Program PWSCF v.5.4.0 starts on 12Feb2017 at 4:14:45 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./NaLi3xH2Nx4.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 133 133 36 3865 3865 556 Max 134 134 37 3866 3866 559 Sum 4791 4791 1315 139173 139173 20057 bravais-lattice index = 14 lattice parameter (alat) = 12.7412 a.u. unit-cell volume = 986.4490 (a.u.)^3 number of atoms/cell = 16 number of atomic types = 4 number of electrons = 46.00 number of Kohn-Sham states= 56 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 412.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.741194 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.718724 celldm(5)= -0.718724 celldm(6)= 0.437447 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.437447 0.899244 0.000000 ) a(3) = ( -0.718724 -0.449622 0.530355 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.486461 0.942765 ) b(2) = ( 0.000000 1.112045 0.942765 ) b(3) = ( 0.000000 0.000000 1.885529 ) PseudoPot. # 1 for Na read from file: /users/gautes/Pseudo/Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 13bcaa2858b974004ed12db349b14e76 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1121 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for 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 Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 4 for 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 Na 9.00 22.98980 Na( 1.00) H 1.00 1.00790 H( 1.00) Li 3.00 6.94100 Li( 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= 295 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033898 k( 2) = ( 0.0000000 0.0000000 0.0214265), wk = 0.0033898 k( 3) = ( 0.0000000 0.0000000 0.0428529), wk = 0.0033898 k( 4) = ( 0.0000000 0.0000000 0.0642794), wk = 0.0033898 k( 5) = ( 0.0000000 0.0000000 0.0857059), wk = 0.0033898 k( 6) = ( 0.0000000 0.0000000 0.1071324), wk = 0.0033898 k( 7) = ( 0.0000000 0.0000000 0.1285588), wk = 0.0033898 k( 8) = ( 0.0000000 0.0000000 0.1499853), wk = 0.0033898 k( 9) = ( 0.0000000 0.0000000 0.1714118), wk = 0.0033898 k( 10) = ( 0.0000000 0.0000000 0.1928382), wk = 0.0033898 k( 11) = ( 0.0000000 0.0000000 0.2142647), wk = 0.0033898 k( 12) = ( 0.0000000 0.0000000 0.2356912), wk = 0.0033898 k( 13) = ( 0.0000000 0.0000000 0.2571177), wk = 0.0033898 k( 14) = ( 0.0000000 0.0000000 0.2785441), wk = 0.0033898 k( 15) = ( 0.0000000 0.0000000 0.2999706), wk = 0.0033898 k( 16) = ( 0.0000000 0.0000000 0.3213971), wk = 0.0033898 k( 17) = ( 0.0000000 0.0000000 0.3428235), wk = 0.0033898 k( 18) = ( 0.0000000 0.0000000 0.3642500), wk = 0.0033898 k( 19) = ( 0.0000000 0.0000000 0.3856765), wk = 0.0033898 k( 20) = ( 0.0000000 0.0000000 0.4071030), wk = 0.0033898 k( 21) = ( 0.0000000 0.0000000 0.4285294), wk = 0.0033898 k( 22) = ( 0.0000000 0.0000000 0.4499559), wk = 0.0033898 k( 23) = ( 0.0000000 0.0000000 0.4713824), wk = 0.0033898 k( 24) = ( 0.0000000 0.0000000 0.4928088), wk = 0.0033898 k( 25) = ( 0.0000000 0.0000000 0.5142353), wk = 0.0033898 k( 26) = ( 0.0000000 0.0000000 0.5356618), wk = 0.0033898 k( 27) = ( 0.0000000 0.0000000 0.5570883), wk = 0.0033898 k( 28) = ( 0.0000000 0.0000000 0.5785147), wk = 0.0033898 k( 29) = ( 0.0000000 0.0000000 0.5999412), wk = 0.0033898 k( 30) = ( 0.0000000 0.0000000 0.6213677), wk = 0.0033898 k( 31) = ( 0.0000000 0.0000000 0.6427941), wk = 0.0033898 k( 32) = ( 0.0000000 0.0000000 0.6642206), wk = 0.0033898 k( 33) = ( 0.0000000 0.0000000 0.6856471), wk = 0.0033898 k( 34) = ( 0.0000000 0.0000000 0.7070735), wk = 0.0033898 k( 35) = ( 0.0000000 0.0000000 0.7285000), wk = 0.0033898 k( 36) = ( 0.0000000 0.0000000 0.7499265), wk = 0.0033898 k( 37) = ( 0.0000000 0.0000000 0.7713530), wk = 0.0033898 k( 38) = ( 0.0000000 0.0000000 0.7927794), wk = 0.0033898 k( 39) = ( 0.0000000 0.0000000 0.8142059), wk = 0.0033898 k( 40) = ( 0.0000000 0.0000000 0.8356324), wk = 0.0033898 k( 41) = ( 0.0000000 0.0000000 0.8570588), wk = 0.0033898 k( 42) = ( 0.0000000 0.0000000 0.8784853), wk = 0.0033898 k( 43) = ( 0.0000000 0.0000000 0.8999118), wk = 0.0033898 k( 44) = ( 0.0000000 0.0000000 0.9213383), wk = 0.0033898 k( 45) = ( 0.0000000 0.0000000 0.9427647), wk = 0.0033898 k( 46) = ( 0.0000000 0.0000000 0.9427647), wk = 0.0033898 k( 47) = ( -0.0108710 0.0173773 0.9427647), wk = 0.0033898 k( 48) = ( -0.0217420 0.0347547 0.9427647), wk = 0.0033898 k( 49) = ( -0.0326130 0.0521320 0.9427647), wk = 0.0033898 k( 50) = ( -0.0434840 0.0695094 0.9427647), wk = 0.0033898 k( 51) = ( -0.0543549 0.0868867 0.9427647), wk = 0.0033898 k( 52) = ( -0.0652259 0.1042640 0.9427647), wk = 0.0033898 k( 53) = ( -0.0760969 0.1216414 0.9427647), wk = 0.0033898 k( 54) = ( -0.0869679 0.1390187 0.9427647), wk = 0.0033898 k( 55) = ( -0.0978389 0.1563960 0.9427647), wk = 0.0033898 k( 56) = ( -0.0978389 0.1563960 0.9427647), wk = 0.0033898 k( 57) = ( -0.1058821 0.1692532 0.9275990), wk = 0.0033898 k( 58) = ( -0.1139253 0.1821103 0.9124333), wk = 0.0033898 k( 59) = ( -0.1219685 0.1949675 0.8972675), wk = 0.0033898 k( 60) = ( -0.1300118 0.2078246 0.8821018), wk = 0.0033898 k( 61) = ( -0.1380550 0.2206817 0.8669361), wk = 0.0033898 k( 62) = ( -0.1460982 0.2335389 0.8517703), wk = 0.0033898 k( 63) = ( -0.1541414 0.2463960 0.8366046), wk = 0.0033898 k( 64) = ( -0.1621847 0.2592531 0.8214389), wk = 0.0033898 k( 65) = ( -0.1702279 0.2721103 0.8062731), wk = 0.0033898 k( 66) = ( -0.1782711 0.2849674 0.7911074), wk = 0.0033898 k( 67) = ( -0.1863143 0.2978246 0.7759417), wk = 0.0033898 k( 68) = ( -0.1943575 0.3106817 0.7607759), wk = 0.0033898 k( 69) = ( -0.2024008 0.3235388 0.7456102), wk = 0.0033898 k( 70) = ( -0.2104440 0.3363960 0.7304445), wk = 0.0033898 k( 71) = ( -0.2184872 0.3492531 0.7152787), wk = 0.0033898 k( 72) = ( -0.2265304 0.3621103 0.7001130), wk = 0.0033898 k( 73) = ( -0.2345737 0.3749674 0.6849473), wk = 0.0033898 k( 74) = ( -0.2426169 0.3878245 0.6697815), wk = 0.0033898 k( 75) = ( -0.2506601 0.4006817 0.6546158), wk = 0.0033898 k( 76) = ( -0.2587033 0.4135388 0.6394501), wk = 0.0033898 k( 77) = ( -0.2667466 0.4263960 0.6242843), wk = 0.0033898 k( 78) = ( -0.2747898 0.4392531 0.6091186), wk = 0.0033898 k( 79) = ( -0.2828330 0.4521102 0.5939529), wk = 0.0033898 k( 80) = ( -0.2908762 0.4649674 0.5787871), wk = 0.0033898 k( 81) = ( -0.2989194 0.4778245 0.5636214), wk = 0.0033898 k( 82) = ( -0.2989194 0.4778245 0.5636214), wk = 0.0033898 k( 83) = ( -0.2910531 0.4652502 0.5487893), wk = 0.0033898 k( 84) = ( -0.2831868 0.4526759 0.5339571), wk = 0.0033898 k( 85) = ( -0.2753205 0.4401015 0.5191250), wk = 0.0033898 k( 86) = ( -0.2674542 0.4275272 0.5042928), wk = 0.0033898 k( 87) = ( -0.2595879 0.4149529 0.4894607), wk = 0.0033898 k( 88) = ( -0.2517216 0.4023785 0.4746285), wk = 0.0033898 k( 89) = ( -0.2438553 0.3898042 0.4597964), wk = 0.0033898 k( 90) = ( -0.2359890 0.3772299 0.4449643), wk = 0.0033898 k( 91) = ( -0.2281227 0.3646555 0.4301321), wk = 0.0033898 k( 92) = ( -0.2202564 0.3520812 0.4153000), wk = 0.0033898 k( 93) = ( -0.2123901 0.3395069 0.4004678), wk = 0.0033898 k( 94) = ( -0.2045238 0.3269326 0.3856357), wk = 0.0033898 k( 95) = ( -0.1966575 0.3143582 0.3708036), wk = 0.0033898 k( 96) = ( -0.1887912 0.3017839 0.3559714), wk = 0.0033898 k( 97) = ( -0.1809249 0.2892096 0.3411393), wk = 0.0033898 k( 98) = ( -0.1730586 0.2766352 0.3263071), wk = 0.0033898 k( 99) = ( -0.1651923 0.2640609 0.3114750), wk = 0.0033898 k( 100) = ( -0.1573260 0.2514866 0.2966428), wk = 0.0033898 k( 101) = ( -0.1494597 0.2389123 0.2818107), wk = 0.0033898 k( 102) = ( -0.1415934 0.2263379 0.2669786), wk = 0.0033898 k( 103) = ( -0.1337271 0.2137636 0.2521464), wk = 0.0033898 k( 104) = ( -0.1258608 0.2011893 0.2373143), wk = 0.0033898 k( 105) = ( -0.1179945 0.1886149 0.2224821), wk = 0.0033898 k( 106) = ( -0.1101282 0.1760406 0.2076500), wk = 0.0033898 k( 107) = ( -0.1022619 0.1634663 0.1928178), wk = 0.0033898 k( 108) = ( -0.0943956 0.1508919 0.1779857), wk = 0.0033898 k( 109) = ( -0.0865293 0.1383176 0.1631536), wk = 0.0033898 k( 110) = ( -0.0786630 0.1257433 0.1483214), wk = 0.0033898 k( 111) = ( -0.0707967 0.1131690 0.1334893), wk = 0.0033898 k( 112) = ( -0.0629304 0.1005946 0.1186571), wk = 0.0033898 k( 113) = ( -0.0550641 0.0880203 0.1038250), wk = 0.0033898 k( 114) = ( -0.0471978 0.0754460 0.0889929), wk = 0.0033898 k( 115) = ( -0.0393315 0.0628717 0.0741607), wk = 0.0033898 k( 116) = ( -0.0314652 0.0502973 0.0593286), wk = 0.0033898 k( 117) = ( -0.0235989 0.0377230 0.0444964), wk = 0.0033898 k( 118) = ( -0.0157326 0.0251487 0.0296643), wk = 0.0033898 k( 119) = ( -0.0078663 0.0125743 0.0148321), wk = 0.0033898 k( 120) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033898 k( 121) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033898 k( 122) = ( 0.0178571 0.0111711 -0.0000000), wk = 0.0033898 k( 123) = ( 0.0357143 0.0223423 -0.0000000), wk = 0.0033898 k( 124) = ( 0.0535714 0.0335134 -0.0000000), wk = 0.0033898 k( 125) = ( 0.0714286 0.0446846 -0.0000000), wk = 0.0033898 k( 126) = ( 0.0892857 0.0558557 -0.0000000), wk = 0.0033898 k( 127) = ( 0.1071429 0.0670269 -0.0000000), wk = 0.0033898 k( 128) = ( 0.1250000 0.0781980 -0.0000000), wk = 0.0033898 k( 129) = ( 0.1428571 0.0893692 -0.0000000), wk = 0.0033898 k( 130) = ( 0.1607143 0.1005403 -0.0000000), wk = 0.0033898 k( 131) = ( 0.1785714 0.1117115 -0.0000000), wk = 0.0033898 k( 132) = ( 0.1964286 0.1228826 -0.0000000), wk = 0.0033898 k( 133) = ( 0.2142857 0.1340537 -0.0000000), wk = 0.0033898 k( 134) = ( 0.2321429 0.1452249 -0.0000000), wk = 0.0033898 k( 135) = ( 0.2500000 0.1563960 -0.0000000), wk = 0.0033898 k( 136) = ( 0.2678571 0.1675672 -0.0000000), wk = 0.0033898 k( 137) = ( 0.2857143 0.1787383 -0.0000000), wk = 0.0033898 k( 138) = ( 0.3035714 0.1899095 -0.0000000), wk = 0.0033898 k( 139) = ( 0.3214286 0.2010806 -0.0000000), wk = 0.0033898 k( 140) = ( 0.3392857 0.2122518 -0.0000000), wk = 0.0033898 k( 141) = ( 0.3571429 0.2234229 -0.0000000), wk = 0.0033898 k( 142) = ( 0.3750000 0.2345941 -0.0000000), wk = 0.0033898 k( 143) = ( 0.3928571 0.2457652 -0.0000000), wk = 0.0033898 k( 144) = ( 0.4107143 0.2569363 -0.0000000), wk = 0.0033898 k( 145) = ( 0.4285714 0.2681075 -0.0000000), wk = 0.0033898 k( 146) = ( 0.4464286 0.2792786 -0.0000000), wk = 0.0033898 k( 147) = ( 0.4642857 0.2904498 -0.0000000), wk = 0.0033898 k( 148) = ( 0.4821429 0.3016209 -0.0000000), wk = 0.0033898 k( 149) = ( 0.5000000 0.3127921 -0.0000000), wk = 0.0033898 k( 150) = ( 0.5000000 0.3127921 -0.0000000), wk = 0.0033898 k( 151) = ( 0.4919568 0.3256492 0.0151657), wk = 0.0033898 k( 152) = ( 0.4839136 0.3385063 0.0303315), wk = 0.0033898 k( 153) = ( 0.4758703 0.3513635 0.0454972), wk = 0.0033898 k( 154) = ( 0.4678271 0.3642206 0.0606629), wk = 0.0033898 k( 155) = ( 0.4597839 0.3770778 0.0758287), wk = 0.0033898 k( 156) = ( 0.4517407 0.3899349 0.0909944), wk = 0.0033898 k( 157) = ( 0.4436974 0.4027921 0.1061601), wk = 0.0033898 k( 158) = ( 0.4356542 0.4156492 0.1213259), wk = 0.0033898 k( 159) = ( 0.4276110 0.4285063 0.1364916), wk = 0.0033898 k( 160) = ( 0.4195678 0.4413635 0.1516573), wk = 0.0033898 k( 161) = ( 0.4115245 0.4542206 0.1668231), wk = 0.0033898 k( 162) = ( 0.4034813 0.4670777 0.1819888), wk = 0.0033898 k( 163) = ( 0.3954381 0.4799349 0.1971545), wk = 0.0033898 k( 164) = ( 0.3873949 0.4927920 0.2123203), wk = 0.0033898 k( 165) = ( 0.3793517 0.5056492 0.2274860), wk = 0.0033898 k( 166) = ( 0.3713084 0.5185063 0.2426517), wk = 0.0033898 k( 167) = ( 0.3632652 0.5313634 0.2578175), wk = 0.0033898 k( 168) = ( 0.3552220 0.5442206 0.2729832), wk = 0.0033898 k( 169) = ( 0.3471788 0.5570777 0.2881489), wk = 0.0033898 k( 170) = ( 0.3391356 0.5699349 0.3033147), wk = 0.0033898 k( 171) = ( 0.3310923 0.5827920 0.3184804), wk = 0.0033898 k( 172) = ( 0.3230491 0.5956491 0.3336461), wk = 0.0033898 k( 173) = ( 0.3150059 0.6085063 0.3488118), wk = 0.0033898 k( 174) = ( 0.3069627 0.6213634 0.3639776), wk = 0.0033898 k( 175) = ( 0.2989194 0.6342206 0.3791433), wk = 0.0033898 k( 176) = ( 0.2989194 0.6342206 0.3791433), wk = 0.0033898 k( 177) = ( 0.2802370 0.6293332 0.3849083), wk = 0.0033898 k( 178) = ( 0.2615545 0.6244458 0.3906732), wk = 0.0033898 k( 179) = ( 0.2428721 0.6195584 0.3964381), wk = 0.0033898 k( 180) = ( 0.2241896 0.6146710 0.4022031), wk = 0.0033898 k( 181) = ( 0.2055071 0.6097837 0.4079680), wk = 0.0033898 k( 182) = ( 0.1868247 0.6048963 0.4137330), wk = 0.0033898 k( 183) = ( 0.1681422 0.6000089 0.4194979), wk = 0.0033898 k( 184) = ( 0.1494597 0.5951215 0.4252628), wk = 0.0033898 k( 185) = ( 0.1307773 0.5902342 0.4310278), wk = 0.0033898 k( 186) = ( 0.1120948 0.5853468 0.4367927), wk = 0.0033898 k( 187) = ( 0.0934123 0.5804594 0.4425577), wk = 0.0033898 k( 188) = ( 0.0747299 0.5755720 0.4483226), wk = 0.0033898 k( 189) = ( 0.0560474 0.5706847 0.4540875), wk = 0.0033898 k( 190) = ( 0.0373649 0.5657973 0.4598525), wk = 0.0033898 k( 191) = ( 0.0186825 0.5609099 0.4656174), wk = 0.0033898 k( 192) = ( 0.0000000 0.5560225 0.4713824), wk = 0.0033898 k( 193) = ( 0.0000000 0.5560225 0.4713824), wk = 0.0033898 k( 194) = ( 0.0078125 0.5435342 0.4861131), wk = 0.0033898 k( 195) = ( 0.0156250 0.5310459 0.5008438), wk = 0.0033898 k( 196) = ( 0.0234375 0.5185575 0.5155745), wk = 0.0033898 k( 197) = ( 0.0312500 0.5060692 0.5303052), wk = 0.0033898 k( 198) = ( 0.0390625 0.4935809 0.5450359), wk = 0.0033898 k( 199) = ( 0.0468750 0.4810926 0.5597666), wk = 0.0033898 k( 200) = ( 0.0546875 0.4686042 0.5744973), wk = 0.0033898 k( 201) = ( 0.0625000 0.4561159 0.5892280), wk = 0.0033898 k( 202) = ( 0.0703125 0.4436276 0.6039587), wk = 0.0033898 k( 203) = ( 0.0781250 0.4311393 0.6186894), wk = 0.0033898 k( 204) = ( 0.0859375 0.4186509 0.6334201), wk = 0.0033898 k( 205) = ( 0.0937500 0.4061626 0.6481508), wk = 0.0033898 k( 206) = ( 0.1015625 0.3936743 0.6628815), wk = 0.0033898 k( 207) = ( 0.1093750 0.3811859 0.6776122), wk = 0.0033898 k( 208) = ( 0.1171875 0.3686976 0.6923428), wk = 0.0033898 k( 209) = ( 0.1250000 0.3562093 0.7070735), wk = 0.0033898 k( 210) = ( 0.1328125 0.3437210 0.7218042), wk = 0.0033898 k( 211) = ( 0.1406250 0.3312326 0.7365349), wk = 0.0033898 k( 212) = ( 0.1484375 0.3187443 0.7512656), wk = 0.0033898 k( 213) = ( 0.1562500 0.3062560 0.7659963), wk = 0.0033898 k( 214) = ( 0.1640625 0.2937676 0.7807270), wk = 0.0033898 k( 215) = ( 0.1718750 0.2812793 0.7954577), wk = 0.0033898 k( 216) = ( 0.1796875 0.2687910 0.8101884), wk = 0.0033898 k( 217) = ( 0.1875000 0.2563027 0.8249191), wk = 0.0033898 k( 218) = ( 0.1953125 0.2438143 0.8396498), wk = 0.0033898 k( 219) = ( 0.2031250 0.2313260 0.8543805), wk = 0.0033898 k( 220) = ( 0.2109375 0.2188377 0.8691112), wk = 0.0033898 k( 221) = ( 0.2187500 0.2063493 0.8838419), wk = 0.0033898 k( 222) = ( 0.2265625 0.1938610 0.8985726), wk = 0.0033898 k( 223) = ( 0.2343750 0.1813727 0.9133033), wk = 0.0033898 k( 224) = ( 0.2421875 0.1688844 0.9280340), wk = 0.0033898 k( 225) = ( 0.2500000 0.1563960 0.9427647), wk = 0.0033898 k( 226) = ( 0.2500000 0.1563960 0.9427647), wk = 0.0033898 k( 227) = ( 0.2647059 0.1655958 0.9319131), wk = 0.0033898 k( 228) = ( 0.2794118 0.1747956 0.9210614), wk = 0.0033898 k( 229) = ( 0.2941177 0.1839953 0.9102098), wk = 0.0033898 k( 230) = ( 0.3088235 0.1931951 0.8993581), wk = 0.0033898 k( 231) = ( 0.3235294 0.2023949 0.8885065), wk = 0.0033898 k( 232) = ( 0.3382353 0.2115946 0.8776548), wk = 0.0033898 k( 233) = ( 0.3529412 0.2207944 0.8668032), wk = 0.0033898 k( 234) = ( 0.3676471 0.2299942 0.8559515), wk = 0.0033898 k( 235) = ( 0.3823529 0.2391939 0.8450998), wk = 0.0033898 k( 236) = ( 0.3970588 0.2483937 0.8342482), wk = 0.0033898 k( 237) = ( 0.4117647 0.2575935 0.8233966), wk = 0.0033898 k( 238) = ( 0.4264706 0.2667932 0.8125449), wk = 0.0033898 k( 239) = ( 0.4411765 0.2759930 0.8016932), wk = 0.0033898 k( 240) = ( 0.4558823 0.2851928 0.7908416), wk = 0.0033898 k( 241) = ( 0.4705882 0.2943925 0.7799900), wk = 0.0033898 k( 242) = ( 0.4852941 0.3035923 0.7691383), wk = 0.0033898 k( 243) = ( 0.5000000 0.3127921 0.7582866), wk = 0.0033898 k( 244) = ( 0.5000000 0.3127921 0.7582866), wk = 0.0033898 k( 245) = ( 0.5000000 0.3127921 0.7372231), wk = 0.0033898 k( 246) = ( 0.5000000 0.3127921 0.7161596), wk = 0.0033898 k( 247) = ( 0.5000000 0.3127921 0.6950961), wk = 0.0033898 k( 248) = ( 0.5000000 0.3127921 0.6740326), wk = 0.0033898 k( 249) = ( 0.5000000 0.3127921 0.6529691), wk = 0.0033898 k( 250) = ( 0.5000000 0.3127921 0.6319055), wk = 0.0033898 k( 251) = ( 0.5000000 0.3127921 0.6108420), wk = 0.0033898 k( 252) = ( 0.5000000 0.3127921 0.5897785), wk = 0.0033898 k( 253) = ( 0.5000000 0.3127921 0.5687150), wk = 0.0033898 k( 254) = ( 0.5000000 0.3127921 0.5476515), wk = 0.0033898 k( 255) = ( 0.5000000 0.3127921 0.5265879), wk = 0.0033898 k( 256) = ( 0.5000000 0.3127921 0.5055244), wk = 0.0033898 k( 257) = ( 0.5000000 0.3127921 0.4844609), wk = 0.0033898 k( 258) = ( 0.5000000 0.3127921 0.4633974), wk = 0.0033898 k( 259) = ( 0.5000000 0.3127921 0.4423339), wk = 0.0033898 k( 260) = ( 0.5000000 0.3127921 0.4212703), wk = 0.0033898 k( 261) = ( 0.5000000 0.3127921 0.4002068), wk = 0.0033898 k( 262) = ( 0.5000000 0.3127921 0.3791433), wk = 0.0033898 k( 263) = ( 0.5000000 0.3127921 0.3580798), wk = 0.0033898 k( 264) = ( 0.5000000 0.3127921 0.3370163), wk = 0.0033898 k( 265) = ( 0.5000000 0.3127921 0.3159528), wk = 0.0033898 k( 266) = ( 0.5000000 0.3127921 0.2948892), wk = 0.0033898 k( 267) = ( 0.5000000 0.3127921 0.2738257), wk = 0.0033898 k( 268) = ( 0.5000000 0.3127921 0.2527622), wk = 0.0033898 k( 269) = ( 0.5000000 0.3127921 0.2316987), wk = 0.0033898 k( 270) = ( 0.5000000 0.3127921 0.2106352), wk = 0.0033898 k( 271) = ( 0.5000000 0.3127921 0.1895717), wk = 0.0033898 k( 272) = ( 0.5000000 0.3127921 0.1685081), wk = 0.0033898 k( 273) = ( 0.5000000 0.3127921 0.1474446), wk = 0.0033898 k( 274) = ( 0.5000000 0.3127921 0.1263811), wk = 0.0033898 k( 275) = ( 0.5000000 0.3127921 0.1053176), wk = 0.0033898 k( 276) = ( 0.5000000 0.3127921 0.0842541), wk = 0.0033898 k( 277) = ( 0.5000000 0.3127921 0.0631906), wk = 0.0033898 k( 278) = ( 0.5000000 0.3127921 0.0421270), wk = 0.0033898 k( 279) = ( 0.5000000 0.3127921 0.0210635), wk = 0.0033898 k( 280) = ( 0.5000000 0.3127921 -0.0000000), wk = 0.0033898 k( 281) = ( 0.0000000 0.0000000 0.9427647), wk = 0.0033898 k( 282) = ( 0.0178571 0.0111711 0.9427647), wk = 0.0033898 k( 283) = ( 0.0357143 0.0223423 0.9427647), wk = 0.0033898 k( 284) = ( 0.0535714 0.0335134 0.9427647), wk = 0.0033898 k( 285) = ( 0.0714286 0.0446846 0.9427647), wk = 0.0033898 k( 286) = ( 0.0892857 0.0558557 0.9427647), wk = 0.0033898 k( 287) = ( 0.1071429 0.0670269 0.9427647), wk = 0.0033898 k( 288) = ( 0.1250000 0.0781980 0.9427647), wk = 0.0033898 k( 289) = ( 0.1428571 0.0893692 0.9427647), wk = 0.0033898 k( 290) = ( 0.1607143 0.1005403 0.9427647), wk = 0.0033898 k( 291) = ( 0.1785714 0.1117115 0.9427647), wk = 0.0033898 k( 292) = ( 0.1964286 0.1228826 0.9427647), wk = 0.0033898 k( 293) = ( 0.2142857 0.1340537 0.9427647), wk = 0.0033898 k( 294) = ( 0.2321429 0.1452249 0.9427647), wk = 0.0033898 k( 295) = ( 0.2500000 0.1563960 0.9427647), wk = 0.0033898 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033898 k( 2) = ( 0.0000000 0.0000000 0.0113636), wk = 0.0033898 k( 3) = ( 0.0000000 0.0000000 0.0227273), wk = 0.0033898 k( 4) = ( 0.0000000 0.0000000 0.0340909), wk = 0.0033898 k( 5) = ( 0.0000000 0.0000000 0.0454545), wk = 0.0033898 k( 6) = ( 0.0000000 0.0000000 0.0568182), wk = 0.0033898 k( 7) = ( 0.0000000 0.0000000 0.0681818), wk = 0.0033898 k( 8) = ( 0.0000000 0.0000000 0.0795454), wk = 0.0033898 k( 9) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0033898 k( 10) = ( 0.0000000 0.0000000 0.1022727), wk = 0.0033898 k( 11) = ( 0.0000000 0.0000000 0.1136364), wk = 0.0033898 k( 12) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0033898 k( 13) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0033898 k( 14) = ( 0.0000000 0.0000000 0.1477273), wk = 0.0033898 k( 15) = ( 0.0000000 0.0000000 0.1590909), wk = 0.0033898 k( 16) = ( 0.0000000 0.0000000 0.1704545), wk = 0.0033898 k( 17) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0033898 k( 18) = ( 0.0000000 0.0000000 0.1931818), wk = 0.0033898 k( 19) = ( 0.0000000 0.0000000 0.2045454), wk = 0.0033898 k( 20) = ( 0.0000000 0.0000000 0.2159091), wk = 0.0033898 k( 21) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0033898 k( 22) = ( 0.0000000 0.0000000 0.2386364), wk = 0.0033898 k( 23) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0033898 k( 24) = ( 0.0000000 0.0000000 0.2613636), wk = 0.0033898 k( 25) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0033898 k( 26) = ( 0.0000000 0.0000000 0.2840909), wk = 0.0033898 k( 27) = ( 0.0000000 0.0000000 0.2954545), wk = 0.0033898 k( 28) = ( 0.0000000 0.0000000 0.3068182), wk = 0.0033898 k( 29) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0033898 k( 30) = ( 0.0000000 0.0000000 0.3295454), wk = 0.0033898 k( 31) = ( 0.0000000 0.0000000 0.3409091), wk = 0.0033898 k( 32) = ( 0.0000000 0.0000000 0.3522727), wk = 0.0033898 k( 33) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0033898 k( 34) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0033898 k( 35) = ( 0.0000000 0.0000000 0.3863636), wk = 0.0033898 k( 36) = ( 0.0000000 0.0000000 0.3977273), wk = 0.0033898 k( 37) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0033898 k( 38) = ( 0.0000000 0.0000000 0.4204545), wk = 0.0033898 k( 39) = ( 0.0000000 0.0000000 0.4318182), wk = 0.0033898 k( 40) = ( 0.0000000 0.0000000 0.4431818), wk = 0.0033898 k( 41) = ( 0.0000000 0.0000000 0.4545454), wk = 0.0033898 k( 42) = ( 0.0000000 0.0000000 0.4659091), wk = 0.0033898 k( 43) = ( 0.0000000 0.0000000 0.4772727), wk = 0.0033898 k( 44) = ( 0.0000000 0.0000000 0.4886364), wk = 0.0033898 k( 45) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033898 k( 46) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033898 k( 47) = ( -0.0108710 0.0108710 0.5000000), wk = 0.0033898 k( 48) = ( -0.0217420 0.0217420 0.5000000), wk = 0.0033898 k( 49) = ( -0.0326130 0.0326130 0.5000000), wk = 0.0033898 k( 50) = ( -0.0434840 0.0434840 0.5000000), wk = 0.0033898 k( 51) = ( -0.0543549 0.0543549 0.5000000), wk = 0.0033898 k( 52) = ( -0.0652259 0.0652259 0.5000000), wk = 0.0033898 k( 53) = ( -0.0760969 0.0760969 0.5000000), wk = 0.0033898 k( 54) = ( -0.0869679 0.0869679 0.5000000), wk = 0.0033898 k( 55) = ( -0.0978389 0.0978389 0.5000000), wk = 0.0033898 k( 56) = ( -0.0978389 0.0978389 0.5000000), wk = 0.0033898 k( 57) = ( -0.1058821 0.1058821 0.4919568), wk = 0.0033898 k( 58) = ( -0.1139253 0.1139253 0.4839136), wk = 0.0033898 k( 59) = ( -0.1219685 0.1219685 0.4758703), wk = 0.0033898 k( 60) = ( -0.1300118 0.1300118 0.4678271), wk = 0.0033898 k( 61) = ( -0.1380550 0.1380550 0.4597839), wk = 0.0033898 k( 62) = ( -0.1460982 0.1460982 0.4517407), wk = 0.0033898 k( 63) = ( -0.1541414 0.1541414 0.4436974), wk = 0.0033898 k( 64) = ( -0.1621847 0.1621847 0.4356542), wk = 0.0033898 k( 65) = ( -0.1702279 0.1702279 0.4276110), wk = 0.0033898 k( 66) = ( -0.1782711 0.1782711 0.4195678), wk = 0.0033898 k( 67) = ( -0.1863143 0.1863143 0.4115245), wk = 0.0033898 k( 68) = ( -0.1943575 0.1943575 0.4034813), wk = 0.0033898 k( 69) = ( -0.2024008 0.2024008 0.3954381), wk = 0.0033898 k( 70) = ( -0.2104440 0.2104440 0.3873949), wk = 0.0033898 k( 71) = ( -0.2184872 0.2184872 0.3793517), wk = 0.0033898 k( 72) = ( -0.2265304 0.2265304 0.3713084), wk = 0.0033898 k( 73) = ( -0.2345737 0.2345737 0.3632652), wk = 0.0033898 k( 74) = ( -0.2426169 0.2426169 0.3552220), wk = 0.0033898 k( 75) = ( -0.2506601 0.2506601 0.3471788), wk = 0.0033898 k( 76) = ( -0.2587033 0.2587033 0.3391355), wk = 0.0033898 k( 77) = ( -0.2667466 0.2667466 0.3310923), wk = 0.0033898 k( 78) = ( -0.2747898 0.2747898 0.3230491), wk = 0.0033898 k( 79) = ( -0.2828330 0.2828330 0.3150059), wk = 0.0033898 k( 80) = ( -0.2908762 0.2908762 0.3069627), wk = 0.0033898 k( 81) = ( -0.2989194 0.2989194 0.2989194), wk = 0.0033898 k( 82) = ( -0.2989194 0.2989194 0.2989194), wk = 0.0033898 k( 83) = ( -0.2910531 0.2910531 0.2910531), wk = 0.0033898 k( 84) = ( -0.2831868 0.2831868 0.2831868), wk = 0.0033898 k( 85) = ( -0.2753205 0.2753205 0.2753205), wk = 0.0033898 k( 86) = ( -0.2674542 0.2674542 0.2674542), wk = 0.0033898 k( 87) = ( -0.2595879 0.2595879 0.2595879), wk = 0.0033898 k( 88) = ( -0.2517216 0.2517216 0.2517216), wk = 0.0033898 k( 89) = ( -0.2438553 0.2438553 0.2438553), wk = 0.0033898 k( 90) = ( -0.2359890 0.2359890 0.2359890), wk = 0.0033898 k( 91) = ( -0.2281227 0.2281227 0.2281227), wk = 0.0033898 k( 92) = ( -0.2202564 0.2202564 0.2202564), wk = 0.0033898 k( 93) = ( -0.2123901 0.2123901 0.2123901), wk = 0.0033898 k( 94) = ( -0.2045238 0.2045238 0.2045238), wk = 0.0033898 k( 95) = ( -0.1966575 0.1966575 0.1966575), wk = 0.0033898 k( 96) = ( -0.1887912 0.1887912 0.1887912), wk = 0.0033898 k( 97) = ( -0.1809249 0.1809249 0.1809249), wk = 0.0033898 k( 98) = ( -0.1730586 0.1730586 0.1730586), wk = 0.0033898 k( 99) = ( -0.1651923 0.1651923 0.1651923), wk = 0.0033898 k( 100) = ( -0.1573260 0.1573260 0.1573260), wk = 0.0033898 k( 101) = ( -0.1494597 0.1494597 0.1494597), wk = 0.0033898 k( 102) = ( -0.1415934 0.1415934 0.1415934), wk = 0.0033898 k( 103) = ( -0.1337271 0.1337271 0.1337271), wk = 0.0033898 k( 104) = ( -0.1258608 0.1258608 0.1258608), wk = 0.0033898 k( 105) = ( -0.1179945 0.1179945 0.1179945), wk = 0.0033898 k( 106) = ( -0.1101282 0.1101282 0.1101282), wk = 0.0033898 k( 107) = ( -0.1022619 0.1022619 0.1022619), wk = 0.0033898 k( 108) = ( -0.0943956 0.0943956 0.0943956), wk = 0.0033898 k( 109) = ( -0.0865293 0.0865293 0.0865293), wk = 0.0033898 k( 110) = ( -0.0786630 0.0786630 0.0786630), wk = 0.0033898 k( 111) = ( -0.0707967 0.0707967 0.0707967), wk = 0.0033898 k( 112) = ( -0.0629304 0.0629304 0.0629304), wk = 0.0033898 k( 113) = ( -0.0550641 0.0550641 0.0550641), wk = 0.0033898 k( 114) = ( -0.0471978 0.0471978 0.0471978), wk = 0.0033898 k( 115) = ( -0.0393315 0.0393315 0.0393315), wk = 0.0033898 k( 116) = ( -0.0314652 0.0314652 0.0314652), wk = 0.0033898 k( 117) = ( -0.0235989 0.0235989 0.0235989), wk = 0.0033898 k( 118) = ( -0.0157326 0.0157326 0.0157326), wk = 0.0033898 k( 119) = ( -0.0078663 0.0078663 0.0078663), wk = 0.0033898 k( 120) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033898 k( 121) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033898 k( 122) = ( 0.0178571 0.0178571 -0.0178571), wk = 0.0033898 k( 123) = ( 0.0357143 0.0357143 -0.0357143), wk = 0.0033898 k( 124) = ( 0.0535714 0.0535714 -0.0535714), wk = 0.0033898 k( 125) = ( 0.0714286 0.0714286 -0.0714286), wk = 0.0033898 k( 126) = ( 0.0892857 0.0892857 -0.0892857), wk = 0.0033898 k( 127) = ( 0.1071429 0.1071429 -0.1071429), wk = 0.0033898 k( 128) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0033898 k( 129) = ( 0.1428571 0.1428571 -0.1428571), wk = 0.0033898 k( 130) = ( 0.1607143 0.1607143 -0.1607143), wk = 0.0033898 k( 131) = ( 0.1785714 0.1785714 -0.1785714), wk = 0.0033898 k( 132) = ( 0.1964286 0.1964286 -0.1964286), wk = 0.0033898 k( 133) = ( 0.2142857 0.2142857 -0.2142857), wk = 0.0033898 k( 134) = ( 0.2321429 0.2321429 -0.2321429), wk = 0.0033898 k( 135) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0033898 k( 136) = ( 0.2678571 0.2678571 -0.2678571), wk = 0.0033898 k( 137) = ( 0.2857143 0.2857143 -0.2857143), wk = 0.0033898 k( 138) = ( 0.3035714 0.3035714 -0.3035714), wk = 0.0033898 k( 139) = ( 0.3214286 0.3214286 -0.3214286), wk = 0.0033898 k( 140) = ( 0.3392857 0.3392857 -0.3392857), wk = 0.0033898 k( 141) = ( 0.3571429 0.3571429 -0.3571429), wk = 0.0033898 k( 142) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0033898 k( 143) = ( 0.3928571 0.3928571 -0.3928571), wk = 0.0033898 k( 144) = ( 0.4107143 0.4107143 -0.4107143), wk = 0.0033898 k( 145) = ( 0.4285714 0.4285714 -0.4285714), wk = 0.0033898 k( 146) = ( 0.4464286 0.4464286 -0.4464286), wk = 0.0033898 k( 147) = ( 0.4642857 0.4642857 -0.4642857), wk = 0.0033898 k( 148) = ( 0.4821429 0.4821429 -0.4821429), wk = 0.0033898 k( 149) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0033898 k( 150) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0033898 k( 151) = ( 0.4919568 0.5080432 -0.4919568), wk = 0.0033898 k( 152) = ( 0.4839136 0.5160864 -0.4839136), wk = 0.0033898 k( 153) = ( 0.4758703 0.5241297 -0.4758703), wk = 0.0033898 k( 154) = ( 0.4678271 0.5321729 -0.4678271), wk = 0.0033898 k( 155) = ( 0.4597839 0.5402161 -0.4597839), wk = 0.0033898 k( 156) = ( 0.4517407 0.5482593 -0.4517407), wk = 0.0033898 k( 157) = ( 0.4436974 0.5563026 -0.4436974), wk = 0.0033898 k( 158) = ( 0.4356542 0.5643458 -0.4356542), wk = 0.0033898 k( 159) = ( 0.4276110 0.5723890 -0.4276110), wk = 0.0033898 k( 160) = ( 0.4195678 0.5804322 -0.4195678), wk = 0.0033898 k( 161) = ( 0.4115245 0.5884755 -0.4115246), wk = 0.0033898 k( 162) = ( 0.4034813 0.5965187 -0.4034813), wk = 0.0033898 k( 163) = ( 0.3954381 0.6045619 -0.3954381), wk = 0.0033898 k( 164) = ( 0.3873949 0.6126051 -0.3873949), wk = 0.0033898 k( 165) = ( 0.3793517 0.6206483 -0.3793517), wk = 0.0033898 k( 166) = ( 0.3713084 0.6286916 -0.3713084), wk = 0.0033898 k( 167) = ( 0.3632652 0.6367348 -0.3632652), wk = 0.0033898 k( 168) = ( 0.3552220 0.6447780 -0.3552220), wk = 0.0033898 k( 169) = ( 0.3471788 0.6528212 -0.3471788), wk = 0.0033898 k( 170) = ( 