 -3.1103 -3.1072 -0.5978 -0.5964 0.4871 0.4903 1.9527 1.9560 2.0875 2.0890 2.9314 2.9336 3.3950 3.3993 3.8308 3.8341 k = 0.3030-0.0419 0.1456 ( 15007 PWs) bands (ev): -26.5505 -26.5505 -24.9238 -24.9238 -24.5282 -24.5282 -24.1395 -24.1395 -23.5751 -23.5751 -22.4386 -22.4386 -19.9694 -19.9694 -17.6635 -17.6635 -14.5360 -14.5358 -13.2526 -13.2523 -12.6431 -12.6428 -11.0436 -11.0432 -9.3839 -9.3834 -8.7772 -8.7744 -8.5363 -8.5345 -8.1826 -8.1793 -8.0694 -8.0661 -7.8934 -7.8909 -7.3398 -7.3389 -6.7332 -6.7314 -5.8297 -5.8278 -5.7126 -5.7067 -5.5393 -5.5373 -5.3360 -5.3319 -5.0934 -5.0843 -4.9277 -4.9074 -4.8611 -4.8479 -4.7329 -4.7281 -4.5777 -4.5683 -3.9185 -3.9171 -3.6769 -3.6754 -3.4624 -3.4615 -3.1098 -3.1065 -0.5871 -0.5856 0.4915 0.4947 1.9566 1.9599 2.0867 2.0882 2.9049 2.9071 3.3837 3.3878 3.8279 3.8311 k = 0.2879-0.0398 0.1383 ( 15008 PWs) bands (ev): -26.5507 -26.5507 -24.9238 -24.9238 -24.5278 -24.5278 -24.1394 -24.1394 -23.5760 -23.5760 -22.4382 -22.4382 -19.9682 -19.9682 -17.6626 -17.6625 -14.5376 -14.5374 -13.2527 -13.2525 -12.6441 -12.6439 -11.0417 -11.0412 -9.3863 -9.3857 -8.7784 -8.7757 -8.5297 -8.5279 -8.1825 -8.1790 -8.0714 -8.0680 -7.8951 -7.8925 -7.3407 -7.3397 -6.7390 -6.7371 -5.8272 -5.8253 -5.7184 -5.7124 -5.5427 -5.5407 -5.3386 -5.3345 -5.0916 -5.0829 -4.9268 -4.9063 -4.8613 -4.8479 -4.7298 -4.7246 -4.5751 -4.5656 -3.9190 -3.9176 -3.6771 -3.6755 -3.4616 -3.4606 -3.1091 -3.1057 -0.5761 -0.5746 0.4960 0.4994 1.9606 1.9639 2.0857 2.0872 2.8782 2.8805 3.3722 3.3761 3.8267 3.8300 k = 0.2727-0.0377 0.1310 ( 15010 PWs) bands (ev): -26.5509 -26.5509 -24.9239 -24.9239 -24.5275 -24.5275 -24.1393 -24.1393 -23.5769 -23.5769 -22.4379 -22.4378 -19.9669 -19.9669 -17.6616 -17.6616 -14.5393 -14.5391 -13.2528 -13.2526 -12.6453 -12.6450 -11.0396 -11.0392 -9.3887 -9.3882 -8.7798 -8.7771 -8.5227 -8.5210 -8.1825 -8.1789 -8.0735 -8.0700 -7.8969 -7.8942 -7.3415 -7.3405 -6.7447 -6.7427 -5.8248 -5.8227 -5.7243 -5.7183 -5.5459 -5.5439 -5.3413 -5.3372 -5.0903 -5.0822 -4.9256 -4.9053 -4.8616 -4.8483 -4.7261 -4.7205 -4.5725 -4.5629 -3.9196 -3.9181 -3.6773 -3.6757 -3.4607 -3.4598 -3.1084 -3.1050 -0.5648 -0.5633 0.5007 0.5041 1.9644 1.9677 2.0847 2.0863 2.8516 2.8540 3.3607 3.3644 3.8272 3.8304 k = 0.2576-0.0356 0.1237 ( 15013 PWs) bands (ev): -26.5511 -26.5511 -24.9239 -24.9239 -24.5272 -24.5272 -24.1392 -24.1392 -23.5778 -23.5778 -22.4375 -22.4375 -19.9656 -19.9656 -17.6607 -17.6606 -14.5410 -14.5408 -13.2530 -13.2527 -12.6464 -12.6461 -11.0376 -11.0371 -9.3912 -9.3907 -8.7811 -8.7784 -8.5154 -8.5138 -8.1827 -8.1790 -8.0756 -8.0720 -7.8987 -7.8960 -7.3424 -7.3414 -6.7503 -6.7483 -5.8224 -5.8203 -5.7302 -5.7244 -5.5489 -5.5470 -5.3439 -5.3400 -5.0896 -5.0821 -4.9243 -4.9043 -4.8620 -4.8491 -4.7217 -4.7159 -4.5697 -4.5603 -3.9201 -3.9186 -3.6775 -3.6759 -3.4598 -3.4588 -3.1076 -3.1041 -0.5535 -0.5519 0.5055 0.5090 1.9682 1.9714 2.0837 2.0853 2.8255 2.8281 3.3490 3.3525 3.8289 3.8320 k = 0.2424-0.0335 0.1165 ( 15011 PWs) bands (ev): -26.5513 -26.5513 -24.9239 -24.9239 -24.5269 -24.5269 -24.1391 -24.1391 -23.5787 -23.5787 -22.4371 -22.4371 -19.9643 -19.9643 -17.6597 -17.6597 -14.5427 -14.5424 -13.2531 -13.2529 -12.6475 -12.6473 -11.0355 -11.0350 -9.3937 -9.3931 -8.7824 -8.7798 -8.5079 -8.5064 -8.1832 -8.1794 -8.0776 -8.0741 -7.9005 -7.8978 -7.3432 -7.3422 -6.7557 -6.7536 -5.8202 -5.8180 -5.7361 -5.7304 -5.5516 -5.5499 -5.3466 -5.3428 -5.0894 -5.0825 -4.9229 -4.9034 -4.8626 -4.8502 -4.7168 -4.7109 -4.5669 -4.5576 -3.9206 -3.9191 -3.6776 -3.6760 -3.4589 -3.4579 -3.1068 -3.1033 -0.5421 -0.5405 0.5104 0.5139 1.9718 1.9749 2.0826 2.0842 2.8000 2.8027 3.3374 3.3406 3.8316 3.8347 k = 0.2273-0.0314 0.1092 ( 15017 PWs) bands (ev): -26.5515 -26.5515 -24.9240 -24.9240 -24.5266 -24.5266 -24.1390 -24.1390 -23.5796 -23.5796 -22.4368 -22.4367 -19.9630 -19.9630 -17.6587 -17.6587 -14.5443 -14.5441 -13.2533 -13.2530 -12.6486 -12.6484 -11.0335 -11.0330 -9.3961 -9.3956 -8.7837 -8.7812 -8.5002 -8.4988 -8.1840 -8.1802 -8.0796 -8.0761 -7.9023 -7.8996 -7.3440 -7.3430 -6.7608 -6.7588 -5.8184 -5.8161 -5.7418 -5.7364 -5.5541 -5.5525 -5.3493 -5.3456 -5.0898 -5.0836 -4.9212 -4.9026 -4.8633 -4.8515 -4.7114 -4.7056 -4.5642 -4.5550 -3.9211 -3.9196 -3.6777 -3.6761 -3.4580 -3.4570 -3.1059 -3.1024 -0.5308 -0.5292 0.5153 0.5188 1.9752 1.9781 2.0815 2.0832 2.7754 2.7782 3.3259 3.3289 3.8353 3.8383 k = 0.2121-0.0293 0.1019 ( 15010 PWs) bands (ev): -26.5517 -26.5517 -24.9240 -24.9240 -24.5262 -24.5262 -24.1389 -24.1389 -23.5805 -23.5805 -22.4364 -22.4364 -19.9618 -19.9617 -17.6578 -17.6578 -14.5460 -14.5458 -13.2534 -13.2532 -12.6497 -12.6495 -11.0314 -11.0309 -9.3986 -9.3980 -8.7850 -8.7826 -8.4923 -8.4911 -8.1850 -8.1812 -8.0815 -8.0780 -7.9041 -7.9014 -7.3447 -7.3438 -6.7657 -6.7637 -5.8169 -5.8145 -5.7471 -5.7420 -5.5563 -5.5548 -5.3520 -5.3485 -5.0907 -5.0852 -4.9195 -4.9018 -4.8639 -4.8530 -4.7056 -4.6999 -4.5614 -4.5525 -3.9216 -3.9201 -3.6778 -3.6762 -3.4570 -3.4561 -3.1049 -3.1015 -0.5196 -0.5181 0.5202 0.5236 1.9784 1.9810 2.0804 2.0822 2.7518 2.7547 3.3145 3.3174 3.8396 3.8425 k = 0.1970-0.0272 0.0946 ( 15010 PWs) bands (ev): -26.5518 -26.5518 -24.9240 -24.9240 -24.5259 -24.5259 -24.1388 -24.1388 -23.5814 -23.5813 -22.4360 -22.4360 -19.9605 -19.9605 -17.6569 -17.6568 -14.5476 -14.5474 -13.2536 -13.2533 -12.6508 -12.6506 -11.0294 -11.0290 -9.4009 -9.4004 -8.7863 -8.7840 -8.4844 -8.4833 -8.1864 -8.1826 -8.0834 -8.0799 -7.9059 -7.9032 -7.3454 -7.3445 -6.7702 -6.7682 -5.8160 -5.8135 -5.7520 -5.7473 -5.5581 -5.5568 -5.3546 -5.3513 -5.0922 -5.0873 -4.9176 -4.9010 -4.8646 -4.8546 -4.6996 -4.6941 -4.5588 -4.5501 -3.9220 -3.9206 -3.6778 -3.6763 -3.4561 -3.4552 -3.1040 -3.1007 -0.5088 -0.5073 0.5250 0.5284 1.9812 1.9837 2.0792 2.0812 2.7294 2.7324 3.3035 3.3062 3.8445 3.8472 k = 0.1818-0.0251 0.0873 ( 15016 PWs) bands (ev): -26.5520 -26.5520 -24.9241 -24.9241 -24.5256 -24.5256 -24.1387 -24.1387 -23.5822 -23.5822 -22.4357 -22.4357 -19.9593 -19.9593 -17.6560 -17.6559 -14.5491 -14.5490 -13.2537 -13.2535 -12.6519 -12.6516 -11.0275 -11.0270 -9.4032 -9.4027 -8.7875 -8.7853 -8.4765 -8.4755 -8.1879 -8.1842 -8.0851 -8.0818 -7.9076 -7.9050 -7.3461 -7.3452 -6.7744 -6.7724 -5.8158 -5.8131 -5.7561 -5.7519 -5.5597 -5.5586 -5.3572 -5.3541 -5.0941 -5.0897 -4.9157 -4.9003 -4.8653 -4.8562 -4.6934 -4.6882 -4.5563 -4.5480 -3.9224 -3.9211 -3.6778 -3.6764 -3.4552 -3.4543 -3.1030 -3.0998 -0.4983 -0.4968 0.5297 0.5330 1.9838 1.9860 2.0781 2.0802 2.7082 2.7112 3.2930 3.2954 3.8497 3.8523 k = 0.1667-0.0230 0.0801 ( 15024 PWs) bands (ev): -26.5522 -26.5522 -24.9241 -24.9241 -24.5253 -24.5253 -24.1387 -24.1387 -23.5830 -23.5830 -22.4354 -22.4354 -19.9582 -19.9581 -17.6551 -17.6551 -14.5506 -14.5504 -13.2538 -13.2536 -12.6529 -12.6526 -11.0256 -11.0252 -9.4054 -9.4049 -8.7886 -8.7866 -8.4687 -8.4678 -8.1898 -8.1862 -8.0866 -8.0835 -7.9093 -7.9068 -7.3467 -7.3458 -6.7782 -6.7763 -5.8164 -5.8136 -5.7594 -5.7558 -5.5610 -5.5601 -5.3597 -5.3568 -5.0963 -5.0925 -4.9137 -4.8996 -4.8658 -4.8578 -4.6872 -4.6823 -4.5539 -4.5460 -3.9228 -3.9215 -3.6778 -3.6764 -3.4543 -3.4534 -3.1020 -3.0990 -0.4882 -0.4868 0.5343 0.5374 1.9861 1.9880 2.0770 2.0793 2.6884 2.6914 3.2830 3.2853 3.8552 3.8576 k = 0.1515-0.0209 0.0728 ( 15025 PWs) bands (ev): -26.5524 -26.5524 -24.9241 -24.9241 -24.5251 -24.5251 -24.1386 -24.1386 -23.5837 -23.5837 -22.4351 -22.4351 -19.9571 -19.9570 -17.6543 -17.6543 -14.5520 -14.5519 -13.2540 -13.2538 -12.6538 -12.6536 -11.0238 -11.0234 -9.4074 -9.4070 -8.7897 -8.7879 -8.4610 -8.4602 -8.1918 -8.1884 -8.0880 -8.0851 -7.9109 -7.9086 -7.3473 -7.3464 -6.7816 -6.7798 -5.8177 -5.8148 -5.7618 -5.7587 -5.5620 -5.5612 -5.3621 -5.3595 -5.0988 -5.0954 -4.9118 -4.8990 -4.8663 -4.8593 -4.6811 -4.6765 -4.5517 -4.5442 -3.9232 -3.9219 -3.6777 -3.6765 -3.4534 -3.4526 -3.1011 -3.0982 -0.4787 -0.4774 0.5387 0.5416 1.9881 1.9898 2.0759 2.0784 2.6700 2.6730 3.2737 3.2758 3.8607 3.8630 k = 0.1364-0.0188 0.0655 ( 