0.3391356 0.6608645 -0.3391356), wk = 0.0033898 k( 171) = ( 0.3310923 0.6689077 -0.3310923), wk = 0.0033898 k( 172) = ( 0.3230491 0.6769509 -0.3230491), wk = 0.0033898 k( 173) = ( 0.3150059 0.6849941 -0.3150059), wk = 0.0033898 k( 174) = ( 0.3069627 0.6930373 -0.3069627), wk = 0.0033898 k( 175) = ( 0.2989194 0.7010806 -0.2989194), wk = 0.0033898 k( 176) = ( 0.2989194 0.7010806 -0.2989194), wk = 0.0033898 k( 177) = ( 0.2802370 0.6885130 -0.2802370), wk = 0.0033898 k( 178) = ( 0.2615545 0.6759455 -0.2615545), wk = 0.0033898 k( 179) = ( 0.2428721 0.6633780 -0.2428721), wk = 0.0033898 k( 180) = ( 0.2241896 0.6508104 -0.2241896), wk = 0.0033898 k( 181) = ( 0.2055071 0.6382429 -0.2055071), wk = 0.0033898 k( 182) = ( 0.1868247 0.6256753 -0.1868247), wk = 0.0033898 k( 183) = ( 0.1681422 0.6131078 -0.1681422), wk = 0.0033898 k( 184) = ( 0.1494597 0.6005403 -0.1494597), wk = 0.0033898 k( 185) = ( 0.1307773 0.5879727 -0.1307773), wk = 0.0033898 k( 186) = ( 0.1120948 0.5754052 -0.1120948), wk = 0.0033898 k( 187) = ( 0.0934123 0.5628377 -0.0934123), wk = 0.0033898 k( 188) = ( 0.0747299 0.5502701 -0.0747299), wk = 0.0033898 k( 189) = ( 0.0560474 0.5377026 -0.0560474), wk = 0.0033898 k( 190) = ( 0.0373649 0.5251351 -0.0373649), wk = 0.0033898 k( 191) = ( 0.0186825 0.5125675 -0.0186825), wk = 0.0033898 k( 192) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0033898 k( 193) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0033898 k( 194) = ( 0.0078125 0.4921875 0.0078125), wk = 0.0033898 k( 195) = ( 0.0156250 0.4843750 0.0156250), wk = 0.0033898 k( 196) = ( 0.0234375 0.4765625 0.0234375), wk = 0.0033898 k( 197) = ( 0.0312500 0.4687500 0.0312500), wk = 0.0033898 k( 198) = ( 0.0390625 0.4609375 0.0390625), wk = 0.0033898 k( 199) = ( 0.0468750 0.4531250 0.0468750), wk = 0.0033898 k( 200) = ( 0.0546875 0.4453125 0.0546875), wk = 0.0033898 k( 201) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0033898 k( 202) = ( 0.0703125 0.4296875 0.0703125), wk = 0.0033898 k( 203) = ( 0.0781250 0.4218750 0.0781250), wk = 0.0033898 k( 204) = ( 0.0859375 0.4140625 0.0859375), wk = 0.0033898 k( 205) = ( 0.0937500 0.4062500 0.0937500), wk = 0.0033898 k( 206) = ( 0.1015625 0.3984375 0.1015625), wk = 0.0033898 k( 207) = ( 0.1093750 0.3906250 0.1093750), wk = 0.0033898 k( 208) = ( 0.1171875 0.3828125 0.1171875), wk = 0.0033898 k( 209) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0033898 k( 210) = ( 0.1328125 0.3671875 0.1328125), wk = 0.0033898 k( 211) = ( 0.1406250 0.3593750 0.1406250), wk = 0.0033898 k( 212) = ( 0.1484375 0.3515625 0.1484375), wk = 0.0033898 k( 213) = ( 0.1562500 0.3437500 0.1562500), wk = 0.0033898 k( 214) = ( 0.1640625 0.3359375 0.1640625), wk = 0.0033898 k( 215) = ( 0.1718750 0.3281250 0.1718750), wk = 0.0033898 k( 216) = ( 0.1796875 0.3203125 0.1796875), wk = 0.0033898 k( 217) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0033898 k( 218) = ( 0.1953125 0.3046875 0.1953125), wk = 0.0033898 k( 219) = ( 0.2031250 0.2968750 0.2031250), wk = 0.0033898 k( 220) = ( 0.2109375 0.2890625 0.2109375), wk = 0.0033898 k( 221) = ( 0.2187500 0.2812500 0.2187500), wk = 0.0033898 k( 222) = ( 0.2265625 0.2734375 0.2265625), wk = 0.0033898 k( 223) = ( 0.2343750 0.2656250 0.2343750), wk = 0.0033898 k( 224) = ( 0.2421875 0.2578125 0.2421875), wk = 0.0033898 k( 225) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0033898 k( 226) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0033898 k( 227) = ( 0.2647059 0.2647059 0.2295389), wk = 0.0033898 k( 228) = ( 0.2794118 0.2794118 0.2090778), wk = 0.0033898 k( 229) = ( 0.2941177 0.2941177 0.1886167), wk = 0.0033898 k( 230) = ( 0.3088235 0.3088235 0.1681556), wk = 0.0033898 k( 231) = ( 0.3235294 0.3235294 0.1476944), wk = 0.0033898 k( 232) = ( 0.3382353 0.3382353 0.1272333), wk = 0.0033898 k( 233) = ( 0.3529412 0.3529412 0.1067722), wk = 0.0033898 k( 234) = ( 0.3676471 0.3676471 0.0863111), wk = 0.0033898 k( 235) = ( 0.3823529 0.3823529 0.0658500), wk = 0.0033898 k( 236) = ( 0.3970588 0.3970588 0.0453889), wk = 0.0033898 k( 237) = ( 0.4117647 0.4117647 0.0249278), wk = 0.0033898 k( 238) = ( 0.4264706 0.4264706 0.0044667), wk = 0.0033898 k( 239) = ( 0.4411765 0.4411765 -0.0159944), wk = 0.0033898 k( 240) = ( 0.4558823 0.4558824 -0.0364556), wk = 0.0033898 k( 241) = ( 0.4705882 0.4705882 -0.0569167), wk = 0.0033898 k( 242) = ( 0.4852941 0.4852941 -0.0773778), wk = 0.0033898 k( 243) = ( 0.5000000 0.5000000 -0.0978389), wk = 0.0033898 k( 244) = ( 0.5000000 0.5000000 -0.0978389), wk = 0.0033898 k( 245) = ( 0.5000000 0.5000000 -0.1090100), wk = 0.0033898 k( 246) = ( 0.5000000 0.5000000 -0.1201812), wk = 0.0033898 k( 247) = ( 0.5000000 0.5000000 -0.1313523), wk = 0.0033898 k( 248) = ( 0.5000000 0.5000000 -0.1425235), wk = 0.0033898 k( 249) = ( 0.5000000 0.5000000 -0.1536946), wk = 0.0033898 k( 250) = ( 0.5000000 0.5000000 -0.1648657), wk = 0.0033898 k( 251) = ( 0.5000000 0.5000000 -0.1760369), wk = 0.0033898 k( 252) = ( 0.5000000 0.5000000 -0.1872080), wk = 0.0033898 k( 253) = ( 0.5000000 0.5000000 -0.1983792), wk = 0.0033898 k( 254) = ( 0.5000000 0.5000000 -0.2095503), wk = 0.0033898 k( 255) = ( 0.5000000 0.5000000 -0.2207215), wk = 0.0033898 k( 256) = ( 0.5000000 0.5000000 -0.2318926), wk = 0.0033898 k( 257) = ( 0.5000000 0.5000000 -0.2430637), wk = 0.0033898 k( 258) = ( 0.5000000 0.5000000 -0.2542349), wk = 0.0033898 k( 259) = ( 0.5000000 0.5000000 -0.2654060), wk = 0.0033898 k( 260) = ( 0.5000000 0.5000000 -0.2765772), wk = 0.0033898 k( 261) = ( 0.5000000 0.5000000 -0.2877483), wk = 0.0033898 k( 262) = ( 0.5000000 0.5000000 -0.2989194), wk = 0.0033898 k( 263) = ( 0.5000000 0.5000000 -0.3100906), wk = 0.0033898 k( 264) = ( 0.5000000 0.5000000 -0.3212617), wk = 0.0033898 k( 265) = ( 0.5000000 0.5000000 -0.3324329), wk = 0.0033898 k( 266) = ( 0.5000000 0.5000000 -0.3436040), wk = 0.0033898 k( 267) = ( 0.5000000 0.5000000 -0.3547751), wk = 0.0033898 k( 268) = ( 0.5000000 0.5000000 -0.3659463), wk = 0.0033898 k( 269) = ( 0.5000000 0.5000000 -0.3771174), wk = 0.0033898 k( 270) = ( 0.5000000 0.5000000 -0.3882886), wk = 0.0033898 k( 271) = ( 0.5000000 0.5000000 -0.3994597), wk = 0.0033898 k( 272) = ( 0.5000000 0.5000000 -0.4106309), wk = 0.0033898 k( 273) = ( 0.5000000 0.5000000 -0.4218020), wk = 0.0033898 k( 274) = ( 0.5000000 0.5000000 -0.4329731), wk = 0.0033898 k( 275) = ( 0.5000000 0.5000000 -0.4441443), wk = 0.0033898 k( 276) = ( 0.5000000 0.5000000 -0.4553154), wk = 0.0033898 k( 277) = ( 0.5000000 0.5000000 -0.4664866), wk = 0.0033898 k( 278) = ( 0.5000000 0.5000000 -0.4776577), wk = 0.0033898 k( 279) = ( 0.5000000 0.5000000 -0.4888289), wk = 0.0033898 k( 280) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0033898 k( 281) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033898 k( 282) = ( 0.0178571 0.0178571 0.4821429), wk = 0.0033898 k( 283) = ( 0.0357143 0.0357143 0.4642857), wk = 0.0033898 k( 284) = ( 0.0535714 0.0535714 0.4464286), wk = 0.0033898 k( 285) = ( 0.0714286 0.0714286 0.4285714), wk = 0.0033898 k( 286) = ( 0.0892857 0.0892857 0.4107143), wk = 0.0033898 k( 287) = ( 0.1071429 0.1071429 0.3928571), wk = 0.0033898 k( 288) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0033898 k( 289) = ( 0.1428571 0.1428571 0.3571429), wk = 0.0033898 k( 290) = ( 0.1607143 0.1607143 0.3392857), wk = 0.0033898 k( 291) = ( 0.1785714 0.1785714 0.3214286), wk = 0.0033898 k( 292) = ( 0.1964286 0.1964286 0.3035714), wk = 0.0033898 k( 293) = ( 0.2142857 0.2142857 0.2857143), wk = 0.0033898 k( 294) = ( 0.2321429 0.2321429 0.2678571), wk = 0.0033898 k( 295) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0033898 Dense grid: 139173 G-vectors FFT dimensions: ( 90, 90, 90) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.84 Mb ( 978, 56) NL pseudopotentials 0.96 Mb ( 489, 128) Each V/rho on FFT grid 0.37 Mb ( 24300) Each G-vector array 0.03 Mb ( 3866) G-vector shells 0.01 Mb ( 1777) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 3.34 Mb ( 978, 224) Each subspace H/S matrix 0.05 Mb ( 56, 56) Each matrix 0.22 Mb ( 128, 2, 56) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./NaLi3xH2Nx4.save/charge-density.dat Starting wfc are 88 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.3 secs Computing kpt #: 2 total cpu time spent up to now is 6.1 secs Computing kpt #: 3 total cpu time spent up to now is 8.0 secs Computing kpt #: 4 total cpu time spent up to now is 9.9 secs Computing kpt #: 5 total cpu time spent up to now is 11.8 secs Computing kpt #: 6 total cpu time spent up to now is 13.6 secs Computing kpt #: 7 total cpu time spent up to now is 15.6 secs Computing kpt #: 8 total cpu time spent up to now is 17.4 secs Computing kpt #: 9 total cpu time spent up to now is 19.4 secs Computing kpt #: 10 total cpu time spent up to now is 21.4 secs Computing kpt #: 11 total cpu time spent up to now is 23.4 secs Computing kpt #: 12 total cpu time spent up to now is 25.2 secs Computing kpt #: 13 total cpu time spent up to now is 27.2 secs Computing kpt #: 14 total cpu time spent up to now is 29.1 secs Computing kpt #: 15 total cpu time spent up to now is 31.0 secs Computing kpt #: 16 total cpu time spent up to now is 32.9 secs Computing kpt #: 17 total cpu time spent up to now is 34.9 secs Computing kpt #: 18 total cpu time spent up to now is 36.8 secs Computing kpt #: 19 total cpu time spent up to now is 38.8 secs Computing kpt #: 20 total cpu time spent up to now is 40.7 secs Computing kpt #: 21 total cpu time spent up to now is 42.7 secs Computing kpt #: 22 total cpu time spent up to now is 44.6 secs Computing kpt #: 23 total cpu time spent up to now is 46.5 secs Computing kpt #: 24 total cpu time spent up to now is 48.4 secs Computing kpt #: 25 total cpu time spent up to now is 50.3 secs Computing kpt #: 26 total cpu time spent up to now is 52.2 secs Computing kpt #: 27 total cpu time spent up to now is 54.1 secs Computing kpt #: 28 total cpu time spent up to now is 56.0 secs Computing kpt #: 29 total cpu time spent up to now is 57.8 secs Computing kpt #: 30 total cpu time spent up to now is 59.7 secs Computing kpt #: 31 total cpu time spent up to now is 61.5 secs Computing kpt #: 32 total cpu time spent up to now is 63.4 secs Computing kpt #: 33 total cpu time spent up to now is 65.3 secs Computing kpt #: 34 total cpu time spent up to now is 67.2 secs Computing kpt #: 35 total cpu time spent up to now is 69.1 secs Computing kpt #: 36 total cpu time spent up to now is 71.0 secs Computing kpt #: 37 total cpu time spent up to now is 72.8 secs Computing kpt #: 38 total cpu time spent up to now is 74.6 secs Computing kpt #: 39 total cpu time spent up to now is 76.4 secs Computing kpt #: 40 total cpu time spent up to now is 78.3 secs Computing kpt #: 41 total cpu time spent up to now is 80.1 secs Computing kpt #: 42 total cpu time spent up to now is 82.0 secs Computing kpt #: 43 total cpu time spent up to now is 83.8 secs Computing kpt #: 44 total cpu time spent up to now is 85.6 secs Computing kpt #: 45 total cpu time spent up to now is 87.4 secs Computing kpt #: 46 total cpu time spent up to now is 89.2 secs Computing kpt #: 47 total cpu time spent up to now is 91.0 secs Computing kpt #: 48 total cpu time spent up to now is 92.8 secs Computing kpt #: 49 total cpu time spent up to now is 94.6 secs Computing kpt #: 50 total cpu time spent up to now is 96.4 secs Computing kpt #: 51 total cpu time spent up to now is 98.2 secs Computing kpt #: 52 total cpu time spent up to now is 100.0 secs Computing kpt #: 53 total cpu time spent up to now is 101.8 secs Computing kpt #: 54 total cpu time spent up to now is 103.6 secs Computing kpt #: 55 total cpu time spent up to now is 105.4 secs Computing kpt #: 56 total cpu time spent up to now is 107.2 secs Computing kpt #: 57 total cpu time spent up to now is 109.1 secs Computing kpt #: 58 total cpu time spent up to now is 110.9 secs Computing kpt #: 59 total cpu time spent up to now is 112.8 secs Computing kpt #: 60 total cpu time spent up to now is 114.6 secs Computing kpt #: 61 total cpu time spent up to now is 116.5 secs Computing kpt #: 62 total cpu time spent up to now is 118.4 secs Computing kpt #: 63 total cpu time spent up to now is 120.3 secs Computing kpt #: 64 total cpu time spent up to now is 122.1 secs Computing kpt #: 65 total cpu time spent up to now is 124.0 secs Computing kpt #: 66 total cpu time spent up to now is 125.9 secs Computing kpt #: 67 total cpu time spent up to now is 127.8 secs Computing kpt #: 68 total cpu time spent up to now is 129.7 secs Computing kpt #: 69 total cpu time spent up to now is 131.7 secs Computing kpt #: 70 total cpu time spent up to now is 133.5 secs Computing kpt #: 71 total cpu time spent up to now is 135.5 secs Computing kpt #: 72 total cpu time spent up to now is 137.4 secs Computing kpt #: 73 total cpu time spent up to now is 139.3 secs Computing kpt #: 74 total cpu time spent up to now is 141.1 secs Computing kpt #: 75 total cpu time spent up to now is 143.0 secs Computing kpt #: 76 total cpu time spent up to now is 144.8 secs Computing kpt #: 77 total cpu time spent up to now is 146.7 secs Computing kpt #: 78 total cpu time spent up to now is 148.6 secs Computing kpt #: 79 total cpu time spent up to now is 150.5 secs Computing kpt #: 80 total cpu time spent up to now is 152.3 secs Computing kpt #: 81 total cpu time spent up to now is 154.2 secs Computing kpt #: 82 total cpu time spent up to now is 156.1 secs Computing kpt #: 83 total cpu time spent up to now is 158.1 secs Computing kpt #: 84 total cpu time spent up to now is 159.9 secs Computing kpt #: 85 total cpu time spent up to now is 161.9 secs Computing kpt #: 86 total cpu time spent up to now is 163.7 secs Computing kpt #: 87 total cpu time spent up to now is 165.6 secs Computing kpt #: 88 total cpu time spent up to now is 167.5 secs Computing kpt #: 89 total cpu time spent up to now is 169.3 secs Computing kpt #: 90 total cpu time spent up to now is 171.2 secs Computing kpt #: 91 total cpu time spent up to now is 173.1 secs Computing kpt #: 92 total cpu time spent up to now is 174.9 secs Computing kpt #: 93 total cpu time spent up to now is 176.8 secs Computing kpt #: 94 total cpu time spent up to now is 178.7 secs Computing kpt #: 95 total cpu time spent up to now is 180.5 secs Computing kpt #: 96 total cpu time spent up to now is 182.3 secs Computing kpt #: 97 total cpu time spent up to now is 184.2 secs Computing kpt #: 98 total cpu time spent up to now is 186.1 secs Computing kpt #: 99 total cpu time spent up to now is 187.9 secs Computing kpt #: 100 total cpu time spent up to now is 189.8 secs Computing kpt #: 101 total cpu time spent up to now is 191.7 secs Computing kpt #: 102 total cpu time spent up to now is 193.5 secs Computing kpt #: 103 total cpu time spent up to now is 195.4 secs Computing kpt #: 104 total cpu time spent up to now is 197.3 secs Computing kpt #: 105 total cpu time spent up to now is 199.1 secs Computing kpt #: 106 total cpu time spent up to now is 200.9 secs Computing kpt #: 107 total cpu time spent up to now is 202.8 secs Computing kpt #: 108 total cpu time spent up to now is 204.7 secs Computing kpt #: 109 total cpu time spent up to now is 206.6 secs Computing kpt #: 110 total cpu time spent up to now is 208.5 secs Computing kpt #: 111 total cpu time spent up to now is 210.4 secs Computing kpt #: 112 total cpu time spent up to now is 212.3 secs Computing kpt #: 113 total cpu time spent up to now is 214.2 secs Computing kpt #: 114 total cpu time spent up to now is 216.1 secs Computing kpt #: 115 total cpu time spent up to now is 217.9 secs Computing kpt #: 116 total cpu time spent up to now is 219.9 secs Computing kpt #: 117 total cpu time spent up to now is 221.8 secs Computing kpt #: 118 total cpu time spent up to now is 223.7 secs Computing kpt #: 119 total cpu time spent up to now is 225.6 secs Computing kpt #: 120 total cpu time spent up to now is 227.7 secs Computing kpt #: 121 total cpu time spent up to now is 229.6 secs Computing kpt #: 122 total cpu time spent up to now is 232.0 secs Computing kpt #: 123 total cpu time spent up to now is 234.5 secs Computing kpt #: 124 total cpu time spent up to now is 236.7 secs Computing kpt #: 125 total cpu time spent up to now is 238.9 secs Computing kpt #: 126 total cpu time spent up to now is 241.0 secs Computing kpt #: 127 total cpu time spent up to now is 243.2 secs Computing kpt #: 128 total cpu time spent up to now is 245.3 secs Computing kpt #: 129 total cpu time spent up to now is 247.5 secs Computing kpt #: 130 total cpu time spent up to now is 249.6 secs Computing kpt #: 131 total cpu time spent up to now is 251.7 secs Computing kpt #: 132 total cpu time spent up to now is 253.9 secs Computing kpt #: 133 total cpu time spent up to now is 256.0 secs Computing kpt #: 134 total cpu time spent up to now is 258.2 secs Computing kpt #: 135 total cpu time spent up to now is 260.3 secs Computing kpt #: 136 total cpu time spent up to now is 262.4 secs Computing kpt #: 137 total cpu time spent up to now is 264.6 secs Computing kpt #: 138 total cpu time spent up to now is 266.8 secs Computing kpt #: 139 total cpu time spent up to now is 268.9 secs Computing kpt #: 140 total cpu time spent up to now is 271.1 secs Computing kpt #: 141 total cpu time spent up to now is 273.2 secs Computing kpt #: 142 total cpu time spent up to now is 275.4 secs Computing kpt #: 143 total cpu time spent up to now is 277.5 secs Computing kpt #: 144 total cpu time spent up to now is 279.7 secs Computing kpt #: 145 total cpu time spent up to now is 281.8 secs Computing kpt #: 146 total cpu time spent up to now is 284.0 secs Computing kpt #: 147 total cpu time spent up to now is 286.2 secs Computing kpt #: 148 total cpu time spent up to now is 288.4 secs Computing kpt #: 149 total cpu time spent up to now is 290.5 secs Computing kpt #: 150 total cpu time spent up to now is 292.7 secs Computing kpt #: 151 total cpu time spent up to now is 294.8 secs Computing kpt #: 152 total cpu time spent up to now is 297.0 secs Computing kpt #: 153 total cpu time spent up to now is 299.2 secs Computing kpt #: 154 total cpu time spent up to now is 301.4 secs Computing kpt #: 155 total cpu time spent up to now is 303.6 secs Computing kpt #: 156 total cpu time spent up to now is 305.8 secs Computing kpt #: 157 total cpu time spent up to now is 308.0 secs Computing kpt #: 158 total cpu time spent up to now is 310.2 secs Computing kpt #: 159 total cpu time spent up to now is 312.4 secs Computing kpt #: 160 total cpu time spent up to now is 314.6 secs Computing kpt #: 161 total cpu time spent up to now is 316.8 secs Computing kpt #: 162 total cpu time spent up to now is 319.0 secs Computing kpt #: 163 total cpu time spent up to now is 321.3 secs Computing kpt #: 164 total cpu time spent up to now is 323.5 secs Computing kpt #: 165 total cpu time spent up to now is 325.7 secs Computing kpt #: 166 total cpu time spent up to now is 327.9 secs Computing kpt #: 167 total cpu time spent up to now is 330.1 secs Computing kpt #: 168 total cpu time spent up to now is 332.2 secs Computing kpt #: 169 total cpu time spent up to now is 334.4 secs Computing kpt #: 170 total cpu time spent up to now is 336.6 secs Computing kpt #: 171 total cpu time spent up to now is 338.8 secs Computing kpt #: 172 total cpu time spent up to now is 341.0 secs Computing kpt #: 173 total cpu time spent up to now is 342.9 secs Computing kpt #: 174 total cpu