15026 PWs) bands (ev): -26.5525 -26.5525 -24.9241 -24.9241 -24.5248 -24.5248 -24.1385 -24.1385 -23.5844 -23.5844 -22.4348 -22.4348 -19.9560 -19.9560 -17.6535 -17.6535 -14.5533 -14.5532 -13.2541 -13.2539 -12.6547 -12.6545 -11.0222 -11.0218 -9.4093 -9.4089 -8.7907 -8.7890 -8.4535 -8.4529 -8.1940 -8.1907 -8.0893 -8.0866 -7.9124 -7.9103 -7.3478 -7.3470 -6.7846 -6.7830 -5.8197 -5.8169 -5.7634 -5.7608 -5.5628 -5.5621 -5.3644 -5.3620 -5.1015 -5.0984 -4.9100 -4.8985 -4.8667 -4.8607 -4.6751 -4.6709 -4.5497 -4.5427 -3.9235 -3.9223 -3.6777 -3.6765 -3.4526 -3.4519 -3.1001 -3.0975 -0.4698 -0.4686 0.5428 0.5456 1.9897 1.9913 2.0750 2.0775 2.6532 2.6560 3.2652 3.2671 3.8663 3.8683 k = 0.1212-0.0168 0.0582 ( 15024 PWs) bands (ev): -26.5527 -26.5527 -24.9242 -24.9242 -24.5246 -24.5246 -24.1384 -24.1384 -23.5851 -23.5851 -22.4345 -22.4345 -19.9551 -19.9550 -17.6528 -17.6528 -14.5546 -14.5544 -13.2542 -13.2540 -12.6555 -12.6553 -11.0206 -11.0203 -9.4111 -9.4107 -8.7916 -8.7901 -8.4464 -8.4459 -8.1963 -8.1933 -8.0904 -8.0879 -7.9138 -7.9119 -7.3482 -7.3475 -6.7873 -6.7857 -5.8223 -5.8195 -5.7642 -5.7621 -5.5633 -5.5628 -5.3666 -5.3645 -5.1041 -5.1014 -4.9082 -4.8981 -4.8669 -4.8620 -4.6695 -4.6657 -4.5478 -4.5414 -3.9237 -3.9227 -3.6776 -3.6765 -3.4518 -3.4512 -3.0992 -3.0968 -0.4616 -0.4605 0.5467 0.5492 1.9911 1.9925 2.0741 2.0766 2.6379 2.6406 3.2575 3.2592 3.8716 3.8735 k = 0.1061-0.0147 0.0509 ( 15024 PWs) bands (ev): -26.5528 -26.5528 -24.9242 -24.9242 -24.5244 -24.5244 -24.1384 -24.1384 -23.5857 -23.5857 -22.4343 -22.4343 -19.9542 -19.9542 -17.6522 -17.6522 -14.5556 -14.5555 -13.2543 -13.2542 -12.6562 -12.6561 -11.0192 -11.0189 -9.4127 -9.4123 -8.7924 -8.7911 -8.4398 -8.4393 -8.1986 -8.1959 -8.0913 -8.0892 -7.9151 -7.9134 -7.3486 -7.3480 -6.7895 -6.7881 -5.8252 -5.8225 -5.7645 -5.7628 -5.5637 -5.5632 -5.3686 -5.3667 -5.1067 -5.1044 -4.9066 -4.8978 -4.8671 -4.8631 -4.6642 -4.6608 -4.5462 -4.5404 -3.9240 -3.9231 -3.6775 -3.6766 -3.4511 -3.4505 -3.0984 -3.0962 -0.4542 -0.4532 0.5502 0.5525 1.9923 1.9935 2.0733 2.0758 2.6243 2.6268 3.2507 3.2522 3.8767 3.8783 k = 0.0909-0.0126 0.0437 ( 15028 PWs) bands (ev): -26.5529 -26.5529 -24.9242 -24.9242 -24.5242 -24.5242 -24.1383 -24.1383 -23.5862 -23.5862 -22.4341 -22.4341 -19.9535 -19.9534 -17.6516 -17.6516 -14.5566 -14.5565 -13.2544 -13.2543 -12.6568 -12.6567 -11.0180 -11.0177 -9.4141 -9.4138 -8.7931 -8.7920 -8.4337 -8.4333 -8.2009 -8.1984 -8.0921 -8.0902 -7.9163 -7.9147 -7.3489 -7.3483 -6.7914 -6.7901 -5.8281 -5.8257 -5.7644 -5.7631 -5.5639 -5.5635 -5.3704 -5.3688 -5.1091 -5.1071 -4.9051 -4.8976 -4.8672 -4.8640 -4.6594 -4.6564 -4.5447 -4.5396 -3.9242 -3.9234 -3.6774 -3.6766 -3.4505 -3.4500 -3.0976 -3.0957 -0.4476 -0.4468 0.5534 0.5554 1.9932 1.9943 2.0726 2.0750 2.6125 2.6147 3.2449 3.2462 3.8813 3.8828 k = 0.0758-0.0105 0.0364 ( 15030 PWs) bands (ev): -26.5530 -26.5530 -24.9242 -24.9242 -24.5240 -24.5240 -24.1383 -24.1383 -23.5866 -23.5866 -22.4339 -22.4339 -19.9528 -19.9528 -17.6512 -17.6511 -14.5574 -14.5574 -13.2545 -13.2544 -12.6574 -12.6573 -11.0169 -11.0167 -9.4153 -9.4150 -8.7937 -8.7927 -8.4282 -8.4279 -8.2030 -8.2009 -8.0927 -8.0912 -7.9173 -7.9159 -7.3492 -7.3487 -6.7929 -6.7919 -5.8308 -5.8287 -5.7642 -5.7631 -5.5640 -5.5637 -5.3720 -5.3706 -5.1113 -5.1096 -4.9038 -4.8975 -4.8672 -4.8648 -4.6551 -4.6525 -4.5435 -4.5390 -3.9243 -3.9236 -3.6773 -3.6766 -3.4499 -3.4495 -3.0969 -3.0953 -0.4419 -0.4412 0.5561 0.5578 1.9939 1.9949 2.0721 2.0743 2.6023 2.6043 3.2400 3.2411 3.8855 3.8867 k = 0.0606-0.0084 0.0291 ( 15017 PWs) bands (ev): -26.5531 -26.5531 -24.9242 -24.9242 -24.5239 -24.5239 -24.1382 -24.1382 -23.5870 -23.5870 -22.4338 -22.4337 -19.9523 -19.9522 -17.6507 -17.6507 -14.5581 -14.5581 -13.2545 -13.2544 -12.6578 -12.6578 -11.0160 -11.0158 -9.4162 -9.4160 -8.7942 -8.7934 -8.4236 -8.4233 -8.2049 -8.2031 -8.0932 -8.0920 -7.9181 -7.9170 -7.3494 -7.3490 -6.7941 -6.7933 -5.8332 -5.8315 -5.7638 -5.7629 -5.5640 -5.5637 -5.3733 -5.3722 -5.1132 -5.1118 -4.9026 -4.8976 -4.8672 -4.8654 -4.6515 -4.6493 -4.5423 -4.5387 -3.9244 -3.9239 -3.6772 -3.6767 -3.4495 -3.4491 -3.0963 -3.0950 -0.4372 -0.4366 0.5585 0.5599 1.9945 1.9954 2.0717 2.0736 2.5940 2.5956 3.2360 3.2369 3.8890 3.8900 k = 0.0455-0.0063 0.0218 ( 15010 PWs) bands (ev): -26.5532 -26.5532 -24.9242 -24.9242 -24.5238 -24.5238 -24.1382 -24.1382 -23.5873 -23.5873 -22.4336 -22.4336 -19.9518 -19.9518 -17.6504 -17.6504 -14.5587 -14.5586 -13.2546 -13.2545 -12.6582 -12.6581 -11.0153 -11.0151 -9.4170 -9.4169 -8.7945 -8.7940 -8.4198 -8.4196 -8.2064 -8.2051 -8.0936 -8.0926 -7.9187 -7.9179 -7.3495 -7.3492 -6.7950 -6.7943 -5.8352 -5.8339 -5.7634 -5.7628 -5.5639 -5.5638 -5.3743 -5.3735 -5.1146 -5.1136 -4.9015 -4.8978 -4.8671 -4.8659 -4.6485 -4.6468 -4.5414 -4.5386 -3.9245 -3.9241 -3.6771 -3.6767 -3.4491 -3.4488 -3.0958 -3.0948 -0.4335 -0.4330 0.5604 0.5614 1.9950 1.9957 2.0715 2.0729 2.5876 2.5888 3.2330 3.2336 3.8919 3.8926 k = 0.0303-0.0042 0.0146 ( 15008 PWs) bands (ev): -26.5532 -26.5532 -24.9242 -24.9242 -24.5237 -24.5237 -24.1381 -24.1381 -23.5875 -23.5875 -22.4335 -22.4335 -19.9515 -19.9515 -17.6502 -17.6502 -14.5591 -14.5590 -13.2546 -13.2546 -12.6584 -12.6584 -11.0147 -11.0147 -9.4176 -9.4175 -8.7948 -8.7944 -8.4170 -8.4169 -8.2075 -8.2066 -8.0938 -8.0931 -7.9191 -7.9185 -7.3496 -7.3494 -6.7956 -6.7951 -5.8366 -5.8357 -5.7630 -5.7626 -5.5638 -5.5637 -5.3750 -5.3745 -5.1156 -5.1149 -4.9006 -4.8981 -4.8670 -4.8662 -4.6462 -4.6451 -4.5406 -4.5387 -3.9246 -3.9243 -3.6770 -3.6768 -3.4488 -3.4486 -3.0953 -3.0947 -0.4307 -0.4304 0.5618 0.5625 1.9954 1.9958 2.0714 2.0724 2.5830 2.5839 3.2308 3.2313 3.8940 3.8945 k = 0.0152-0.0021 0.0073 ( 15009 PWs) bands (ev): -26.5533 -26.5533 -24.9242 -24.9242 -24.5236 -24.5236 -24.1381 -24.1381 -23.5876 -23.5876 -22.4335 -22.4335 -19.9513 -19.9513 -17.6501 -17.6501 -14.5593 -14.5593 -13.2546 -13.2546 -12.6586 -12.6586 -11.0144 -11.0144 -9.4179 -9.4178 -8.7949 -8.7947 -8.4153 -8.4152 -8.2081 -8.2076 -8.0938 -8.0935 -7.9193 -7.9190 -7.3496 -7.3495 -6.7959 -6.7957 -5.8374 -5.8369 -5.7627 -5.7626 -5.5638 -5.5637 -5.3754 -5.3751 -5.1162 -5.1158 -4.8998 -4.8986 -4.8669 -4.8665 -4.6447 -4.6442 -4.5399 -4.5389 -3.9245 -3.9244 -3.6770 -3.6768 -3.4486 -3.4485 -3.0950 -3.0947 -0.4291 -0.4289 0.5627 0.5631 1.9956 1.9959 2.0714 2.0719 2.5804 2.5808 3.2296 3.2298 3.8953 3.8956 k = 0.0000 0.0000 0.0000 ( 15013 PWs) bands (ev): -26.5533 -26.5533 -24.9242 -24.9242 -24.5236 -24.5236 -24.1381 -24.1381 -23.5877 -23.5877 -22.4335 -22.4335 -19.9513 -19.9513 -17.6500 -17.6500 -14.5594 -14.5594 -13.2546 -13.2546 -12.6586 -12.6586 -11.0143 -11.0143 -9.4180 -9.4180 -8.7948 -8.7948 -8.4147 -8.4147 -8.2081 -8.2081 -8.0937 -8.0937 -7.9192 -7.9192 -7.3496 -7.3496 -6.7959 -6.7959 -5.8375 -5.8375 -5.7626 -5.7626 -5.5637 -5.5637 -5.3754 -5.3754 -5.1163 -5.1163 -4.8991 -4.8991 -4.8667 -4.8667 -4.6440 -4.6440 -4.5393 -4.5393 -3.9245 -3.9245 -3.6769 -3.6769 -3.4485 -3.4485 -3.0948 -3.0948 -0.4285 -0.4285 0.5631 0.5631 1.9958 1.9958 2.0716 2.0716 2.5796 2.5796 3.2293 3.2293 3.8959 3.8959 k = 0.0000 0.0000 0.0000 ( 15013 PWs) bands (ev): -26.5533 -26.5533 -24.9242 -24.9242 -24.5236 -24.5236 -24.1381 -24.1381 -23.5877 -23.5877 -22.4335 -22.4335 -19.9513 -19.9513 -17.6500 -17.6500 -14.5594 -14.5594 -13.2546 -13.2546 -12.6586 -12.6586 -11.0143 -11.0143 -9.4180 -9.4180 -8.7948 -8.7948 -8.4147 -8.4147 -8.2081 -8.2081 -8.0937 -8.0937 -7.9192 -7.9192 -7.3496 -7.3496 -6.7959 -6.7959 -5.8375 -5.8375 -5.7626 -5.7626 -5.5637 -5.5637 -5.3754 -5.3754 -5.1163 -5.1163 -4.8991 -4.8991 -4.8667 -4.8667 -4.6440 -4.6440 -4.5393 -4.5393 -3.9245 -3.9245 -3.6769 -3.6769 -3.4485 -3.4485 -3.0948 -3.0948 -0.4285 -0.4285 0.5631 0.5631 1.9958 1.9958 2.0716 2.0716 2.5796 2.5796 3.2293 3.2293 3.8959 3.8959 k = 0.0000 0.0139 0.0099 ( 15010 PWs) bands (ev): -26.5533 -26.5533 -24.9243 -24.9243 -24.5236 -24.5236 -24.1381 -24.1381 -23.5877 -23.5877 -22.4335 -22.4335 -19.9513 -19.9513 -17.6500 -17.6500 -14.5594 -14.5594 -13.2546 -13.2546 -12.6587 -12.6586 -11.0143 -11.0143 -9.4179 -9.4178 -8.7950 -8.7949 -8.4148 -8.4145 -8.2086 -8.2081 -8.0938 -8.0934 -7.9193 -7.9191 -7.3500 -7.3499 -6.7958 -6.7956 -5.8371 -5.8370 -5.7625 -5.7625 -5.5638 -5.5637 -5.3758 -5.3757 -5.1164 -5.1159 -4.9032 -4.8959 -4.8701 -4.8627 -4.6444 -4.6438 -4.5396 -4.5393 -3.9245 -3.9243 -3.6770 -3.6768 -3.4485 -3.4485 -3.0948 -3.0947 -0.4286 -0.4285 0.5631 0.5631 1.9958 1.9959 2.0717 2.0720 2.5801 2.5804 3.2296 3.2297 3.8955 3.8959 k = 0.0000 0.0277 0.0198 ( 15012 PWs) bands (ev): -26.5533 -26.5533 -24.9243 -24.9243 -24.5236 -24.5236 -24.1381 -24.1381 -23.5876 -23.5876 -22.4335 -22.4335 -19.9513 -19.9513 -17.6500 -17.6500 -14.5594 -14.5594 -13.2547 -13.2546 -12.6587 -12.6586 -11.0142 -11.0142 -9.4175 -9.4173 -8.7953 -8.7952 -8.4149 -8.4141 -8.2096 -8.2086 -8.0938 -8.0930 -7.9191 -7.9187 -7.3510 -7.3508 -6.7952 -6.7950 -5.8359 -5.8357 -5.7622 -5.7622 -5.5640 -5.5638 -5.3767 -5.3765 -5.1163 -5.1154 -4.9077 -4.8944 -4.8722 -4.8584 -4.6449 -4.6437 -4.5400 -4.5394 -3.9242 -3.9240 -3.6771 -3.6767 -3.4486 -3.4485 -3.0947 -3.0945 -0.4289 -0.4288 0.5630 0.5630 1.9957 1.9960 2.0723 2.0728 2.5818 2.5825 3.2306 3.2308 3.8948 3.8956 k = 0.0000 0.0416 0.0298 ( 15020 PWs) bands (ev): -26.5532 -26.5532 -24.9244 -24.9244 -24.5236 -24.5236 -24.1382 -24.1382 -23.5876 -23.5876 -22.4335 -22.4335 -19.9513 -19.9513 -17.6501 -17.6501 -14.5594 -14.5594 -13.2547 -13.2547 -12.6587 -12.6586 -11.0141 -11.0141 -9.4168 -9.4166 -8.7959 -8.7957 -8.4148 -8.4136 -8.2110 -8.2096 -8.0936 -8.0925 -7.9188 -7.9182 -7.3526 -7.3524 -6.7943 -6.7939 -5.8339 -5.8337 -5.7617 -5.7616 -5.5643 -5.5640 -5.3782 -5.3779 -5.1160 -5.1147 -4.9126 -4.8951 -4.8722 -4.8542 -4.6455 -4.6437 -4.5406 -4.5397 -3.9238 -3.9234 -3.6772 -3.6766 -3.4488 -3.4486 -3.0945 -3.0943 -0.4294 -0.4293 0.5628 0.5628 1.9957 1.9960 2.0734 2.0742 2.5848 2.5859 3.2323 3.2327 3.8938 3.8950 k = 0.0000 0.0554 0.0397 ( 15022 PWs) bands (ev): -26.5532 -26.5532 -24.9245 -24.9245 -24.5235 -24.5235 -24.1382 -24.1382 -23.5875 -23.5875 -22.4335 -22.4335 -19.9513 -19.9513 -17.6501 -17.6501 -14.5594 -14.5594 -13.2548 -13.2547 -12.6587 -12.6586 -11.0139 -11.0139 -9.4159 -9.4156 -8.7967 -8.7965 -8.4145 -8.4130 -8.2129 -8.2110 -8.0932 -8.0918 -7.9183 -7.9175 -7.3549 -7.3545 -6.7930 -6.7925 -5.8311 -5.8308 -5.7611 -5.7609 -5.5646 -5.5643 -5.3803 -5.3799 -5.1155 -5.1138 -4.9175 -4.8978 -4.8703 -4.8500 -4.6462 -4.6439 -4.5413 -4.5402 -3.9232 -3.9227 -3.6773 -3.6766 -3.4490 -3.4488 -3.0942 -3.0940 -0.4301 -0.4300 0.5625 0.5626 1.9956 1.9960 2.0751 2.0760 2.5891 2.5905 3.2348 3.2353 3.8924 3.8940 k = 0.0000 0.0693 0.0496 ( 15024 PWs) bands (ev): -26.5532 -26.5532 -24.9246 -24.9246 -24.5235 -24.5235 -24.1382 -24.1382 -23.5874 -23.5874 -22.4335 -22.4335 -19.9513 -19.9513 -17.6501 -17.6501 -14.5594 -14.5594 -13.2549 -13.2548 -12.6588 -12.6587 -11.0137 -11.0137 -9.4147 -9.4143 -8.7977 -8.7974 -8.4142 -8.4123 -8.2152 -8.2129 -8.0928 -8.0910 -7.9176 -7.9167 -7.3576 -7.3571 -6.7913 -6.7907 -5.8276 -5.8271 -5.7602 -5.7601 -5.5650 -5.5646 -5.3830 -5.3824 -5.1148 -5.1127 -4.9226 -4.9018 -4.8675 -4.8459 -4.6470 -4.6442 -4.5421 -4.5408 -3.9224 -3.9218 -3.6774 -3.6765 -3.4492 -3.4489 -3.0939 -3.0936 -0.4309 -0.4308 0.5622 0.5623 1.9954 1.9958 2.0772 2.0783 2.5947 2.5964 3.2380 3.2386 3.8907 3.8927 k = 0.0000 0.0831 0.0595 ( 15024 PWs) bands (ev): -26.5532 -26.5532 -24.9248 -24.9248 -24.5234 -24.5234 -24.1382 -24.1382 -23.5873 -23.5873 -22.4335 -22.4335 -19.9513 -19.9513 -17.6502 -17.6502 -14.5594 -14.5594 -13.2550 -13.2549 -12.6588 -12.6587 -11.0135 -11.0134 -9.4132 -9.4128 -8.7989 -8.7985 -8.4137 -8.4114 -8.2178 -8.2152 -8.0922 -8.0901 -7.9168 -7.9157 -7.3608 -7.3603 -6.7893 -6.7886 -5.8233 -5.8228 -5.7591 -5.7590 -5.5655 -5.5651 -5.3862 -5.3856 -5.1139 -5.1114 -4.9276 -4.9064 -4.8644 -4.8421 -4.6479 -4.6447 -4.5431 -4.5415 -3.9215 -3.9208 -3.6775 -3.6765 -3.4495 -3.4492 -3.0935 -3.0931 -0.4319 -0.4318 0.5618 0.5619 1.9950 1.9954 2.0799 2.0811 2.6016 2.6035 3.2420 3.2427 3.8885 3.8908 k = 0.0000 0.0970 0.0694 ( 15030 PWs) bands (ev): -26.5531 -26.5531 -24.9250 -24.9250 -24.5233 -24.5233 -24.1382 -24.1382 -23.5871 -23.5871 -22.4335 -22.4335 -19.9513 -19.9513 -17.6502 -17.6502 -14.5594 -14.5594 -13.2551 -13.2550 -12.6588 -12.6587 -11.0132 -11.0131 -9.4116 -9.4111 -8.8002 -8.7998 -8.4131 -8.4105 -8.2208 -8.2178 -8.0915 -8.0892 -7.9159 -7.9146 -7.3645 -7.3639 -6.7871 -6.7863 -5.8184 -5.8177 -5.7579 -5.7577 -5.5660 -5.5656 -5.3899 -5.3893 -5.1128 -5.1100 -4.9326 -4.9112 -4.8611 -4.8386 -4.6490 -4.6452 -4.5442 -4.5424 -3.9204 -3.9196 -3.6776 -3.6765 -3.4498 -3.4495 -3.0930 -3.0925 -0.4331 -0.4330 0.5614 0.5615 1.9943 1.9947 2.0830 2.0843 2.6099 2.6120 3.2468 3.2476 3.8858 3.8885 k = 0.0000 0.1109 0.0793 ( 15029 PWs) bands (ev): -26.5531 -26.5531 -24.9252 -24.9252 -24.5233 -24.5233 -24.1383 -24.1383 -23.5870 -23.5870 -22.4335 -22.4335 -19.9513 -19.9513 -17.6503 -17.6503 -14.5594 -14.5594 -13.2552 -13.2551 -12.6589 -12.6587 -11.0128 -11.0128 -9.4097 -9.4092 -8.8017 -8.8012 -8.4124 -8.4095 -8.2241 -8.2208 -8.0907 -8.0883 -7.9148 -7.9134 -7.3685 -7.3678 -6.7847 -6.7838 -5.8127 -5.8119 -5.7565 -5.7563 -5.5667 -5.5661 -5.3942 -5.3935 -5.1115 -5.1083 -4.9376 -4.9162 -4.8580 -4.8353 -4.6501 -4.6460 -4.5453 -4.5433 -3.9192 -3.9183 -3.6777 -3.6765 -3.4502 -3.4498 -3.0924 -3.0919 -0.4344 -0.4343 0.5609 0.5610 1.9933 1.9937 2.0865 2.0878 2.6194 2.6216 3.2524 3.2534 3.8827 3.8857 k = 0.0000 0.1247 0.0893 ( 15032 PWs) bands (ev): -26.5530 -26.5530 -24.9254 -24.9254 -24.5232 -24.5232 -24.1383 -24.1383 -23.5868 -23.5868 -22.4335 -22.4335 -19.9513 -19.9513 -17.6503 -17.6503 -14.5594 -14.5594 -13.2553 -13.2553 -12.6589 -12.6588 -11.0125 -11.0125 -9.4076 -9.4071 -8.8034 -8.8028 -8.4116 -8.4084 -8.2277 -8.2241 -8.0899 -8.0873 -7.9137 -7.9122 -7.3728 -7.3721 -6.7820 -6.7811 -5.8066 -5.8056 -5.7549 -5.7547 -5.5673 -5.5667 -5.3991 -5.3983 -5.1100 -5.1066 -4.9424 -4.9211 -4.8551 -4.8324 -4.6513 -4.6468 -4.5464 -4.5442 -3.9179 -3.9169 -3.6779 -3.6765 -3.4506 -3.4501 -3.0918 -3.0913 -0.4359 -0.4357 0.5603 0.5605 1.9920 1.9924 2.0903 2.0917 2.6302 2.6326 3.2589 3.2600 3.8790 3.8822 k = 0.0000 0.1386 0.0992 ( 15038 PWs) bands (ev): -26.5530 -26.5530 -24.9257 -24.9257 -24.5231 -24.5231 -24.1383 -24.1383 -23.5866 -23.5866 -22.4335 -22.4335 -19.9513 -19.9513 -17.6504 -17.6504 -14.5594 -14.5594 -13.2555 -13.2554 -12.6590 -12.6588 -11.0121 -11.0121 -9.4054 -9.4048 -8.8051 -8.8045 -8.4107 -8.4072 -8.2314 -8.2276 -8.0890 -8.0863 -7.9124 -7.9109 -7.3772 -7.3765 -6.7793 -6.7783 -5.7999 -5.7988 -5.7532 -5.7528 -5.5680 -5.5674 -5.4045 -5.4037 -5.1083 -5.1047 -4.9470 -4.9260 -4.8524 -4.8298 -4.6526 -4.6478 -4.5475 -4.5452 -3.9164 -3.9154 -3.6780 -3.6765 -3.4510 -3.4505 -3.0912 -3.0906 -0.4374 -0.4373 0.5597 0.5599 1.9904 1.9908 2.0944 2.0958 2.6422 2.6446 3.2662 3.2676 3.8747 3.8782 k = 0.0000 0.1524 0.1091 ( 15043 PWs) bands (ev): -26.5529 -26.5529 -24.9260 -24.9259 -24.5230 -24.5230 -24.1384 -24.1384 -23.5864 -23.5864 -22.4335 -22.4335 -19.9513 -19.9513 -17.6505 -17.6505 -14.5594 -14.5594 -13.2556 -13.2555 -12.6590 -12.6589 -11.0117 -11.0117 -9.4030 -9.4024 -8.8069 -8.8063 -8.4096 -8.4059 -8.2354 -8.2314 -8.0881 -8.0854 -7.9112 -7.9095 -7.3818 -7.3811 -6.7765 -6.7755 -5.7929 -5.7916 -5.7511 -5.7506 -5.5688 -5.5681 -5.4103 -5.4095 -5.1065 -5.1027 -4.9514 -4.9307 -4.8500 -4.8277 -4.6539 -4.6489 -4.5485 -4.5462 -3.9150 -3.9139 -3.6781 -3.6766 -3.4514 -3.4509 -3.0905 -3.0899 -0.4390 -0.4389 0.5591 0.5593 1.9884 1.9889 2.0986 2.1000 2.6553 2.6578 3.2745 3.2760 3.8698 3.8735 k = 0.0000 0.1663 0.1190 ( 15044 PWs) bands (ev): -26.5529 -26.5529 -24.9262 -24.9262 -24.5229 -24.5229 -24.1384 -24.1384 -23.5862 -23.5862 -22.4335 -22.4335 -19.9513 -19.9513 -17.6506 -17.6506 -14.5594 -14.5594 -13.2558 -13.2557 -12.6591 -12.6589 -11.0113 -11.0113 -9.4006 -9.3999 -8.8088 -8.8082 -8.4085 -8.4046 -8.2394 -8.2353 -8.0872 -8.0845 -7.9099 -7.9082 -7.3865 -7.3857 -6.7736 -6.7726 -5.7857 -5.7842 -5.7488 -5.7480 -5.5695 -5.5687 -5.4167 -5.4158 -5.1046 -5.1006 -4.9555 -4.9353 -4.8480 -4.8259 -4.6553 -4.6502 -4.5495 -4.5471 -3.9134 -3.9123 -3.6783 -3.6767 -3.4518 -3.4513 -3.0897 -3.0891 -0.4407 -0.4405 0.5585 0.5587 1.9861 1.9868 2.1028 2.1042 2.6695 2.6719 3.2837 3.2854 3.8643 3.8682 k = 0.0000 0.1801 0.1289 ( 15044 PWs) bands (ev): -26.5528 -26.5528 -24.9265 -24.9265 -24.5228 -24.5228 -24.1385 -24.1385 -23.5860 -23.5860 -22.4335 -22.4335 -19.9513 -19.9513 -17.6506 -17.6506 -14.5594 -14.5594 -13.2559 -13.2558 -12.6591 -12.6590 -11.0109 -11.0109 -9.3980 -9.3974 -8.8107 -8.8101 -8.4073 -8.4032 -8.2436 -8.2393 -8.0863 -8.0836 -7.9085 -7.9068 -7.3911 -7.3903 -6.7707 -6.7697 -5.7786 -5.7769 -5.7459 -5.7448 -5.5703 -5.5694 -5.4236 -5.4226 -5.1025 -5.0985 -4.9593 -4.9396 -4.8462 -4.8246 -4.6566 -4.6515 -4.5504 -4.5480 -3.9119 -3.9107 -3.6784 -3.6768 -3.4522 -3.4517 -3.0890 -3.0884 -0.4424 -0.4422 0.5579 0.5581 1.9836 1.9844 2.1070 2.1084 2.6845 2.6869 3.2938 3.2957 3.8582 3.8623 k = 0.0000 0.1940 0.1388 ( 15031 PWs) bands (ev): -26.5528 -26.5528 -24.9268 -24.9268 -24.5227 -24.5227 -24.1385 -24.1385 -23.5858 -23.5858 -22.4335 -22.4335 -19.9513 -19.9513 -17.6507 -17.6507 -14.5594 -14.5594 -13.2561 -13.2560 -12.6592 -12.6590 -11.0105 -11.0104 -9.3954 -9.3948 -8.8126 -8.8120 -8.4060 -8.4017 -8.2478 -8.2435 -8.0854 -8.0828 -7.9072 -7.9055 -7.3956 -7.3949 -6.7679 -6.7669 -5.7720 -5.7701 -5.7422 -5.7407 -5.5710 -5.5700 -5.4308 -5.4298 -5.1005 -5.0964 -4.9628 -4.9436 -4.8448 -4.8237 -4.6579 -4.6528 -4.5512 -4.5488 -3.9103 -3.9091 -3.6786 -3.6769 -3.4526 -3.4521 -3.0882 -3.0876 -0.4441 -0.4439 0.5572 0.5574 1.9809 1.9818 2.1111 2.1124 2.7002 2.7025 3.3048 3.3070 3.8516 3.8557 k = 0.0000 0.2079 0.1488 ( 15026 PWs) bands (ev): -26.5527 -26.5527 -24.9270 -24.9270 -24.5226 -24.5226 -24.1385 -24.1385 -23.5856 -23.5856 -22.4335 -22.4335 -19.9514 -19.9514 -17.6508 -17.6508 -14.5594 -14.5594 -13.2563 -13.2561 -12.6592 -12.6590 -11.0101 -11.0100 -9.3928 -9.3922 -8.8146 -8.8139 -8.4046 -8.4003 -8.2520 -8.2476 -8.0846 -8.0820 -7.9059 -7.9042 -7.4001 -7.3993 -6.7651 -6.7642 -5.7663 -5.7642 -5.7373 -5.7354 -5.5717 -5.5705 -5.4386 -5.4374 -5.0984 -5.0944 -4.9658 -4.9472 -4.8437 -4.8232 -4.6592 -4.6542 -4.5519 -4.5496 -3.9088 -3.9076 -3.6787 -3.6770 -3.4530 -3.4525 -3.0874 -3.0868 -0.4458 -0.4456 0.5566 0.5568 1.9781 1.9790 2.1150 2.1162 2.7164 2.7185 3.3168 3.3192 3.8443 3.8485 k = 0.0000 0.2217 0.1587 ( 15029 PWs) bands (ev): -26.5527 -26.5527 -24.9273 -24.9273 -24.5225 -24.5225 -24.1386 -24.1386 -23.5854 -23.5854 -22.4335 -22.4335 -19.9514 -19.9514 -17.6509 -17.6509 -14.5594 -14.5594 -13.2564 -13.2563 -12.6593 -12.6591 -11.0096 -11.0096 -9.3903 -9.3897 -8.8164 -8.8158 -8.4032 -8.3988 -8.2561 -8.2517 -8.0837 -8.0813 -7.9047 -7.9030 -7.4043 -7.4035 -6.7625 -6.7616 -5.7617 -5.7596 -5.7309 -5.7288 -5.5723 -5.5709 -5.4466 -5.4454 -5.0964 -5.0925 -4.9684 -4.9506 -4.8429 -4.8231 -4.6604 -4.6556 -4.5525 -4.5502 -3.9072 -3.9061 -3.6788 -3.6772 -3.4534 -3.4529 -3.0867 -3.0861 -0.4475 -0.4473 0.5560 0.5562 1.9752 1.9761 2.1186 2.1198 2.7327 2.7347 3.3297 3.3323 3.8365 3.8408 k = 0.0000 0.2356 0.1686 ( 15033 PWs) bands (ev): -26.5526 -26.5526 -24.9276 -24.9276 -24.5224 -24.5224 -24.1386 -24.1386 -23.5852 -23.5852 -22.4335 -22.4335 -19.9514 -19.9514 -17.6509 -17.6509 -14.5594 -14.5594 -13.2566 -13.2565 -12.6593 -12.6591 -11.0093 -11.0092 -9.3878 -9.3872 -8.8182 -8.8176 -8.4017 -8.3974 -8.2601 -8.2558 -8.0830 -8.0807 -7.9035 -7.9019 -7.4083 -7.4076 -6.7600 -6.7592 -5.7582 -5.7562 -5.7232 -5.7210 -5.5727 -5.5711 -5.4551 -5.4537 -5.0945 -5.0908 -4.9705 -4.9535 -4.8423 -4.8235 -4.6616 -4.6570 -4.5530 -4.5509 -3.9058 -3.9046 -3.6790 -3.6774 -3.4537 -3.4533 -3.0859 -3.0853 -0.4491 -0.4489 0.5554 0.5556 1.9723 1.9732 2.1220 2.1231 2.7490 2.7508 3.3434 3.3463 3.8282 3.8325 k = 0.0000 0.2494 0.1785 ( 15027 PWs) bands (ev): -26.5526 -26.5526 -24.9278 -24.9278 -24.5223 -24.5223 -24.1387 -24.1387 -23.5851 -23.5850 -22.4335 -22.4335 -19.9514 -19.9514 -17.6510 -17.6510 -14.5594 -14.5594 -13.2567 -13.2566 -12.6593 -12.6592 -11.0089 -11.0088 -9.3854 -9.3848 -8.8199 -8.8194 -8.4002 -8.3959 -8.2639 -8.2598 -8.0822 -8.0801 -7.9024 -7.9009 -7.4120 -7.4113 -6.7577 -6.7569 -5.7554 -5.7537 -5.7147 -5.7124 -5.5731 -5.5712 -5.4638 -5.4623 -5.0927 -5.0892 -4.9721 -4.9561 -4.8420 -4.8242 -4.6626 -4.6583 -4.5534 -4.5514 -3.9044 -3.9033 -3.6791 -3.6776 -3.4541 -3.4536 -3.0852 -3.0847 -0.4506 -0.4505 0.5548 0.5550 1.9694 1.9703 2.1251 2.1261 2.7650 2.7665 3.3579 3.3610 3.8194 3.8237 k = 0.0000 0.2633 0.1884 ( 15030 PWs) bands (ev): -26.5525 -26.5525 -24.9280 -24.9280 -24.5222 -24.5222 -24.1387 -24.1387 -23.5849 -23.5849 -22.4335 -22.4335 -19.9514 -19.9514 -17.6511 -17.6511 -14.5594 -14.5594 -13.2568 -13.2567 -12.6594 -12.6592 -11.0085 -11.0085 -9.3832 -9.3826 -8.8216 -8.8210 -8.3987 -8.3946 -8.2675 -8.2636 -8.0815 -8.0796 -7.9013 -7.9000 -7.4154 -7.4147 -6.7555 -6.7548 -5.7533 -5.7518 -5.7057 -5.7034 -5.5732 -5.5710 -5.4728 -5.4711 -5.0911 -5.0878 -4.9732 -4.9583 -4.8418 -4.8252 -4.6635 -4.6596 -4.5537 -4.5518 -3.9031 -3.9021 -3.6792 -3.6778 -3.4544 -3.4540 -3.0845 -3.0840 -0.4521 -0.4519 0.5542 0.5544 1.9666 1.9675 2.1278 2.1288 2.7802 2.7816 3.3730 3.3762 3.8102 3.8144 k = 0.0000 0.2771 0.1983 ( 15032 PWs) bands (ev): -26.5525 -26.5525 -24.9282 -24.9282 -24.5221 -24.5221 -24.1387 -24.1387 -23.5847 -23.5847 -22.4335 -22.4335 -19.9514 -19.9514 -17.6511 -17.6511 -14.5594 -14.5594 -13.2569 -13.2569 -12.6594 -12.6593 -11.0082 -11.0082 -9.3811 -9.3806 -8.8230 -8.8225 -8.3972 -8.3934 -8.2708 -8.2671 -8.0809 -8.0792 -7.9004 -7.8991 -7.4184 -7.4178 -6.7536 -6.7529 -5.7517 -5.7503 -5.6966 -5.6944 -5.5730 -5.5706 -5.4818 -5.4800 -5.0896 -5.0867 -4.9738 -4.9602 -4.8416 -4.8266 -4.6643 -4.6608 -4.5539 -4.5522 -3.9019 -3.9010 -3.6793 -3.6780 -3.4546 -3.4543 -3.0839 -3.0835 -0.4534 -0.4532 0.5538 0.5539 1.9640 1.9649 2.1303 2.1312 2.7945 2.7957 3.3884 3.3918 3.8006 3.8048 k = 0.0000 0.2910 0.2083 ( 15037 PWs) bands (ev): -26.5525 -26.5525 -24.9284 -24.9284 -24.5220 -24.5220 -24.1387 -24.1387 -23.5846 -23.5846 -22.4335 -22.4335 -19.9514 -19.9514 -17.6512 -17.6512 -14.5594 -14.5594 -13.2571 -13.2570 -12.6594 -12.6593 -11.0079 -11.0079 -9.3792 -9.3788 -8.8243 -8.8239 -8.3957 -8.3922 -8.2738 -8.2704 -8.0803 -8.0788 -7.8995 -7.8984 -7.4211 -7.4206 -6.7519 -6.7513 -5.7503 -5.7492 -5.6877 -5.6855 -5.5725 -5.5698 -5.4909 -5.4889 -5.0884 -5.0858 -4.9740 -4.9619 -4.8416 -4.8281 -4.6649 -4.6619 -4.5540 -4.5526 -3.9008 -3.9000 -3.6794 -3.6783 -3.4549 -3.4546 -3.0833 -3.0829 -0.4545 -0.4544 0.5533 0.5535 1.9617 1.9624 2.1324 2.1332 2.8076 2.8085 3.4039 3.4073 3.7908 3.7948 k = 0.0000 0.3048 0.2182 ( 15036 PWs) bands (ev): -26.5524 -26.5524 -24.9286 -24.9286 -24.5220 -24.5220 -24.1388 -24.1388 -23.5845 -23.5845 -22.4335 -22.4335 -19.9514 -19.9514 -17.6512 -17.6512 -14.5594 -14.5594 -13.2571 -13.2571 -12.6594 -12.6593 -11.0077 -11.0076 -9.3776 -9.3772 -8.8255 -8.8251 -8.3944 -8.3913 -8.2764 -8.2734 -8.0798 -8.0785 -7.8988 -7.8979 -7.4233 -7.4229 -6.7504 -6.7499 -5.7493 -5.7483 -5.6793 -5.6772 -5.5716 -5.5686 -5.4999 -5.4977 -5.0873 -5.0851 -4.9737 -4.9633 -4.8414 -4.8298 -4.6654 -4.6629 -4.5541 -4.5529 -3.8999 -3.8992 -3.6794 -3.6785 -3.4551 -3.4548 -3.0828 -3.0825 -0.4556 -0.4555 0.5529 0.5530 1.9596 1.9602 2.1342 2.1348 2.8191 2.8198 3.4191 3.4223 3.7811 3.7848 k = 0.0000 0.3187 0.2281 ( 15044 PWs) bands (ev): -26.5524 -26.5524 -24.9287 -24.9287 -24.5219 -24.5219 -24.1388 -24.1388 -23.5844 -23.5844 -22.4335 -22.4335 -19.9514 -19.9514 -17.6513 -17.6513 -14.5594 -14.5594 -13.2572 -13.2572 -12.6594 -12.6594 -11.0075 -11.0074 -9.3762 -9.3759 -8.8264 -8.8261 -8.3931 -8.3905 -8.2785 -8.2760 -8.0794 -8.0783 -7.8982 -7.8974 -7.4252 -7.4249 -6.7491 -6.7488 -5.7484 -5.7477 -5.6717 -5.6698 -5.5701 -5.5670 -5.5085 -5.5062 -5.0865 -5.0847 -4.9732 -4.9645 -4.8412 -4.8316 -4.6658 -4.6638 -4.5541 -4.5531 -3.8991 -3.8985 -3.6795 -3.6787 -3.4552 -3.4550 -3.0824 -3.0821 -0.4564 -0.4563 0.5526 0.5527 1.9578 1.9583 2.1357 2.1362 2.8288 2.8294 3.4333 3.4363 3.7718 3.7752 k = 0.0000 0.3326 0.2380 ( 15036 PWs) bands (ev): -26.5524 -26.5524 -24.9288 -24.9288 -24.5219 -24.5219 -24.1388 -24.1388 -23.5843 -23.5843 -22.4335 -22.4335 -19.9514 -19.9514 -17.6513 -17.6513 -14.5594 -14.5594 -13.2573 -13.2572 -12.6594 -12.6594 -11.0073 -11.0073 -9.3750 -9.3748 -8.8271 -8.8269 -8.3920 -8.3900 -8.2801 -8.2782 -8.0790 -8.0782 -7.8976 -7.8971 -7.4267 -7.4264 -6.7482 -6.7479 -5.7477 -5.7472 -5.6652 -5.6636 -5.5681 -5.5650 -5.5164 -5.5141 -5.0858 -5.0844 -4.9724 -4.9657 -4.8407 -4.8334 -4.6660 -4.6645 -4.5541 -4.5533 -3.8984 -3.8980 -3.6795 -3.6789 -3.4554 -3.4552 -3.0821 -3.0818 -0.4571 -0.4570 0.5524 0.5524 1.9564 1.9568 2.1368 2.1372 2.8366 2.8371 3.4458 3.4483 3.7636 3.7663 k = 0.0000 0.3464 0.2479 ( 15044 PWs) bands (ev): -26.5524 -26.5524 -24.9289 -24.9289 -24.5219 -24.5219 -24.1388 -24.1388 -23.5842 -23.5842 -22.4335 -22.4335 -19.9514 -19.9514 -17.6513 -17.6513 -14.5594 -14.5594 -13.2573 -13.2573 -12.6595 -12.6594 -11.0072 -11.0072 -9.3742 -9.3741 -8.8277 -8.8275 -8.3911 -8.3897 -8.2812 -8.2799 -8.0787 -8.0782 -7.8972 -7.8969 -7.4277 -7.4275 -6.7474 -6.7472 -5.7473 -5.7469 -5.6602 -5.6590 -5.5657 -5.5630 -5.5230 -5.5210 -5.0852 -5.0843 -4.9714 -4.9669 -4.8401 -4.8351 -4.6661 -4.6651 -4.5540 -4.5535 -3.8979 -3.8976 -3.6794 -3.6790 -3.4554 -3.4553 -3.0818 -3.0817 -0.4576 -0.4575 0.5522 0.5522 1.9554 1.9557 2.1377 2.1379 2.8423 2.8426 3.4558 3.4577 3.7570 3.7590 k = 0.0000 0.3603 0.2578 ( 15045 PWs) bands (ev): -26.5524 -26.5524 -24.9290 -24.9290 -24.5218 -24.5218 -24.1388 -24.1388 -23.5842 -23.5842 -22.4335 -22.4335 -19.9514 -19.9514 -17.6513 -17.6513 -14.5594 -14.5594 -13.2573 -13.2573 -12.6595 -12.6594 -11.0071 -11.0071 -9.3737 -9.3736 -8.8280 -8.8279 -8.3903 -8.3896 -8.2817 -8.2811 -8.0784 -8.0782 -7.8970 -7.8968 -7.4283 -7.4282 -6.7470 -6.7469 -5.7469 -5.7468 -5.6569 -5.6563 -5.5632 -5.5615 -5.5274 -5.5262 -5.0848 -5.0843 -4.9703 -4.9680 -4.8392 -4.8367 -4.6661 -4.6655 -4.5539 -4.5537 -3.8976 -3.8974 -3.6794 -3.6792 -3.4555 -3.4554 -3.0816 -3.0816 -0.4579 -0.4578 0.5521 0.5521 1.9548 1.9550 2.1382 2.1383 2.8458 2.8460 3.4625 3.4635 3.7529 3.7540 k = 0.0000 0.3741 0.2678 ( 15044 PWs) bands (ev): -26.5524 -26.5524 -24.9290 -24.9290 -24.5218 -24.5218 -24.1388 -24.1388 -23.5842 -23.5842 -22.4335 -22.4335 -19.9514 -19.9514 -17.6513 -17.6513 -14.5594 -14.5594 -13.2573 -13.2573 -12.6594 -12.6594 -11.0071 -11.0071 -9.3735 -9.3735 -8.8280 -8.8280 -8.3899 -8.3899 -8.2817 -8.2817 -8.0783 -8.0783 -7.8968 -7.8968 -7.4285 -7.4285 -6.7468 -6.7468 -5.7468 -5.7468 -5.6556 -5.6556 -5.5615 -5.5615 -5.5286 -5.5286 -5.0845 -5.0845 -4.9691 -4.9691 -4.8381 -4.8381 -4.6659 -4.6659 -4.5538 -4.5538 -3.8974 -3.8974 -3.6793 -3.6793 -3.4555 -3.4555 -3.0815 -3.0815 -0.4579 -0.4579 0.5521 0.5521 1.9547 1.9547 2.1384 2.1384 2.8471 2.8471 3.4652 3.4652 3.7519 3.7519 k = 0.5000 0.3050 0.2184 ( 15000 PWs) bands (ev): -26.5485 -26.5485 -24.9272 -24.9272 -24.5278 -24.5278 -24.1391 -24.1391 -23.5696 -23.5696 -22.4410 -22.4410 -19.9783 -19.9783 -17.6697 -17.6697 -14.5242 -14.5242 -13.2492 -13.2492 -12.6452 -12.6452 -11.0518 -11.0518 -9.3394 -9.3394 -8.7522 -8.7522 -8.4693 -8.4693 -8.3981 -8.3981 -8.0452 -8.0452 -7.8767 -7.8767 -7.2352 -7.2352 -6.7673 -6.7673 -5.8337 -5.8337 -5.6796 -5.6796 -5.4990 -5.4990 -5.3139 -5.3139 -5.1487 -5.1487 -4.8902 -4.8902 -4.8611 -4.8611 -4.6993 -4.6993 -4.6152 -4.6152 -3.9191 -3.9191 -3.6689 -3.6689 -3.4661 -3.4661 -3.0855 -3.0855 -0.6838 -0.6838 0.4576 0.4576 1.9551 1.9551 2.0274 2.0274 3.1400 3.1400 3.3967 3.3967 4.3784 4.3784 k = 0.4865 0.2968 0.2125 ( 15009 PWs) bands (ev): -26.5485 -26.5485 -24.9272 -24.9272 -24.5278 -24.5278 -24.1391 -24.1391 -23.5697 -23.5697 -22.4410 -22.4410 -19.9782 -19.9782 -17.6697 -17.6697 -14.5243 -14.5243 -13.2492 -13.2492 -12.6452 -12.6451 -11.0518 -11.0518 -9.3395 -9.3395 -8.7529 -8.7523 -8.4698 -8.4688 -8.3977 -8.3972 -8.0455 -8.0453 -7.8770 -7.8767 -7.2360 -7.2358 -6.7668 -6.7665 -5.8337 -5.8334 -5.6792 -5.6791 -5.4993 -5.4992 -5.3144 -5.3138 -5.1492 -5.1485 -4.8940 -4.8868 -4.8650 -4.8572 -4.6997 -4.6991 -4.6153 -4.6149 -3.9191 -3.9190 -3.6690 -3.6688 -3.4661 -3.4661 -3.0857 -3.0855 -0.6834 -0.6833 0.4577 0.4579 1.9547 1.9554 2.0273 2.0281 3.1388 3.1391 3.3963 3.3967 4.3687 4.3692 k = 0.4730 0.2885 0.2066 ( 15014 PWs) bands (ev): -26.5485 -26.5485 -24.9272 -24.9272 -24.5278 -24.5278 -24.1391 -24.1391 -23.5698 -23.5698 -22.4409 -22.4409 -19.9781 -19.9781 -17.6696 -17.6696 -14.5245 -14.5244 -13.2493 -13.2492 -12.6451 -12.6451 -11.0517 -11.0516 -9.3398 -9.3398 -8.7541 -8.7529 -8.4704 -8.4685 -8.3960 -8.3951 -8.0461 -8.0456 -7.8775 -7.8770 -7.2382 -7.2377 -6.7652 -6.7645 -5.8335 -5.8330 -5.6780 -5.6778 -5.4999 -5.4996 -5.3153 -5.3143 -5.1500 -5.1488 -4.8980 -4.8842 -4.8687 -4.8534 -4.7002 -4.6990 -4.6150 -4.6144 -3.9192 -3.9189 -3.6691 -3.6688 -3.4660 -3.4659 -3.0859 -3.0856 -0.6822 -0.6819 0.4580 0.4586 1.9543 1.9557 2.0277 2.0294 3.1354 3.1361 3.3957 3.3965 4.3449 4.3456 k = 0.4595 0.2803 0.2007 ( 15010 PWs) bands (ev): -26.5486 -26.5486 -24.9271 -24.9271 -24.5278 -24.5278 -24.1391 -24.1391 -23.5699 -23.5699 -22.4409 -22.4408 -19.9779 -19.9779 -17.6694 -17.6694 -14.5248 -14.5247 -13.2493 -13.2493 -12.6451 -12.6450 -11.0515 -11.0514 -9.3403 -9.3402 -8.7560 -8.7541 -8.4710 -8.4683 -8.3931 -8.3917 -8.0469 -8.0462 -7.8783 -7.8775 -7.2416 -7.2408 -6.7624 -6.7615 -5.8331 -5.8323 -5.6760 -5.6757 -5.5008 -5.5004 -5.3168 -5.3152 -5.1512 -5.1494 -4.9023 -4.8832 -4.8711 -4.8500 -4.7008 -4.6990 -4.6144 -4.6136 -3.9192 -3.9188 -3.6693 -3.6688 -3.4658 -3.4656 -3.0863 -3.0858 -0.6801 -0.6797 0.4588 0.4596 1.9539 1.9559 2.0289 2.0313 3.1300 3.1310 3.3948 3.3961 4.3143 4.3151 k = 0.4459 0.2720 0.1948 ( 15003 PWs) bands (ev): -26.5486 -26.5486 -24.9271 -24.9271 -24.5277 -24.5277 -24.1391 -24.1391 -23.5701 -23.5701 -22.4408 -22.4408 -19.9775 -19.9775 -17.6692 -17.6692 -14.5252 -14.5252 -13.2494 -13.2493 -12.6450 -12.6449 -11.0512 -11.0510 -9.3410 -9.3409 -8.7583 -8.7559 -8.4716 -8.4683 -8.3889 -8.3872 -8.0480 -8.0471 -7.8793 -7.8782 -7.2462 -7.2452 -6.7587 -6.7575 -5.8325 -5.8315 -5.6732 -5.6728 -5.5021 -5.5016 -5.3186 -5.3166 -5.1526 -5.1504 -4.9066 -4.8848 -4.8713 -4.8469 -4.7015 -4.6990 -4.6136 -4.6126 -3.9191 -3.9186 -3.6695 -3.6689 -3.4656 -3.4652 -3.0868 -3.0861 -0.6772 -0.6766 0.4599 0.4610 1.9535 1.9560 2.0306 2.0336 3.1224 3.1237 3.3936 3.3953 4.2813 4.2821 k = 0.4324 0.2638 0.1889 ( 14995 PWs) bands (ev): -26.5487 -26.5487 -24.9271 -24.9271 -24.5277 -24.5277 -24.1391 -24.1391 -23.5704 -23.5704 -22.4406 -22.4406 -19.9771 -19.9771 -17.6689 -17.6689 -14.5258 -14.5257 -13.2495 -13.2494 -12.6449 -12.6448 -11.0508 -11.0506 -9.3419 -9.3417 -8.7611 -8.7583 -8.4723 -8.4685 -8.3835 -8.3815 -8.0494 -8.0482 -7.8805 -7.8792 -7.2519 -7.2506 -6.7543 -6.7527 -5.8317 -5.8305 -5.6696 -5.6691 -5.5038 -5.5032 -5.3208 -5.3184 -5.1541 -5.1517 -4.9109 -4.8883 -4.8698 -4.8441 -4.7022 -4.6992 -4.6126 -4.6116 -3.9191 -3.9184 -3.6697 -3.6690 -3.4652 -3.4648 -3.0873 -3.0865 -0.6734 -0.6727 0.4613 0.4627 1.9531 1.9560 2.0329 2.0365 3.1128 3.1144 3.3922 3.3942 4.2482 4.2489 k = 0.4189 0.2556 0.1830 ( 14992 PWs) bands (ev): -26.5488 -26.5488 -24.9270 -24.9270 -24.5276 -24.5276 -24.1391 -24.1391 -23.5707 -23.5707 -22.4405 -22.4405 -19.9766 -19.9766 -17.6686 -17.6686 -14.5265 -14.5264 -13.2495 -13.2495 -12.6449 -12.6447 -11.0503 -11.0501 -9.3429 -9.3427 -8.7642 -8.7610 -8.4729 -8.4689 -8.3770 -8.3748 -8.0509 -8.0496 -7.8819 -7.8804 -7.2584 -7.2569 -6.7492 -6.7474 -5.8307 -5.8292 -5.6654 -5.6648 -5.5060 -5.5052 -5.3235 -5.3207 -5.1558 -5.1531 -4.9151 -4.8925 -4.8678 -4.8418 -4.7028 -4.6993 -4.6114 -4.6105 -3.9190 -3.9182 -3.6700 -3.6691 -3.4647 -3.4643 -3.0880 -3.0869 -0.6688 -0.6680 0.4631 0.4648 1.9528 1.9560 2.0357 2.0397 3.1011 3.1029 3.3905 3.3929 4.2160 4.2167 k = 0.4054 0.2473 0.1771 ( 14990 PWs) bands (ev): -26.5489 -26.5489 -24.9270 -24.9270 -24.5275 -24.5275 -24.1390 -24.1390 -23.5711 -23.5711 -22.4403 -22.4403 -19.9760 -19.9760 -17.6682 -17.6682 -14.5272 -14.5271 -13.2496 -13.2495 -12.6448 -12.6446 -11.0497 -11.0494 -9.3442 -9.3440 -8.7676 -8.7640 -8.4736 -8.4695 -8.3696 -8.3672 -8.0527 -8.0512 -7.8835 -7.8817 -7.2657 -7.2640 -6.7439 -6.7419 -5.8295 -5.8278 -5.6605 -5.6599 -5.5086 -5.5077 -5.3265 -5.3236 -5.1574 -5.1547 -4.9192 -4.8969 -4.8659 -4.8399 -4.7034 -4.6993 -4.6101 -4.6094 -3.9189 -3.9180 -3.6703 -3.6693 -3.4642 -3.4637 -3.0887 -3.0875 -0.6635 -0.6626 0.4652 0.4671 1.9525 1.9558 2.0390 2.0433 3.0875 3.0894 3.3885 3.3912 4.1855 4.1863 k = 0.3919 0.2391 0.1712 ( 14998 PWs) bands (ev): -26.5490 -26.5490 -24.9269 -24.9269 -24.5274 -24.5274 -24.1390 -24.1390 -23.5715 -23.5715 -22.4401 -22.4401 -19.9754 -19.9753 -17.6678 -17.6678 -14.5281 -14.5280 -13.2498 -13.2497 -12.6447 -12.6445 -11.0490 -11.0487 -9.3457 -9.3454 -8.7712 -8.7673 -8.4743 -8.4702 -8.3613 -8.3587 -8.0546 -8.0529 -7.8851 -7.8832 -7.2735 -7.2716 -6.7384 -6.7362 -5.8281 -5.8262 -5.6553 -5.6545 -5.5118 -5.5107 -5.3299 -5.3268 -5.1589 -5.1562 -4.9230 -4.9011 -4.8641 -4.8384 -4.7038 -4.6994 -4.6087 -4.6082 -3.9187 -3.9178 -3.6706 -3.6695 -3.4637 -3.4630 -3.0895 -3.0882 -0.6574 -0.6564 0.4676 0.4697 1.9523 1.9557 2.0427 2.0471 3.0721 3.0741 3.3862 3.3892 4.1569 4.1578 k = 0.3784 0.2308 0.1653 ( 14992 PWs) bands (ev): -26.5491 -26.5491 -24.9269 -24.9269 -24.5273 -24.5273 -24.1390 -24.1390 -23.5720 -23.5719 -22.4399 -22.4399 -19.9746 -19.9746 -17.6673 -17.6673 -14.5291 -14.5290 -13.2499 -13.2498 -12.6446 -12.6445 -11.0482 -11.0479 -9.3473 -9.3471 -8.7748 -8.7707 -8.4750 -8.4710 -8.3523 -8.3494 -8.0566 -8.0548 -7.8869 -7.8848 -7.2818 -7.2797 -6.7331 -6.7307 -5.8265 -5.8244 -5.6498 -5.6489 -5.5155 -5.5143 -5.3336 -5.3305 -5.1599 -5.1575 -4.9264 -4.9052 -4.8625 -4.8375 -4.7041 -4.6994 -4.6073 -4.6069 -3.9186 -3.9175 -3.6710 -3.6698 -3.4630 -3.4623 -3.0904 -3.0889 -0.6506 -0.6495 0.4703 0.4727 1.9522 1.9556 2.0467 2.0511 3.0549 3.0569 3.3836 3.3868 4.1305 4.1316 k = 0.3649 0.2226 0.1594 ( 14992 PWs) bands (ev): -26.5493 -26.5493 -24.9268 -24.9268 -24.5271 -24.5271 -24.1390 -24.1390 -23.5725 -23.5725 -22.4397 -22.4397 -19.9738 -19.9738 -17.6668 -17.6667 -14.5302 -14.5300 -13.2500 -13.2499 -12.6446 -12.6444 -11.0474 -11.0470 -9.3492 -9.3489 -8.7785 -8.7742 -8.4755 -8.4717 -8.3428 -8.3396 -8.0587 -8.0568 -7.8887 -7.8865 -7.2903 -7.2882 -6.7281 -6.7256 -5.8247 -5.8225 -5.6441 -5.6430 -5.5198 -5.5185 -5.3375 -5.3345 -5.1605 -5.1583 -4.9295 -4.9089 -4.8612 -4.8371 -4.7044 -4.6995 -4.6061 -4.6053 -3.9184 -3.9173 -3.6714 -3.6701 -3.4624 -3.4616 -3.0913 -3.0896 -0.6432 -0.6419 0.4733 0.4759 1.9522 1.9555 2.0508 2.0552 3.0361 3.0381 3.3807 3.3840 4.1064 4.1076 k = 0.3514 0.2143 0.1535 ( 14991 PWs) bands (ev): -26.5494 -26.5494 -24.9267 -24.9267 -24.5270 -24.5270 -24.1389 -24.1389 -23.5730 -23.5730 -22.4395 -22.4395 -19.9729 -19.9729 -17.6662 -17.6661 -14.5314 -14.5312 -13.2502 -13.2501 -12.6446 -12.6444 -11.0464 -11.0460 -9.3513 -9.3510 -8.7820 -8.7777 -8.4760 -8.4724 -8.3328 -8.3294 -8.0608 -8.0588 -7.8906 -7.8882 -7.2990 -7.2967 -6.7236 -6.7210 -5.8228 -5.8205 -5.6387 -5.6373 -5.5247 -5.5232 -5.3417 -5.3389 -5.1604 -5.1584 -4.9321 -4.9123 -4.8603 -4.8372 -4.7045 -4.6996 -4.6048 -4.6034 -3.9182 -3.9170 -3.6718 -3.6704 -3.4617 -3.4608 -3.0922 -3.0904 -0.6351 -0.6337 0.4765 0.4793 1.9524 1.9555 2.0551 2.0594 3.0160 3.0179 3.3774 3.3808 4.0843 4.0858 k = 0.3378 0.2061 0.1476 ( 14997 PWs) bands (ev): -26.5496 -26.5496 -24.9267 -24.9267 -24.5269 -24.5269 -24.1389 -24.1389 -23.5736 -23.5736 -22.4392 -22.4392 -19.9720 -19.9719 -17.6655 -17.6655 -14.5326 -14.5324 -13.2504 -13.2502 -12.6447 -12.6445 -11.0454 -11.0450 -9.3535 -9.3533 -8.7855 -8.7811 -8.4763 -8.4730 -8.3225 -8.3188 -8.0630 -8.0609 -7.8925 -7.8900 -7.3076 -7.3053 -6.7197 -6.7171 -5.8207 -5.8183 -5.6336 -5.6319 -5.5302 -5.5285 -5.3460 -5.3435 -5.1595 -5.1574 -4.9343 -4.9155 -4.8595 -4.8379 -4.7045 -4.6997 -4.6034 -4.6014 -3.9180 -3.9168 -3.6722 -3.6707 -3.4609 -3.4600 -3.0931 -3.0912 -0.6264 -0.6250 0.4800 0.4830 1.9528 1.9557 2.0593 2.0635 2.9946 2.9965 3.3736 3.3772 4.0644 4.0661 k = 0.3243 0.1979 0.1417 ( 15007 PWs) bands (ev): -26.5498 -26.5498 -24.9266 -24.9266 -24.5267 -24.5267 -24.1389 -24.1389 -23.5743 -23.5743 -22.4389 -22.4389 -19.9710 -19.9709 -17.6649 -17.6648 -14.5339 -14.5337 -13.2506 -13.2504 -12.6448 -12.6446 -11.0442 -11.0438 -9.3560 -9.3557 -8.7887 -8.7844 -8.4764 -8.4734 -8.3120 -8.3081 -8.0651 -8.0630 -7.8943 -7.8917 -7.3161 -7.3138 -6.7166 -6.7140 -5.8185 -5.8160 -5.6293 -5.6271 -5.5362 -5.5343 -5.3504 -5.3482 -5.1578 -5.1553 -4.9362 -4.9184 -4.8590 -4.8391 -4.7044 -4.6999 -4.6018 -4.5992 -3.9178 -3.9166 -3.6726 -3.6711 -3.4602 -3.4592 -3.0940 -3.0919 -0.6173 -0.6158 0.4837 0.4868 1.9533 1.9561 2.0633 2.0674 2.9724 2.9742 3.3695 3.3730 4.0463 4.0483 k = 0.3108 0.1896 0.1358 ( 15010 PWs) bands (ev): -26.5500 -26.5500 -24.9265 -24.9265 -24.5265 -24.5265 -24.1388 -24.1388 -23.5750 -23.5749 -22.4386 -22.4386 -19.9699 -19.9699 -17.6642 -17.6641 -14.5353 -14.5351 -13.2508 -13.2506 -12.6450 -12.6448 -11.0430 -11.0426 -9.3586 -9.3584 -8.7918 -8.7874 -8.4763 -8.4735 -8.3015 -8.2974 -8.0672 -8.0651 -7.8961 -7.8935 -7.3244 -7.3221 -6.7144 -6.7118 -5.8162 -5.8136 -5.6262 -5.6235 -5.5424 -5.5402 -5.3547 -5.3528 -5.1551 -5.1519 -4.9377 -4.9211 -4.8587 -4.8408 -4.7041 -4.7001 -4.6000 -4.5968 -3.9176 -3.9163 -3.6730 -3.6715 -3.4594 -3.4584 -3.0949 -3.0927 -0.6076 -0.6061 0.4876 0.4908 1.9541 1.9567 2.0672 2.0710 2.9494 2.9511 3.3648 3.3684 4.0300 4.0323 k = 0.2973 0.1814 0.1299 ( 15013 PWs) bands (ev): -26.5501 -26.5501 -24.9264 -24.9264 -24.5264 -24.5264 -24.1388 -24.1388 -23.5757 -23.5756 -22.4383 -22.4383 -19.9689 -19.9688 -17.6634 -17.6634 -14.5367 -14.5365 -13.2510 -13.2508 -12.6453 -12.6451 -11.0417 -11.0413 -9.3615 -9.3612 -8.7945 -8.7902 -8.4758 -8.4734 -8.2911 -8.2869 -8.0693 -8.0672 -7.8979 -7.8951 -7.3323 -7.3300 -6.7131 -6.7105 -5.8138 -5.8112 -5.6249 -5.6215 -5.5483 -5.5458 -5.3589 -5.3573 -5.1514 -5.1472 -4.9390 -4.9238 -4.8585 -4.8430 -4.7036 -4.7003 -4.5980 -4.5942 -3.9175 -3.9162 -3.6735 -3.6719 -3.4587 -3.4576 -3.0957 -3.0934 -0.5976 -0.5960 0.4916 0.4950 1.9551 1.9575 2.0707 2.0743 2.9259 2.9276 3.3597 3.3632 4.0152 4.0177 k = 0.2838 0.1731 0.1240 ( 15012 PWs) bands (ev): -26.5503 -26.5503 -24.9263 -24.9263 -24.5262 -24.5262 -24.1387 -24.1387 -23.5764 -23.5764 -22.4380 -22.4380 -19.9678 -19.9677 -17.6626 -17.6626 -14.5381 -14.5379 -13.2512 -13.2510 -12.6456 -12.6454 -11.0403 -11.0399 -9.3644 -9.3642 -8.7969 -8.7928 -8.4751 -8.4729 -8.2809 -8.2766 -8.0714 -8.0692 -7.8995 -7.8967 -7.3397 -7.3374 -6.7127 -6.7101 -5.8114 -5.8088 -5.6259 -5.6219 -5.5535 -5.5508 -5.3627 -5.3614 -5.1465 -5.1414 -4.9401 -4.9266 -4.8583 -4.8455 -4.7029 -4.7004 -4.5957 -4.5915 -3.9173 -3.9160 -3.6739 -3.6723 -3.4579 -3.4568 -3.0964 -3.0941 -0.5873 -0.5857 0.4958 0.4993 1.9563 1.9585 2.0738 2.0773 2.9022 2.9038 3.3540 3.3575 4.0018 4.0045 k = 0.2703 0.1649 0.1181 ( 15019 PWs) bands (ev): -26.5505 -26.5505 -24.9261 -24.9261 -24.5260 -24.5260 -24.1387 -24.1387 -23.5771 -23.5771 -22.4377 -22.4377 -19.9666 -19.9666 -17.6618 -17.6618 -14.5396 -14.5394 -13.2514 -13.2512 -12.6460 -12.6458 -11.0388 -11.0384 -9.3676 -9.3673 -8.7990 -8.7950 -8.4740 -8.4721 -8.2711 -8.2666 -8.0733 -8.0712 -7.9011 -7.8983 -7.3465 -7.3443 -6.7132 -6.7108 -5.8091 -5.8064 -5.6296 -5.6252 -5.5573 -5.5546 -5.3663 -5.3650 -5.1406 -5.1347 -4.9412 -4.9294 -4.8581 -4.8483 -4.7019 -4.7002 -4.5933 -4.5885 -3.9172 -3.9160 -3.6743 -3.6727 -3.4572 -3.4561 -3.0971 -3.0947 -0.5767 -0.5751 0.5002 0.5037 1.9578 1.9599 2.0765 2.0797 2.8783 2.8800 3.3479 3.3513 3.9896 3.9924 k = 0.2568 0.1566 0.1122 ( 15007 PWs) bands (ev): -26.5507 -26.5507 -24.9260 -24.9260 -24.5259 -24.5259 -24.1387 -24.1387 -23.5779 -23.5779 -22.4374 -22.4374 -19.9655 -19.9654 -17.6610 -17.6610 -14.5411 -14.5408 -13.2516 -13.2514 -12.6465 -12.6463 -11.0373 -11.0369 -9.3709 -9.3706 -8.8008 -8.7969 -8.4725 -8.4709 -8.2618 -8.2572 -8.0752 -8.0732 -7.9026 -7.8997 -7.3527 -7.3506 -6.7147 -6.7123 -5.8067 -5.8041 -5.6362 -5.6315 -5.5595 -5.5570 -5.3695 -5.3682 -5.1339 -5.1272 -4.9423 -4.9323 -4.8578 -4.8512 -4.7005 -4.6998 -4.5906 -4.5855 -3.9172 -3.9159 -3.6747 -3.6731 -3.4565 -3.4553 -3.0977 -3.0952 -0.5660 -0.5643 0.5046 0.5082 1.9595 1.9615 2.0787 2.0817 2.8546 2.8564 3.3412 3.3445 3.9784 3.9813 k = 0.2432 0.1484 0.1063 ( 15001 PWs) bands (ev): -26.5509 -26.5509 -24.9259 -24.9259 -24.5257 -24.5257 -24.1386 -24.1386 -23.5787 -23.5786 -22.4371 -22.4371 -19.9643 -19.9643 -17.6602 -17.6601 -14.5425 -14.5423 -13.2518 -13.2516 -12.6471 -12.6469 -11.0358 -11.0353 -9.3742 -9.3739 -8.8022 -8.7984 -8.4706 -8.4693 -8.2531 -8.2484 -8.0771 -8.0751 -7.9039 -7.9010 -7.3581 -7.3561 -6.7171 -6.7147 -5.8045 -5.8019 -5.6453 -5.6405 -5.5604 -5.5582 -5.3723 -5.3709 -5.1267 -5.1193 -4.9435 -4.9352 -4.8575 -4.8541 -4.6992 -4.6985 -4.5877 -4.5823 -3.9172 -3.9160 -3.6751 -3.6735 -3.4558 -3.4546 -3.0982 -3.0957 -0.5552 -0.5535 0.5090 0.5126 1.9614 1.9634 2.0804 2.0832 2.8312 2.8331 3.3341 3.3372 3.9681 3.9711 k = 0.2297 0.1401 0.1004 ( 14996 PWs) bands (ev): -26.5511 -26.5511 -24.9258 -24.9258 -24.5255 -24.5255 -24.1386 -24.1386 -23.5794 -23.5794 -22.4368 -22.4368 -19.9632 -19.9632 -17.6593 -17.6593 -14.5440 -14.5438 -13.2520 -13.2519 -12.6478 -12.6475 -11.0341 -11.0337 -9.3777 -9.3773 -8.8032 -8.7996 -8.4684 -8.4672 -8.2450 -8.2403 -8.0788 -8.0769 -7.9052 -7.9022 -7.3628 -7.3609 -6.7203 -6.7180 -5.8024 -5.7998 -5.6563 -5.6515 -5.5605 -5.5586 -5.3746 -5.3730 -5.1193 -5.1114 -4.9449 -4.9378 -4.8577 -4.8561 -4.6979 -4.6963 -4.5847 -4.5791 -3.9173 -3.9161 -3.6754 -3.6739 -3.4551 -3.4539 -3.0986 -3.0960 -0.5443 -0.5426 0.5135 0.5171 1.9635 1.9654 2.0815 2.0843 2.8082 2.8102 3.3265 3.3295 3.9587 3.9618 k = 0.2162 0.1319 0.0945 ( 14985 PWs) bands (ev): -26.5513 -26.5513 -24.9256 -24.9256 -24.5253 -24.5253 -24.1385 -24.1385 -23.5802 -23.5802 -22.4365 -22.4364 -19.9621 -19.9620 -17.6585 -17.6584 -14.5455 -14.5453 -13.2523 -13.2521 -12.6485 -12.6482 -11.0325 -11.0321 -9.3812 -9.3808 -8.8039 -8.8005 -8.4658 -8.4648 -8.2377 -8.2329 -8.0805 -8.0787 -7.9064 -7.9034 -7.3665 -7.3647 -6.7242 -6.7219 -5.8006 -5.7979 -5.6685 -5.6639 -5.5602 -5.5586 -5.3764 -5.3747 -5.1120 -5.1039 -4.9466 -4.9396 -4.8600 -4.8558 -4.6961 -4.6936 -4.5816 -4.5759 -3.9174 -3.9163 -3.6757 -3.6742 -3.4545 -3.4533 -3.0988 -3.0963 -0.5335 -0.5318 0.5180 0.5216 1.9658 1.9677 2.0822 2.0848 2.7858 2.7880 3.3186 3.3214 3.9501 3.9531 k = 0.2027 0.1237 0.0886 ( 14988 PWs) bands (ev): -26.5515 -26.5515 -24.9255 -24.9255 -24.5251 -24.5251 -24.1385 -24.1385 -23.5809 -23.5809 -22.4362 -22.4361 -19.9610 -19.9609 -17.6576 -17.6576 -14.5469 -14.5467 -13.2525 -13.2523 -12.6492 -12.6490 -11.0308 -11.0304 -9.3847 -9.3843 -8.8043 -8.8011 -8.4629 -8.4619 -8.2312 -8.2264 -8.0821 -8.0804 -7.9075 -7.9045 -7.3693 -7.3677 -6.7288 -6.7266 -5.7990 -5.7964 -5.6815 -5.6769 -5.5597 -5.5585 -5.3779 -5.3760 -5.1053 -5.0972 -4.9483 -4.9404 -4.8623 -4.8551 -4.6938 -4.6904 -4.5784 -4.5726 -3.9177 -3.9166 -3.6760 -3.6746 -3.4539 -3.4527 -3.0990 -3.0965 -0.5228 -0.5212 0.5224 0.5259 1.9683 1.9702 2.0824 2.0848 2.7640 2.7663 3.3105 3.3131 3.9422 3.9452 k = 0.1892 0.1154 0.0826 ( 14994 PWs) bands (ev): -26.5517 -26.5517 -24.9254 -24.9254 -24.5250 -24.5250 -24.1385 -24.1385 -23.5817 -23.5817 -22.4359 -22.4358 -19.9599 -19.9598 -17.6568 -17.6568 -14.5484 -14.5482 -13.2527 -13.2526 -12.6500 -12.6498 -11.0292 -11.0287 -9.3882 -9.3878 -8.8043 -8.8013 -8.4597 -8.4586 -8.2256 -8.2207 -8.0836 -8.0820 -7.9085 -7.9055 -7.3713 -7.3698 -6.7339 -6.7317 -5.7978 -5.7952 -5.6946 -5.6902 -5.5594 -5.5584 -5.3789 -5.3770 -5.0997 -5.0918 -4.9496 -4.9402 -4.8644 -4.8542 -4.6910 -4.6868 -4.5752 -4.5694 -3.9180 -3.9170 -3.6763 -3.6749 -3.4533 -3.4522 -3.0990 -3.0966 -0.5124 -0.5108 0.5267 0.5302 1.9709 1.9728 2.0822 2.0845 2.7430 2.7455 3.3021 3.3045 3.9350 3.9379 k = 0.1757 0.1072 0.0767 ( 15001 PWs) bands (ev): -26.5519 -26.5519 -24.9253 -24.9253 -24.5248 -24.5248 -24.1384 -24.1384 -23.5824 -23.5824 -22.4356 -22.4355 -19.9588 -19.9588 -17.6560 -17.6560 -14.5497 -14.5495 -13.2530 -13.2528 -12.6509 -12.6507 -11.0275 -11.0271 -9.3917 -9.3913 -8.8041 -8.8014 -8.4562 -8.4551 -8.2208 -8.2160 -8.0851 -8.0836 -7.9096 -7.9066 -7.3723 -7.3709 -6.7395 -6.7373 -5.7971 -5.7945 -5.7074 -5.7033 -5.5591 -5.5584 -5.3796 -5.3776 -5.0954 -5.0880 -4.9501 -4.9388 -4.8662 -4.8535 -4.6876 -4.6829 -4.5719 -4.5662 -3.9184 -3.9175 -3.6765 -3.6752 -3.4527 -3.4516 -3.0990 -3.0966 -0.5023 -0.5008 0.5310 0.5343 1.9735 1.9754 2.0816 2.0838 2.7229 2.7254 3.2938 3.2960 3.9285 3.9313 k = 0.1622 0.0989 0.0708 ( 15000 PWs) bands (ev): -26.5521 -26.5521 -24.9251 -24.9251 -24.5247 -24.5246 -24.1384 -24.1384 -23.5831 -23.5831 -22.4353 -22.4353 -19.9578 -19.9578 -17.6552 -17.6552 -14.5510 -14.5508 -13.2532 -13.2530 -12.6518 -12.6516 -11.0259 -11.0255 -9.3951 -9.3947 -8.8037 -8.8011 -8.4524 -8.4512 -8.2168 -8.2121 -8.0864 -8.0851 -7.9106 -7.9076 -7.3724 -7.3712 -6.7453 -6.7433 -5.7971 -5.7945 -5.7196 -5.7157 -5.5591 -5.5585 -5.3799 -5.3779 -5.0928 -5.0860 -4.9494 -4.9362 -4.8677 -4.8528 -4.6838 -4.6787 -4.5686 -4.5630 -3.9189 -3.9180 -3.6767 -3.6754 -3.4522 -3.4512 -3.0988 -3.0965 -0.4925 -0.4911 0.5351 0.5383 1.9762 1.9780 2.0807 2.0828 2.7037 2.7063 3.2855 3.2875 3.9227 3.9254 k = 0.1486 0.0907 0.0649 ( 15010 PWs) bands (ev): -26.5523 -26.5523 -24.9250 -24.9250 -24.5245 -24.5245 -24.1383 -24.1383 -23.5838 -23.5837 -22.4350 -22.4350 -19.9568 -19.9568 -17.6545 -17.6545 -14.5523 -14.5521 -13.2534 -13.2532 -12.6526 -12.6525 -11.0243 -11.0239 -9.3983 -9.3979 -8.8031 -8.8007 -8.4484 -8.4471 -8.2137 -8.2090 -8.0876 -8.0865 -7.9116 -7.9087 -7.3717 -7.3706 -6.7514 -6.7494 -5.7979 -5.7953 -5.7306 -5.7271 -5.5592 -5.5588 -5.3800 -5.3780 -5.0919 -5.0858 -4.9474 -4.9326 -4.8690 -4.8523 -4.6796 -4.6743 -4.5653 -4.5598 -3.9194 -3.9187 -3.6768 -3.6757 -3.4517 -3.4507 -3.0986 -3.0964 -0.4832 -0.4818 0.5390 0.5421 1.9789 1.9806 2.0797 2.0816 2.6855 2.6881 3.2774 3.2793 3.9176 3.9201 k = 0.1351 0.0824 0.0590 ( 15010 PWs) bands (ev): -26.5524 -26.5524 -24.9249 -24.9249 -24.5244 -24.5244 -24.1383 -24.1383 -23.5844 -23.5844 -22.4348 -22.4348 -19.9559 -19.9559 -17.6538 -17.6537 -14.5534 -14.5533 -13.2536 -13.2534 -12.6535 -12.6534 -11.0228 -11.0224 -9.4015 -9.4010 -8.8023 -8.8001 -8.4443 -8.4429 -8.2113 -8.2068 -8.0887 -8.0878 -7.9126 -7.9099 -7.3704 -7.3693 -6.7576 -6.7556 -5.7998 -5.7973 -5.7400 -5.7369 -5.5595 -5.5592 -5.3799 -5.3779 -5.0925 -5.0872 -4.9443 -4.9280 -4.8703 -4.8520 -4.6752 -4.6698 -4.5621 -4.5568 -3.9200 -3.9193 -3.6769 -3.6759 -3.4512 -3.4503 -3.0983 -3.0962 -0.4744 -0.4732 0.5428 0.5456 1.9815 1.9832 2.0785 2.0803 2.6684 2.6710 3.2697 3.2714 3.9131 3.9154 k = 0.1216 0.0742 0.0531 ( 15012 PWs) bands (ev): -26.5526 -26.5526 -24.9248 -24.9248 -24.5242 -24.5242 -24.1383 -24.1383 -23.5850 -23.5850 -22.4345 -22.4345 -19.9551 -19.9551 -17.6531 -17.6531 -14.5545 -14.5544 -13.2538 -13.2536 -12.6543 -12.6542 -11.0213 -11.0210 -9.4044 -9.4040 -8.8014 -8.7994 -8.4401 -8.4386 -8.2097 -8.2053 -8.0897 -8.0890 -7.9137 -7.9111 -7.3684 -7.3675 -6.7637 -6.7618 -5.8030 -5.8005 -5.7475 -5.7449 -5.5600 -5.5597 -5.3796 -5.3776 -5.0944 -5.0898 -4.9402 -4.9227 -4.8714 -4.8520 -4.6706 -4.6654 -4.5588 -4.5538 -3.9206 -3.9200 -3.6770 -3.6761 -3.4508 -3.4499 -3.0979 -3.0960 -0.4663 -0.4651 0.5462 0.5489 1.9840 1.9855 2.0772 2.0789 2.6526 2.6550 3.2624 3.2639 3.9092 3.9114 k = 0.1081 0.0660 0.0472 ( 15011 PWs) bands (ev): -26.5527 -26.5527 -24.9247 -24.9247 -24.5241 -24.5241 -24.1383 -24.1383 -23.5855 -23.5855 -22.4343 -22.4343 -19.9543 -19.9543 -17.6525 -17.6525 -14.5555 -14.5554 -13.2539 -13.2538 -12.6552 -12.6550 -11.0200 -11.0197 -9.4071 -9.4067 -8.8004 -8.7987 -8.4359 -8.4344 -8.2086 -8.2045 -8.0906 -8.0901 -7.9147 -7.9123 -7.3660 -7.3651 -6.7696 -6.7679 -5.8074 -5.8051 -5.7530 -5.7509 -5.5605 -5.5603 -5.3792 -5.3773 -5.0973 -5.0932 -4.9354 -4.9171 -4.8724 -4.8522 -4.6661 -4.6612 -4.5557 -4.5510 -3.9213 -3.9208 -3.6770 -3.6762 -3.4504 -3.4496 -3.0975 -3.0957 -0.4588 -0.4577 0.5495 0.5519 1.9863 1.9877 2.0760 2.0776 2.6380 2.6403 3.2557 3.2570 3.9059 3.9079 k = 0.0946 0.0577 0.0413 ( 15011 PWs) bands (ev): -26.5528 -26.5528 -24.9246 -24.9246 -24.5240 -24.5240 -24.1382 -24.1382 -23.5860 -23.5860 -22.4341 -22.4341 -19.9536 -19.9536 -17.6519 -17.6519 -14.5564 -14.5563 -13.2541 -13.2540 -12.6559 -12.6558 -11.0187 -11.0185 -9.4095 -9.4092 -8.7994 -8.7979 -8.4318 -8.4304 -8.2080 -8.2043 -8.0914 -8.0910 -7.9157 -7.9135 -7.3632 -7.3625 -6.7752 -6.7736 -5.8127 -5.8105 -5.7567 -5.7552 -5.5611 -5.5609 -5.3787 -5.3769 -5.1007 -5.0971 -4.9303 -4.9114 -4.8735 -4.8528 -4.6617 -4.6572 -4.5526 -4.5483 -3.9219 -3.9215 -3.6771 -3.6763 -3.4500 -3.4493 -3.0971 -3.0955 -0.4520 -0.4510 0.5524 0.5546 1.9884 1.9897 2.0749 2.0763 2.6248 2.6269 3.2496 3.2508 3.9032 3.9049 k = 0.0811 0.0495 0.0354 ( 15026 PWs) bands (ev): -26.5530 -26.5530 -24.9245 -24.9245 -24.5239 -24.5239 -24.1382 -24.1382 -23.5864 -23.5864 -22.4340 -22.4340 -19.9530 -19.9530 -17.6514 -17.6514 -14.5572 -14.5571 -13.2542 -13.2542 -12.6566 -12.6565 -11.0176 -11.0174 -9.4117 -9.4114 -8.7984 -8.7971 -8.4279 -8.4265 -8.2078 -8.2044 -8.0920 -8.0917 -7.9166 -7.9147 -7.3604 -7.3597 -6.7804 -6.7789 -5.8183 -5.8163 -5.7591 -5.7580 -5.5616 -5.5615 -5.3781 -5.3765 -5.1042 -5.1012 -4.9250 -4.9061 -4.8744 -4.8538 -4.6577 -4.6536 -4.5498 -4.5459 -3.9225 -3.9222 -3.6771 -3.6764 -3.4497 -3.4491 -3.0967 -3.0952 -0.4459 -0.4451 0.5550 0.5569 1.9903 1.9914 2.0739 2.0751 2.6130 2.6150 3.2443 3.2452 3.9010 3.9025 k = 0.0676 0.0412 0.0295 ( 15017 PWs) bands (ev): -26.5530 -26.5530 -24.9244 -24.9244 -24.5238 -24.5238 -24.1382 -24.1382 -23.5868 -23.5868 -22.4338 -22.4338 -19.9525 -19.9525 -17.6510 -17.6510 -14.5578 -14.5577 -13.2544 -13.2543 -12.6572 -12.6571 -11.0167 -11.0165 -9.4136 -9.4134 -8.7975 -8.7964 -8.4243 -8.4231 -8.2078 -8.2049 -8.0926 -8.0923 -7.9175 -7.9158 -7.3576 -7.3570 -6.7850 -6.7837 -5.8237 -5.8220 -5.7606 -5.7598 -5.5622 -5.5621 -5.3775 -5.3761 -5.1077 -5.1051 -4.9199 -4.9014 -4.8750 -4.8551 -4.6540 -4.6505 -4.5471 -4.5438 -3.9231 -3.9228 -3.6771 -3.6765 -3.4493 -3.4488 -3.0962 -3.0950 -0.4408 -0.4400 0.5573 0.5589 1.9919 1.9928 2.0731 2.0741 2.6029 2.6046 3.2397 3.2405 3.8992 3.9004 k = 0.0541 0.0330 0.0236 ( 15019 PWs) bands (ev): -26.5531 -26.5531 -24.9244 -24.9244 -24.5238 -24.5238 -24.1382 -24.1382 -23.5871 -23.5871 -22.4337 -22.4337 -19.9521 -19.9520 -17.6507 -17.6506 -14.5584 -14.5583 -13.2545 -13.2544 -12.6577 -12.6576 -11.0158 -11.0157 -9.4152 -9.4150 -8.7967 -8.7958 -8.4212 -8.4201 -8.2080 -8.2056 -8.0930 -8.0928 -7.9182 -7.9168 -7.3550 -7.3545 -6.7889 -6.7878 -5.8286 -5.8271 -5.7616 -5.7609 -5.5627 -5.5627 -5.3769 -5.3758 -5.1107 -5.1087 -4.9149 -4.8978 -4.8751 -4.8568 -4.6508 -4.6479 -4.5447 -4.5420 -3.9236 -3.9234 -3.6771 -3.6766 -3.4491 -3.4487 -3.0958 -3.0948 -0.4364 -0.4359 0.5593 0.5606 1.9933 1.9940 2.0724 2.0733 2.5945 2.5959 3.2359 3.2365 3.8978 3.8988 k = 0.0405 0.0247 0.0177 ( 15013 PWs) bands (ev): -26.5532 -26.5532 -24.9243 -24.9243 -24.5237 -24.5237 -24.1382 -24.1381 -23.5874 -23.5874 -22.4336 -22.4336 -19.9517 -19.9517 -17.6504 -17.6504 -14.5588 -14.5588 -13.2545 -13.2545 -12.6581 -12.6581 -11.0152 -11.0151 -9.4164 -9.4163 -8.7960 -8.7953 -8.4185 -8.4177 -8.2082 -8.2064 -8.0934 -8.0932 -7.9188 -7.9177 -7.3528 -7.3524 -6.7920 -6.7912 -5.8325 -5.8314 -5.7622 -5.7617 -5.5632 -5.5631 -5.3764 -5.3755 -5.1133 -5.1117 -4.9102 -4.8958 -4.8742 -4.8588 -4.6481 -4.6459 -4.5427 -4.5406 -3.9240 -3.9238 -3.6770 -3.6767 -3.4489 -3.4486 -3.0955 -3.0947 -0.4330 -0.4326 0.5608 0.5618 1.9943 1.9949 2.0720 2.0726 2.5879 2.5890 3.2330 3.2334 3.8969 3.8976 k = 0.0270 0.0165 0.0118 ( 15004 PWs) bands (ev): -26.5532 -26.5532 -24.9243 -24.9243 -24.5237 -24.5237 -24.1381 -24.1381 -23.5875 -23.5875 -22.4335 -22.4335 -19.9515 -19.9515 -17.6502 -17.6502 -14.5591 -14.5591 -13.2546 -13.2545 -12.6584 -12.6584 -11.0147 -11.0146 -9.4173 -9.4172 -8.7954 -8.7950 -8.4165 -8.4160 -8.2083 -8.2071 -8.0936 -8.0935 -7.9192 -7.9184 -7.3511 -7.3509 -6.7942 -6.7937 -5.8353 -5.8346 -5.7625 -5.7622 -5.5635 -5.5635 -5.3760 -5.3754 -5.1151 -5.1140 -4.9060 -4.8955 -4.8723 -4.8612 -4.6461 -4.6446 -4.5411 -4.5396 -3.9243 -3.9242 -3.6770 -3.6768 -3.4487 -3.4485 -3.0952 -3.0947 -0.4305 -0.4302 0.5620 0.5627 1.9951 1.9955 2.0717 2.0721 2.5832 2.5840 3.2309 3.2312 3.8962 3.8967 k = 0.0135 0.0082 0.0059 ( 15009 PWs) bands (ev): -26.5533 -26.5533 -24.9243 -24.9243 -24.5236 -24.5236 -24.1381 -24.1381 -23.5876 -23.5876 -22.4335 -22.4335 -19.9513 -19.9513 -17.6501 -17.6501 -14.5593 -14.5593 -13.2546 -13.2546 -12.6586 -12.6586 -11.0144 -11.0144 -9.4178 -9.4178 -8.7950 -8.7948 -8.4153 -8.4150 -8.2083 -8.2077 -8.0937 -8.0936 -7.9193 -7.9189 -7.3500 -7.3499 -6.7956 -6.7953 -5.8370 -5.8366 -5.7626 -5.7625 -5.5637 -5.5637 -5.3756 -5.3753 -5.1161 -5.1155 -4.9023 -4.8968 -4.8696 -4.8639 -4.6447 -4.6440 -4.5399 -4.5392 -3.9245 -3.9244 -3.6769 -3.6768 -3.4486 -3.4484 -3.0949 -3.0947 -0.4290 -0.4289 0.5628 0.5631 1.9956 1.9958 2.0716 2.0718 2.5804 2.5808 3.2296 3.2298 3.8959 3.8961 k = 0.0000 0.0000 0.0000 ( 15013 PWs) bands (ev): -26.5533 -26.5533 -24.9242 -24.9242 -24.5236 -24.5236 -24.1381 -24.1381 -23.5877 -23.5877 -22.4335 -22.4335 -19.9513 -19.9513 -17.6500 -17.6500 -14.5594 -14.5594 -13.2546 -13.2546 -12.6586 -12.6586 -11.0143 -11.0143 -9.4180 -9.4180 -8.7948 -8.7948 -8.4147 -8.4147 -8.2081 -8.2081 -8.0937 -8.0937 -7.9192 -7.9192 -7.3496 -7.3496 -6.7959 -6.7959 -5.8375 -5.8375 -5.7626 -5.7626 -5.5637 -5.5637 -5.3754 -5.3754 -5.1163 -5.1163 -4.8991 -4.8991 -4.8667 -4.8667 -4.6440 -4.6440 -4.5393 -4.5393 -3.9245 -3.9245 -3.6769 -3.6769 -3.4485 -3.4485 -3.0948 -3.0948 -0.4285 -0.4285 0.5631 0.5631 1.9958 1.9958 2.0716 2.0716 2.5796 2.5796 3.2293 3.2293 3.8959 3.8959 Writing output data file BH2S3N3F4.save init_run : 1.89s CPU 1.19s WALL ( 1 calls) electrons : 523.13s CPU 451.63s WALL ( 1 calls) Called by init_run: wfcinit : 0.02s CPU 0.01s WALL ( 1 calls) potinit : 0.20s CPU 0.13s WALL ( 1 calls) Called by electrons: c_bands : 523.12s CPU 451.62s WALL ( 1 calls) v_of_rho : 0.03s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.03s CPU 0.02s WALL ( 1 calls) newd : 0.30s CPU 0.18s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.41s CPU 0.50s WALL ( 208 calls) cegterg : 434.60s CPU 402.21s WALL ( 234 calls) Called by sum_band: Called by *egterg: h_psi : 307.69s CPU 244.70s WALL ( 4304 calls) s_psi : 10.17s CPU 8.44s WALL ( 4304 calls) g_psi : 0.42s CPU 0.37s WALL ( 3862 calls) cdiaghg : 147.36s CPU 143.99s WALL ( 4070 calls) cegterg:over : 19.28s CPU 19.16s WALL ( 3862 calls) cegterg:upda : 12.68s CPU 12.99s WALL ( 3862 calls) cegterg:last : 7.50s CPU 7.53s WALL ( 650 calls) cdiaghg:chol : 4.97s CPU 5.00s WALL ( 4070 calls) cdiaghg:inve : 3.77s CPU 3.89s WALL ( 4070 calls) cdiaghg:para : 9.34s CPU 8.98s WALL ( 8140 calls) Called by h_psi: h_psi:vloc : 282.98s CPU 223.60s WALL ( 4304 calls) h_psi:vnl : 24.21s CPU 20.70s WALL ( 4304 calls) add_vuspsi : 11.85s CPU 9.89s WALL ( 4304 calls) General routines calbec : 12.33s CPU 10.79s WALL ( 4304 calls) fft : 0.06s CPU 0.05s WALL ( 19 calls) ffts : 0.03s CPU 0.02s WALL ( 4 calls) fftw : 273.98s CPU 216.00s WALL ( 695288 calls) interpolate : 0.05s CPU 0.03s WALL ( 4 calls) davcio : 0.39s CPU 1.46s WALL ( 416 calls) Parallel routines fft_scatter : 206.89s CPU 176.88s WALL ( 695311 calls) PWSCF : 10m 0.46s CPU 9m20.12s WALL This run was terminated on: 20:57:56 20Mar2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=