time spent up to now is 344.8 secs Computing kpt #: 175 total cpu time spent up to now is 346.7 secs Computing kpt #: 176 total cpu time spent up to now is 348.6 secs Computing kpt #: 177 total cpu time spent up to now is 350.5 secs Computing kpt #: 178 total cpu time spent up to now is 352.7 secs Computing kpt #: 179 total cpu time spent up to now is 354.9 secs Computing kpt #: 180 total cpu time spent up to now is 357.1 secs Computing kpt #: 181 total cpu time spent up to now is 359.3 secs Computing kpt #: 182 total cpu time spent up to now is 361.5 secs Computing kpt #: 183 total cpu time spent up to now is 363.7 secs Computing kpt #: 184 total cpu time spent up to now is 365.9 secs Computing kpt #: 185 total cpu time spent up to now is 368.1 secs Computing kpt #: 186 total cpu time spent up to now is 370.0 secs Computing kpt #: 187 total cpu time spent up to now is 372.0 secs Computing kpt #: 188 total cpu time spent up to now is 373.9 secs Computing kpt #: 189 total cpu time spent up to now is 375.8 secs Computing kpt #: 190 total cpu time spent up to now is 377.8 secs Computing kpt #: 191 total cpu time spent up to now is 379.7 secs Computing kpt #: 192 total cpu time spent up to now is 381.6 secs Computing kpt #: 193 total cpu time spent up to now is 383.6 secs Computing kpt #: 194 total cpu time spent up to now is 385.5 secs Computing kpt #: 195 total cpu time spent up to now is 387.4 secs Computing kpt #: 196 total cpu time spent up to now is 389.4 secs Computing kpt #: 197 total cpu time spent up to now is 391.3 secs Computing kpt #: 198 total cpu time spent up to now is 393.2 secs Computing kpt #: 199 total cpu time spent up to now is 395.1 secs Computing kpt #: 200 total cpu time spent up to now is 397.0 secs Computing kpt #: 201 total cpu time spent up to now is 398.9 secs Computing kpt #: 202 total cpu time spent up to now is 400.8 secs Computing kpt #: 203 total cpu time spent up to now is 402.7 secs Computing kpt #: 204 total cpu time spent up to now is 404.6 secs Computing kpt #: 205 total cpu time spent up to now is 406.5 secs Computing kpt #: 206 total cpu time spent up to now is 408.4 secs Computing kpt #: 207 total cpu time spent up to now is 410.4 secs Computing kpt #: 208 total cpu time spent up to now is 412.2 secs Computing kpt #: 209 total cpu time spent up to now is 414.2 secs Computing kpt #: 210 total cpu time spent up to now is 416.1 secs Computing kpt #: 211 total cpu time spent up to now is 418.0 secs Computing kpt #: 212 total cpu time spent up to now is 419.9 secs Computing kpt #: 213 total cpu time spent up to now is 421.8 secs Computing kpt #: 214 total cpu time spent up to now is 423.8 secs Computing kpt #: 215 total cpu time spent up to now is 425.6 secs Computing kpt #: 216 total cpu time spent up to now is 427.5 secs Computing kpt #: 217 total cpu time spent up to now is 429.4 secs Computing kpt #: 218 total cpu time spent up to now is 431.3 secs Computing kpt #: 219 total cpu time spent up to now is 433.2 secs Computing kpt #: 220 total cpu time spent up to now is 435.1 secs Computing kpt #: 221 total cpu time spent up to now is 437.0 secs Computing kpt #: 222 total cpu time spent up to now is 438.9 secs Computing kpt #: 223 total cpu time spent up to now is 440.7 secs Computing kpt #: 224 total cpu time spent up to now is 442.6 secs Computing kpt #: 225 total cpu time spent up to now is 444.4 secs Computing kpt #: 226 total cpu time spent up to now is 446.2 secs Computing kpt #: 227 total cpu time spent up to now is 448.0 secs Computing kpt #: 228 total cpu time spent up to now is 449.9 secs Computing kpt #: 229 total cpu time spent up to now is 451.8 secs Computing kpt #: 230 total cpu time spent up to now is 453.6 secs Computing kpt #: 231 total cpu time spent up to now is 455.5 secs Computing kpt #: 232 total cpu time spent up to now is 457.3 secs Computing kpt #: 233 total cpu time spent up to now is 459.2 secs Computing kpt #: 234 total cpu time spent up to now is 461.0 secs Computing kpt #: 235 total cpu time spent up to now is 462.9 secs Computing kpt #: 236 total cpu time spent up to now is 464.7 secs Computing kpt #: 237 total cpu time spent up to now is 466.6 secs Computing kpt #: 238 total cpu time spent up to now is 468.4 secs Computing kpt #: 239 total cpu time spent up to now is 470.2 secs Computing kpt #: 240 total cpu time spent up to now is 472.1 secs Computing kpt #: 241 total cpu time spent up to now is 474.0 secs Computing kpt #: 242 total cpu time spent up to now is 475.8 secs Computing kpt #: 243 total cpu time spent up to now is 477.6 secs Computing kpt #: 244 total cpu time spent up to now is 479.5 secs Computing kpt #: 245 total cpu time spent up to now is 481.3 secs Computing kpt #: 246 total cpu time spent up to now is 483.3 secs Computing kpt #: 247 total cpu time spent up to now is 485.2 secs Computing kpt #: 248 total cpu time spent up to now is 487.0 secs Computing kpt #: 249 total cpu time spent up to now is 488.8 secs Computing kpt #: 250 total cpu time spent up to now is 490.8 secs Computing kpt #: 251 total cpu time spent up to now is 492.7 secs Computing kpt #: 252 total cpu time spent up to now is 494.6 secs Computing kpt #: 253 total cpu time spent up to now is 496.8 secs Computing kpt #: 254 total cpu time spent up to now is 499.0 secs Computing kpt #: 255 total cpu time spent up to now is 500.9 secs Computing kpt #: 256 total cpu time spent up to now is 502.8 secs Computing kpt #: 257 total cpu time spent up to now is 504.7 secs Computing kpt #: 258 total cpu time spent up to now is 506.6 secs Computing kpt #: 259 total cpu time spent up to now is 508.4 secs Computing kpt #: 260 total cpu time spent up to now is 510.3 secs Computing kpt #: 261 total cpu time spent up to now is 512.2 secs Computing kpt #: 262 total cpu time spent up to now is 514.1 secs Computing kpt #: 263 total cpu time spent up to now is 516.3 secs Computing kpt #: 264 total cpu time spent up to now is 518.2 secs Computing kpt #: 265 total cpu time spent up to now is 520.0 secs Computing kpt #: 266 total cpu time spent up to now is 522.2 secs Computing kpt #: 267 total cpu time spent up to now is 524.4 secs Computing kpt #: 268 total cpu time spent up to now is 526.6 secs Computing kpt #: 269 total cpu time spent up to now is 528.8 secs Computing kpt #: 270 total cpu time spent up to now is 530.9 secs Computing kpt #: 271 total cpu time spent up to now is 533.6 secs Computing kpt #: 272 total cpu time spent up to now is 535.8 secs Computing kpt #: 273 total cpu time spent up to now is 538.1 secs Computing kpt #: 274 total cpu time spent up to now is 540.3 secs Computing kpt #: 275 total cpu time spent up to now is 542.5 secs Computing kpt #: 276 total cpu time spent up to now is 544.7 secs Computing kpt #: 277 total cpu time spent up to now is 546.9 secs Computing kpt #: 278 total cpu time spent up to now is 549.1 secs Computing kpt #: 279 total cpu time spent up to now is 551.2 secs Computing kpt #: 280 total cpu time spent up to now is 553.4 secs Computing kpt #: 281 total cpu time spent up to now is 555.2 secs Computing kpt #: 282 total cpu time spent up to now is 557.0 secs Computing kpt #: 283 total cpu time spent up to now is 558.8 secs Computing kpt #: 284 total cpu time spent up to now is 560.6 secs Computing kpt #: 285 total cpu time spent up to now is 562.4 secs Computing kpt #: 286 total cpu time spent up to now is 564.3 secs Computing kpt #: 287 total cpu time spent up to now is 566.1 secs Computing kpt #: 288 total cpu time spent up to now is 567.9 secs Computing kpt #: 289 total cpu time spent up to now is 569.8 secs Computing kpt #: 290 total cpu time spent up to now is 571.6 secs Computing kpt #: 291 total cpu time spent up to now is 573.5 secs Computing kpt #: 292 total cpu time spent up to now is 575.3 secs Computing kpt #: 293 total cpu time spent up to now is 577.2 secs Computing kpt #: 294 total cpu time spent up to now is 579.0 secs Computing kpt #: 295 total cpu time spent up to now is 580.8 secs ethr = 2.17E-08, avg # of iterations = 19.0 total cpu time spent up to now is 580.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 17407 PWs) bands (ev): -49.5618 -49.5618 -42.6073 -42.6073 -42.6023 -42.6023 -42.0640 -42.0640 -21.6393 -21.6393 -21.4813 -21.4813 -21.4236 -21.4236 -16.9199 -16.9199 -16.7394 -16.7394 -16.6402 -16.6402 -16.6397 -16.6397 -7.0507 -7.0507 -6.8234 -6.8234 -6.5044 -6.5044 -6.5039 -6.5039 -2.5278 -2.5278 -1.8780 -1.8780 -1.8774 -1.8774 -1.6885 -1.6885 -0.6627 -0.6627 -0.0150 -0.0150 0.2759 0.2759 0.2783 0.2783 3.5673 3.5673 6.0850 6.0850 7.4616 7.4616 7.4628 7.4628 8.6979 8.6979 k = 0.0000 0.0000 0.0214 ( 17429 PWs) bands (ev): -49.5618 -49.5618 -42.6073 -42.6073 -42.6024 -42.6024 -42.0640 -42.0640 -21.6393 -21.6393 -21.4813 -21.4813 -21.4236 -21.4236 -16.9197 -16.9197 -16.7393 -16.7393 -16.6403 -16.6403 -16.6398 -16.6398 -7.0504 -7.0504 -6.8233 -6.8233 -6.5049 -6.5049 -6.5039 -6.5039 -2.5278 -2.5277 -1.8787 -1.8785 -1.8779 -1.8777 -1.6879 -1.6878 -0.6624 -0.6622 -0.0152 -0.0149 0.2751 0.2752 0.2779 0.2779 3.5694 3.5694 6.0875 6.0875 7.4614 7.4615 7.4640 7.4640 8.6955 8.6956 k = 0.0000 0.0000 0.0429 ( 17421 PWs) bands (ev): -49.5618 -49.5618 -42.6073 -42.6073 -42.6024 -42.6024 -42.0640 -42.0640 -21.6393 -21.6393 -21.4813 -21.4813 -21.4236 -21.4236 -16.9192 -16.9192 -16.7392 -16.7391 -16.6407 -16.6407 -16.6400 -16.6400 -7.0497 -7.0496 -6.8232 -6.8232 -6.5065 -6.5065 -6.5037 -6.5037 -2.5274 -2.5273 -1.8811 -1.8807 -1.8786 -1.8785 -1.6860 -1.6858 -0.6614 -0.6611 -0.0154 -0.0149 0.2715 0.2716 0.2778 0.2781 3.5756 3.5756 6.0948 6.0948 7.4599 7.4600 7.4687 7.4689 8.6885 8.6886 k = 0.0000 0.0000 0.0643 ( 17405 PWs) bands (ev): -49.5618 -49.5618 -42.6072 -42.6072 -42.6024 -42.6024 -42.0640 -42.0640 -21.6393 -21.6393 -21.4813 -21.4813 -21.4236 -21.4236 -16.9184 -16.9184 -16.7390 -16.7389 -16.6413 -16.6413 -16.6405 -16.6404 -7.0484 -7.0484 -6.8230 -6.8229 -6.5091 -6.5091 -6.5034 -6.5034 -2.5269 -2.5266 -1.8850 -1.8845 -1.8797 -1.8796 -1.6830 -1.6826 -0.6596 -0.6592 -0.0156 -0.0149 0.2648 0.2649 0.2786 0.2790 3.5859 3.5860 6.1068 6.1069 7.4571 7.4573 7.4768 7.4771 8.6767 8.6768 k = 0.0000 0.0000 0.0857 ( 17409 PWs) bands (ev): -49.5618 -49.5618 -42.6072 -42.6072 -42.6024 -42.6024 -42.0641 -42.0641 -21.6393 -21.6393 -21.4813 -21.4813 -21.4236 -21.4236 -16.9172 -16.9172 -16.7386 -16.7385 -16.6422 -16.6422 -16.6410 -16.6409 -7.0468 -7.0467 -6.8226 -6.8225 -6.5128 -6.5127 -6.5030 -6.5030 -2.5261 -2.5258 -1.8904 -1.8897 -1.8812 -1.8811 -1.6789 -1.6784 -0.6572 -0.6567 -0.0159 -0.0149 0.2554 0.2556 0.2797 0.2803 3.6003 3.6004 6.1237 6.1238 7.4530 7.4533 7.4881 7.4885 8.6600 8.6603 k = 0.0000 0.0000 0.1071 ( 17423 PWs) bands (ev): -49.5618 -49.5618 -42.6072 -42.6072 -42.6024 -42.6024 -42.0641 -42.0641 -21.6393 -21.6393 -21.4813 -21.4813 -21.4236 -21.4236 -16.9158 -16.9158 -16.7382 -16.7380 -16.6433 -16.6433 -16.6418 -16.6416 -7.0448 -7.0447 -6.8220 -6.8219 -6.5174 -6.5174 -6.5025 -6.5025 -2.5250 -2.5247 -1.8969 -1.8962 -1.8832 -1.8830 -1.6740 -1.6734 -0.6541 -0.6534 -0.0162 -0.0149 0.2436 0.2439 0.2813 0.2820 3.6187 3.6187 6.1452 6.1453 7.4477 7.4481 7.5024 7.5030 8.6386 8.6389 k = 0.0000 0.0000 0.1286 ( 17427 PWs) bands (ev): -49.5618 -49.5618 -42.6071 -42.6071 -42.6024 -42.6024 -42.0641 -42.0641 -21.6393 -21.6393 -21.4813 -21.4813 -21.4236 -21.4236 -16.9140 -16.9140 -16.7376 -16.7375 -16.6447 -16.6447 -16.6426 -16.6425 -7.0425 -7.0424 -6.8211 -6.8210 -6.5230 -6.5229 -6.5019 -6.5019 -2.5238 -2.5233 -1.9046 -1.9037 -1.8855 -1.8853 -1.6683 -1.6676 -0.6503 -0.6495 -0.0164 -0.0149 0.2296 0.2300 0.2831 0.2840 3.6408 3.6410 6.1712 6.1714 7.4410 7.4414 7.5197 7.5204 8.6128 8.6131 k = 0.0000 0.0000 0.1500 ( 17433 PWs) bands (ev): -49.5618 -49.5618 -42.6071 -42.6071 -42.6024 -42.6024 -42.0641 -42.0641 -21.6394 -21.6393 -21.4813 -21.4813 -21.4236 -21.4236 -16.9119 -16.9119 -16.7370 -16.7368 -16.6463 -16.6463 -16.6436 -16.6435 -7.0401 -7.0400 -6.8198 -6.8197 -6.5295 -6.5294 -6.5012 -6.5012 -2.5223 -2.5218 -1.9131 -1.9121 -1.8883 -1.8881 -1.6620 -1.6613 -0.6459 -0.6450 -0.0165 -0.0148 0.2136 0.2140 0.2853 0.2863 3.6668 3.6669 6.2017 6.2018 7.4328 7.4333 7.5398 7.5405 8.5829 8.5834 k = 0.0000 0.0000 0.1714 ( 17418 PWs) bands (ev): -49.5618 -49.5618 -42.6070 -42.6070 -42.6025 -42.6025 -42.0642 -42.0642 -21.6394 -21.6393 -21.4814 -21.4814 -21.4236 -21.4236 -16.9095 -16.9095 -16.7363 -16.7361 -16.6481 -16.6481 -16.6448 -16.6446 -7.0377 -7.0375 -6.8181 -6.8180 -6.5368 -6.5367 -6.5004 -6.5004 -2.5206 -2.5200 -1.9224 -1.9213 -1.8916 -1.8913 -1.6554 -1.6546 -0.6409 -0.6399 -0.0164 -0.0145 0.1958 0.1963 0.2877 0.2888 3.6963 3.6965 6.2364 6.2366 7.4229 7.4235 7.5623 7.5632 8.5499 8.5504 k = 0.0000 0.0000 0.1928 ( 17430 PWs) bands (ev): -49.5618 -49.5618 -42.6069 -42.6069 -42.6025 -42.6025 -42.0642 -42.0642 -21.6394 -21.6394 -21.4814 -21.4814 -21.4236 -21.4235 -16.9068 -16.9068 -16.7355 -16.7353 -16.6502 -16.6501 -16.6461 -16.6458 -7.0354 -7.0353 -6.8159 -6.8158 -6.5448 -6.5447 -6.4995 -6.4994 -2.5187 -2.5181 -1.9324 -1.9313 -1.8952 -1.8949 -1.6484 -1.6476 -0.6353 -0.6342 -0.0161 -0.0140 0.1765 0.1771 0.2904 0.2916 3.7294 3.7295 6.2752 6.2754 7.4113 7.4120 7.5872 7.5881 8.5144 8.5149 k = 0.0000 0.0000 0.2143 ( 17444 PWs) bands (ev): -49.5618 -49.5618 -42.6069 -42.6069 -42.6025 -42.6025 -42.0643 -42.0643 -21.6394 -21.6394 -21.4814 -21.4814 -21.4236 -21.4235 -16.9038 -16.9038 -16.7347 -16.7344 -16.6524 -16.6524 -16.6475 -16.6472 -7.0334 -7.0333 -6.8130 -6.8129 -6.5536 -6.5534 -6.4985 -6.4984 -2.5167 -2.5160 -1.9431 -1.9418 -1.8993 -1.8990 -1.6413 -1.6405 -0.6292 -0.6281 -0.0156 -0.0133 0.1560 0.1567 0.2932 0.2946 3.7658 3.7659 6.3179 6.3181 7.3978 7.3986 7.6139 7.6150 8.4773 8.4779 k = 0.0000 0.0000 0.2357 ( 17438 PWs) bands (ev): -49.5618 -49.5618 -42.6068 -42.6068 -42.6026 -42.6026 -42.0643 -42.0643 -21.6394 -21.6394 -21.4814 -21.4814 -21.4236 -21.4235 -16.9005 -16.9005 -16.7337 -16.7334 -16.6549 -16.6548 -16.6490 -16.6487 -7.0319 -7.0318 -6.8093 -6.8092 -6.5628 -6.5627 -6.4974 -6.4973 -2.5144 -2.5136 -1.9542 -1.9529 -1.9039 -1.9035 -1.6341 -1.6333 -0.6227 -0.6215 -0.0147 -0.0122 0.1347 0.1354 0.2963 0.2977 3.8053 3.8055 6.3641 6.3644 7.3824 7.3832 7.6421 7.6433 8.4395 8.4401 k = 0.0000 0.0000 0.2571 ( 17436 PWs) bands (ev): -49.5618 -49.5618 -42.6067 -42.6067 -42.6026 -42.6026 -42.0644 -42.0644 -21.6395 -21.6394 -21.4815 -21.4815 -21.4236 -21.4235 -16.8970 -16.8970 -16.7328 -16.7324 -16.6575 -16.6574 -16.6507 -16.6504 -7.0310 -7.0309 -6.8049 -6.8048 -6.5725 -6.5724 -6.4962 -6.4962 -2.5120 -2.5112 -1.9657 -1.9643 -1.9089 -1.9085 -1.6268 -1.6261 -0.6159 -0.6147 -0.0133 -0.0107 0.1126 0.1135 0.2994 0.3009 3.8480 3.8482 6.4138 6.4141 7.3649 7.3658 7.6712 7.6725 8.4016 8.4023 k = 0.0000 0.0000 0.2785 ( 17432 PWs) bands (ev): -49.5618 -49.5618 -42.6066 -42.6066 -42.6027 -42.6027 -42.0645 -42.0645 -21.6395 -21.6394 -21.4815 -21.4815 -21.4236 -21.4235 -16.8933 -16.8933 -16.7317 -16.7314 -16.6602 -16.6602 -16.6524 -16.6521 -7.0309 -7.0308 -6.7996 -6.7995 -6.5826 -6.5824 -6.4950 -6.4949 -2.5095 -2.5085 -1.9776 -1.9762 -1.9144 -1.9139 -1.6197 -1.6189 -0.6088 -0.6076 -0.0114 -0.0087 0.0903 0.0912 0.3027 0.3042 3.8935 3.8938 6.4666 6.4669 7.3454 7.3463 7.7007 7.7020 8.3644 8.3651 k = 0.0000 0.0000 0.3000 ( 17448 PWs) bands (ev): -49.5618 -49.5618 -42.6065 -42.6065 -42.6027 -42.6027 -42.0645 -42.0645 -21.6395 -21.6394 -21.4815 -21.4815 -21.4236 -21.4235 -16.8893 -16.8893 -16.7307 -16.7303 -16.6631 -16.6631 -16.6543 -16.6540 -7.0316 -7.0315 -6.7935 -6.7934 -6.5928 -6.5926 -6.4937 -6.4936 -2.5068 -2.5057 -1.9899 -1.9884 -1.9203 -1.9199 -1.6126 -1.6119 -0.6016 -0.6003 -0.0090 -0.0061 0.0679 0.0689 0.3060 0.3076 3.9419 3.9421 6.5221 6.5225 7.3238 7.3248 7.7295 7.7310 8.3285 8.3292 k = 0.0000 0.0000 0.3214 ( 17464 PWs) bands (ev): -49.5618 -49.5618 -42.6064 -42.6064 -42.6027 -42.6027 -42.0646 -42.0646 -21.6395 -21.6395 -21.4816 -21.4816 -21.4235 -21.4235 -16.8851 -16.8851 -16.7296 -16.7292 -16.6662 -16.6661 -16.6562 -16.6559 -7.0332 -7.0331 -6.7866 -6.7865 -6.6030 -6.6028 -6.4923 -6.4923 -2.5039 -2.5028 -2.0024 -2.0009 -1.9268 -1.9263 -1.6058 -1.6050 -0.5944 -0.5931 -0.0058 -0.0029 0.0458 0.0468 0.3094 0.3110 3.9929 3.9932 6.5800 6.5804 7.3003 7.3013 7.7568 7.7583 8.2943 8.2950 k = 0.0000 0.0000 0.3428 ( 17450 PWs) bands (ev): -49.5618 -49.5618 -42.6063 -42.6063 -42.6028 -42.6028 -42.0647 -42.0647 -21.6395 -21.6395 -21.4816 -21.4816 -21.4235 -21.4235 -16.8807 -16.8806 -16.7284 -16.7281 -16.6694 -16.6693 -16.6582 -16.6579 -7.0358 -7.0357 -6.7790 -6.7790 -6.6130 -6.6128 -6.4909 -6.4909 -2.5010 -2.4998 -2.0152 -2.0136 -1.9337 -1.9332 -1.5991 -1.5983 -0.5873 -0.5861 -0.0020 0.0010 0.0243 0.0252 0.3128 0.3145 4.0465 4.0468 6.6398 6.6403 7.2750 7.2760 7.7814 7.7830 8.2624 8.2631 k = 0.0000 0.0000 0.3643 ( 17442 PWs) bands (ev): -49.5618 -49.5618 -42.6062 -42.6062 -42.6028 -42.6028 -42.0647 -42.0647 -21.6396 -21.6395 -21.4816 -21.4816 -21.4235 -21.4235 -16.8761 -16.8760 -16.7273 -16.7269 -16.6726 -16.6725 -16.6603 -16.6600 -7.0394 -7.0393 -6.7711 -6.7711 -6.6226 -6.6224 -6.4894 -6.4894 -2.4979 -2.4966 -2.0281 -2.0264 -1.9411 -1.9405 -1.5927 -1.5919 -0.5805 -0.5793 -0.0005 0.0019 0.0064 0.0086 0.3162 0.3179 4.1025 4.1028 6.7009 6.7015 7.2481 7.2491 7.8019 7.8035 8.2330 8.2337 k = 0.0000 0.0000 0.3857 ( 17438 PWs) bands (ev): -49.5618 -49.5618 -42.6060 -42.6060 -42.6029 -42.6029 -42.0648 -42.0648 -21.6396 -21.6395 -21.4817 -21.4817 -21.4235 -21.4235 -16.8713 -16.8713 -16.7262 -16.7258 -16.6760 -16.6759 -16.6625 -16.6622 -7.0439 -7.0438 -6.7632 -6.7632 -6.6312 -6.6310 -6.4879 -6.4879 -2.4947 -2.4933 -2.0411 -2.0394 -1.9490 -1.9484 -1.5865 -1.5857 -0.5740 -0.5729 -0.0182 -0.0163 0.0097 0.0128 0.3196 0.3213 4.1609 4.1611 6.7627 6.7633 7.2201 7.2212 7.8172 7.8188 8.2065 8.2073 k = 0.0000 0.0000 0.4071 ( 17442 PWs) bands (ev): -49.5618 -49.5618 -42.6059 -42.6059 -42.6029 -42.6029 -42.0649 -42.0649 -21.6396 -21.6396 -21.4817 -21.4817 -21.4235 -21.4235 -16.8664 -16.8663 -16.7250 -16.7246 -16.6794 -16.6793 -16.6647 -16.6644 -7.0493 -7.0492 -6.7559 -6.7558 -6.6384 -6.6382 -6.4864 -6.4864 -2.4914 -2.4900 -2.0543 -2.0525 -1.9574 -1.9568 -1.5805 -1.5797 -0.5682 -0.5671 -0.0371 -0.0353 0.0165 0.0197 0.3230 0.3247 4.2215 4.2217 6.8239 6.8246 7.1918 7.1928 7.8261 7.8277 8.1832 8.1839 k = 0.0000 0.0000 0.4285 ( 17438 PWs) bands (ev): -49.5618 -49.5618 -42.6058 -42.6058 -42.6030 -42.6030 -42.0650 -42.0650 -21.6396 -21.6396 -21.4817 -21.4817 -21.4235 -21.4234 -16.8613 -16.8613 -16.7239 -16.7235 -16.6828 -16.6827 -16.6670 -16.6667 -7.0555 -7.0554 -6.7497 -6.7497 -6.6436 -6.6434 -6.4848 -6.4848 -2.4880 -2.4865 -2.0675 -2.0657 -1.9663 -1.9656 -1.5748 -1.5740 -0.5630 -0.5621 -0.0550 -0.0531 0.0246 0.0278 0.3263 0.3280 4.2842 4.2844 6.8826 6.8835 7.1642 7.1653 7.8284 7.8299 8.1629 8.1637 k = 0.0000 0.0000 0.4500 ( 17446 PWs) bands (ev): -49.5618 -49.5618 -42.6057 -42.6057 -42.6030 -42.6030 -42.0650 -42.0650 -21.6397 -21.6396 -21.4818 -21.4818 -21.4235 -21.4234 -16.8562 -16.8561 -16.7228 -16.7224 -16.6863 -16.6862 -16.6693 -16.6690 -7.0625 -7.0625 -6.7457 -6.7456 -6.6458 -6.6456 -6.4833 -6.4832 -2.4845 -2.4829 -2.0807 -2.0788 -1.9756 -1.9749 -1.5694 -1.5685 -0.5586 -0.5578 -0.0716 -0.0696 0.0340 0.0371 0.3295 0.3313 4.3489 4.3491 6.9353 6.9364 7.1403 7.1414 7.8246 7.8260 8.1455 8.1463 k = 0.0000 0.0000 0.4714 ( 17430 PWs) bands (ev): -49.5618 -49.5618 -42.6055 -42.6055 -42.6031 -42.6031 -42.0651 -42.0651 -21.6397 -21.6396 -21.4818 -21.4818 -21.4235 -21.4234 -16.8509 -16.8508 -16.7218 -16.7214 -16.6898 -16.6897 -16.6716 -16.6714 -7.0702 -7.0701 -6.7445 -6.7444 -6.6446 -6.6444 -6.4817 -6.4816 -2.4809 -2.4793 -2.0939 -2.0920 -1.9853 -1.9846 -1.5642 -1.5633 -0.5550 -0.5544 -0.0869 -0.0848 0.0446 0.0477 0.3327 0.3344 4.4155 4.4158 6.9738 6.9752 7.1269 7.1280 7.8165 7.8177 8.1306 8.1314 k = 0.0000 0.0000 0.4928 ( 17446 PWs) bands (ev): -49.5618 -49.5618 -42.6054 -42.6054 -42.6031 -42.6031 -42.0652 -42.0652 -21.6397 -21.6397 -21.4819 -21.4819 -21.4235 -21.4234 -16.8456 -16.8455 -16.7208 -16.7204 -16.6932 -16.6931 -16.6740 -16.6737 -7.0785 -7.0784 -6.7460 -6.7459 -6.6398 -6.6397 -6.4801 -6.4800 -2.4772 -2.4755 -2.1070 -2.1050 -1.9955 -1.9947 -1.5593 -1.5583 -0.5524 -0.5518 -0.1008 -0.0986 0.0564 0.0594 0.3358 0.3375 4.4840 4.4843 6.9861 6.9876 7.1345 7.1354 7.8066 7.8076 8.1181 8.1188 k = 0.0000 0.0000 0.5142 ( 17424 PWs) bands (ev): -49.5618 -49.5618 -42.6053 -42.6053 -42.6032 -42.6032 -42.0653 -42.0653 -21.6397 -21.6397 -21.4819 -21.4819 -21.4235 -21.4234 -16.8402 -16.8401 -16.7198 -16.7195 -16.6966 -16.6965 -16.6764 -16.6761 -7.0873 -7.0872 -6.7499 -6.7498 -6.6322 -6.6321 -6.4785 -6.4784 -2.4735 -2.4717 -2.1200 -2.1180 -2.0060 -2.0051 -1.5545 -1.5536 -0.5507 -0.5502 -0.1133 -0.1111 0.0694 0.0723 0.3388 0.3405 4.5543 4.5546 6.9735 6.9748 7.1594 7.1601 7.7982 7.7991 8.1079 8.1086 k = 0.0000 0.0000 0.5357 ( 17410 PWs) bands (ev): -49.5618 -49.5618 -42.6052 -42.6052 -42.6032 -42.6032 -42.0653 -42.0653 -21.6398 -21.6397 -21.4819 -21.4819 -21.4235 -21.4234 -16.8347 -16.8346 -16.7189 -16.7186 -16.7000 -16.6999 -16.6788 -16.6786 -7.0966 -7.0964 -6.7553 -6.7552 -6.6224 -6.6224 -6.4768 -6.4768 -2.4696 -2.4678 -2.1329 -2.1308 -2.0168 -2.0159 -1.5500 -1.5490 -0.5499 -0.5494 -0.1245 -0.1223 0.0835 0.0863 0.3417 0.3434 4.6262 4.6265 6.9489 6.9501 7.1856 7.1862 7.7947 7.7954 8.1005 8.1011 k = 0.0000 0.0000 0.5571 ( 17422 PWs) bands (ev): -49.5618 -49.5618 -42.6050 -42.6050 -42.6033 -42.6033 -42.0654 -42.0654 -21.6398 -21.6397 -21.4820 -21.4820 -21.4234 -21.4234 -16.8293 -16.8292 -16.7181 -16.7178 -16.7033 -16.7032 -16.6812 -16.6810 -7.1061 -7.1059 -6.7617 -6.7616 -6.6113 -6.6113 -6.4752 -6.4752 -2.4657 -2.4638 -2.1455 -2.1435 -2.0279 -2.0269 -1.5456 -1.5446 -0.5499 -0.5494 -0.1345 -0.1322 0.0985 0.1013 0.3445 0.3462 4.6997 4.7000 6.9199 6.9210 7.2030 7.2035 7.7989 7.7993 8.0968 8.0974 k = 0.0000 0.0000 0.5785 ( 17430 PWs) bands (ev): -49.5618 -49.5618 -42.6049 -42.6049 -42.6033 -42.6033 -42.0655 -42.0655 -21.6398 -21.6398 -21.4820 -21.4820 -21.4234 -21.4234 -16.8238 -16.8237 -16.7174 -16.7172 -16.7065 -16.7064 -16.6836 -16.6834 -7.1158 -7.1156 -6.7685 -6.7684 -6.5994 -6.5994 -6.4736 -6.4736 -2.4616 -2.4597 -2.1580 -2.1559 -2.0391 -2.0381 -1.5415 -1.5405 -0.5506 -0.5501 -0.1433 -0.1411 0.1144 0.1170 0.3473 0.3489 4.7747 4.7749 6.8893 6.8903 7.2072 7.2076 7.8115 7.8117 8.0982 8.0988 k = 0.0000 0.0000 0.5999 ( 17422 PWs) bands (ev): -49.5618 -49.5618 -42.6048 -42.6048 -42.6034 -42.6034 -42.0656 -42.0656 -21.6398 -21.6398 -21.4820 -21.4820 -21.4234 -21.4234 -16.8184 -16.8183 -16.7169 -16.7166 -16.7095 -16.7094 -16.6860 -16.6858 -7.1256 -7.1254 -6.7754 -6.7753 -6.5871 -6.5871 -6.4720 -6.4719 -2.4575 -2.4555 -2.1702 -2.1681 -2.0504 -2.0494 -1.5375 -1.5365 -0.5520 -0.5514 -0.1510 -0.1488 0.1309 0.1334 0.3500 0.3516 4.8510 4.8512 6.8584 6.8594 7.1975 7.1977 7.8303 7.8304 8.1070 8.1075 k = 0.0000 0.0000 0.6214 ( 17398 PWs) bands (ev): -49.5618 -49.5618 -42.6047 -42.6047 -42.6034 -42.6034 -42.0656 -42.0656 -21.6398 -21.6398 -21.4821 -21.4821 -21.4234 -21.4234 -16.8131 -16.8129 -16.7165 -16.7163 -16.7122 -16.7121 -16.6884 -16.6882 -7.1354 -7.1353 -6.7823 -6.7822 -6.5748 -6.5747 -6.4704 -6.4703 -2.4533 -2.4513 -2.1821 -2.1800 -2.0617 -2.0607 -1.5337 -1.5327 -0.5538 -0.5532 -0.1578 -0.1557 0.1479 0.1502 0.3526 0.3542 4.9285 4.9288 6.8280 6.8289 7.1752 7.1754 7.8509 7.8512 8.1252 8.1256 k = 0.0000 0.0000 0.6428 ( 17402 PWs) bands (ev): -49.5618 -49.5618 -42.6046 -42.6046 -42.6035 -42.6035 -42.0657 -42.0657 -21.6399 -21.6398 -21.4821 -21.4821 -21.4234 -21.4234 -16.8078 -16.8076 -16.7171 -16.7168 -16.7140 -16.7140 -16.6908 -16.6907 -7.1451 -7.1450 -6.7889 -6.7888 -6.5626 -6.5626 -6.4687 -6.4686 -2.4490 -2.4469 -2.1938 -2.1916 -2.0730 -2.0720 -1.5300 -1.5291 -0.5559 -0.5553 -0.1637 -0.1617 0.1650 0.1671 0.3552 0.3568 5.0072 5.0074 6.7984 6.7992 7.1429 7.1431 7.8691 7.8695 8.1541 8.1545 k = 0.0000 0.0000 0.6642 ( 17404 PWs) bands (ev): -49.5618 -49.5618 -42.6045 -42.6045 -42.6035 -42.6035 -42.0658 -42.0658 -21.6399 -21.6398 -21.4821 -21.4821 -21.4234 -21.4234 -16.8026 -16.8024 -16.7190 -16.7187 -16.7144 -16.7143 -16.6932 -16.6931 -7.1546 -7.1545 -6.7953 -6.7952 -6.5508 -6.5507 -6.4670 -6.4670 -2.4446 -2.4425 -2.2050 -2.2028 -2.0840 -2.0830 -1.5266 -1.5256 -0.5583 -0.5577 -0.1689 -0.1669 0.1821 0.1841 0.3579 0.3593 5.0869 5.0871 6.7699 6.7707 7.1029 7.1030 7.8824 7.8829 8.1923 8.1925 k = 0.0000 0.0000 0.6856 ( 17414 PWs) bands (ev): -49.5618 -49.5618 -42.6044 -42.6044 -42.6036 -42.6036 -42.0658 -42.0658 -21.6399 -21.6399 -21.4821 -21.4821 -21.4234 -21.4234 -16.7975 -16.7973 -16.7213 -16.7210 -16.7143 -16.7142 -16.6957 -16.6954 -7.1639 -7.1637 -6.8012 -6.8011 -6.5395 -6.5395 -6.4653 -6.4652 -2.4401 -2.4380 -2.2159 -2.2137 -2.0948 -2.0938 -1.5233 -1.5224 -0.5609 -0.5602 -0.1734 -0.1716 0.1988 0.2007 0.3605 0.3619 5.1673 5.1676 6.7428 6.7436 7.0571 7.0571 7.8911 7.8916 8.2350 8.2352 k = 0.0000 0.0000 0.7071 ( 17406 PWs) bands (ev): -49.5618 -49.5618 -42.6043 -42.6043 -42.6036 -42.6036 -42.0659 -42.0659 -21.6399 -21.6399 -21.4822 -21.4822 -21.4234 -21.4234 -16.7926 -16.7924 -16.7235 -16.7232 -16.7141 -16.7140 -16.6981 -16.6978 -7.1727 -7.1726 -6.8068 -6.8067 -6.5289 -6.5289 -6.4635 -6.4634 -2.4356 -2.4335 -2.2264 -2.2242 -2.1052 -2.1042 -1.5201 -1.5193 -0.5634 -0.5628 -0.1773 -0.1756 0.2150 0.2167 0.3632 0.3645 5.2484 5.2487 6.7173 6.7180 7.0067 7.0068 7.8963 7.8968 8.2749 8.2750 k = 0.0000 0.0000 0.7285 ( 17416 PWs) bands (ev): -49.5618 -49.5618 -42.6042 -42.6042 -42.6036 -42.6036 -42.0659 -42.0659 -21.6399 -21.6399 -21.4822 -21.4822 -21.4234 -21.4234 -16.7879 -16.7877 -16.7255 -16.7252 -16.7139 -16.7138 -16.7005 -16.7002 -7.1811 -7.1809 -6.8119 -6.8118 -6.5192 -6.5191 -6.4616 -6.4615 -2.4310 -2.4289 -2.2364 -2.2342 -2.1151 -2.1142 -1.5172 -1.5164 -0.5660 -0.5653 -0.1807 -0.1791 0.2303 0.2319 0.3660 0.3672 5.3300 5.3302 6.6934 6.6941 6.9529 6.9530 7.8996 7.9001 8.3025 8.3027 k = 0.0000 0.0000 0.7499 ( 17416 PWs) bands (ev): -49.5618 -49.5618 -42.6041 -42.6041 -42.6037 -42.6037 -42.0660 -42.0660 -21.6399 -21.6399 -21.4822 -21.4822 -21.4234 -21.4234 -16.7834 -16.7832 -16.7273 -16.7270 -16.7138 -16.7137 -16.7029 -16.7026 -7.1889 -7.1888 -6.8166 -6.8165 -6.5104 -6.5104 -6.4595 -6.4594 -2.4264 -2.4243 -2.2460 -2.2438 -2.1244 -2.1235 -1.5145 -1.5138 -0.5684 -0.5677 -0.1837 -0.1822 0.2446 0.2460 0.3689 0.3700 5.4116 5.4118 6.6714 6.6720 6.8964 6.8964 7.9020 7.9026 8.3092 8.3096 k = 0.0000 0.0000 0.7714 ( 17396 PWs) bands (ev): -49.5618 -49.5618 -42.6041 -42.6041 -42.6037 -42.6037 -42.0660 -42.0660 -21.6400 -21.6399 -21.4822 -21.4822 -21.4234 -21.4233 -16.7792 -16.7789 -16.7288 -16.7285 -16.7137 -16.7136 -16.7054 -16.7050 -7.1961 -7.1960 -6.8207 -6.8207 -6.5028 -6.5027 -6.4572 -6.4571 -2.4217 -2.4197 -2.2550 -2.2529 -2.1330 -2.1322 -1.5120 -1.5113 -0.5706 -0.5701 -0.1862 -0.1849 0.2576 0.2588 0.3719 0.3730 5.4931 5.4933 6.6512 6.6517 6.8377 6.8378 7.9045 7.9051 8.2932 8.2938 k = 0.0000 0.0000 0.7928 ( 17384 PWs) bands (ev): -49.5618 -49.5618 -42.6040 -42.6040 -42.6037 -42.6037 -42.0661 -42.0661 -21.6400 -21.6399 -21.4822 -21.4822 -21.4234 -21.4233 -16.7753 -16.7750 -16.7300 -16.7297 -16.7136 -16.7136 -16.7078 -16.7075 -7.2026 -7.2025 -6.8244 -6.8244 -6.4963 -6.4962 -6.4548 -6.4547 -2.4172 -2.4152 -2.2634 -2.2614 -2.1408 -2.1401 -1.5098 -1.5092 -0.5727 -0.5722 -0.1883 -0.1872 0.2690 0.2701 0.3751 0.3760 5.5739 5.5741 6.6328 6.6332 6.7777 6.7777 7.9077 7.9083 8.2612 8.2619 k = 0.0000 0.0000 0.8142 ( 17388 PWs) bands (ev): -49.5618 -49.5618 -42.6039 -42.6039 -42.6037 -42.6037 -42.0661 -42.0661 -21.6400 -21.6400 -21.4823 -21.4823 -21.4234 -21.4233 -16.7717 -16.7715 -16.7309 -16.7305 -16.7136 -16.7136 -16.7102 -16.7099 -7.2083 -7.2083 -6.8276 -6.8276 -6.4910 -6.4909 -6.4522 -6.4521 -2.4128 -2.4109 -2.2711 -2.2692 -2.1478 -2.1471 -1.5078 -1.5072 -0.5745 -0.5741 -0.1901 -0.1891 0.2789 0.2798 0.3783 0.3791 5.6535 5.6536 6.6157 6.6162 6.7172 6.7173 7.9120 7.9127 8.2212 8.2220 k = 0.0000 0.0000 0.8356 ( 17384 PWs) bands (ev): -49.5618 -49.5618 -42.6039 -42.6039 -42.6038 -42.6038 -42.0661 -42.0661 -21.6400 -21.6400 -21.4823 -21.4823 -21.4234 -21.4233 -16.7686 -16.7684 -16.7313 -16.7309 -16.7136 -16.7136 -16.7126 -16.7122 -7.2133 -7.2132 -6.8304 -6.8303 -6.4868 -6.4868 -6.4496 -6.4495 -2.4086 -2.4069 -2.2780 -2.2763 -2.1538 -2.1533 -1.5061 -1.5056 -0.5761 -0.5757 -0.1915 -0.1907 0.2871 0.2878 0.3815 0.3821 5.7309 5.7310 6.5982 6.5986 6.6592 6.6594 7.9178 7.9186 8.1791 8.1800 k = 0.0000 0.0000 0.8571 ( 17384 PWs) bands (ev): -49.5618 -49.5618 -42.6039 -42.6039 -42.6038 -42.6038 -42.0662 -42.0662 -21.6400 -21.6400 -21.4823 -21.4823 -21.4234 -21.4233 -16.7660 -16.7658 -16.7314 -16.7310 -16.7150 -16.7146 -16.7136 -16.7136 -7.2174 -7.2174 -6.8326 -6.8326 -6.4837 -6.4836 -6.4471 -6.4470 -2.4047 -2.4032 -2.2840 -2.2825 -2.1588 -2.1584 -1.5046 -1.5043 -0.5774 -0.5771 -0.1927 -0.1920 0.2937 0.2942 0.3845 0.3850 5.8047 5.8049 6.5701 6.5707 6.6148 6.6152 7.9256 7.9263 8.1385 8.1394 k = 0.0000 0.0000 0.8785 ( 17376 PWs) bands (ev): -49.5618 -49.5618 -42.6038 -42.6038 -42.6038 -42.6038 -42.0662 -42.0662 -21.6400 -21.6400 -21.4823 -21.4823 -21.4234 -21.4233 -16.7639 -16.7637 -16.7310 -16.7306 -16.7172 -16.7168 -16.7136 -16.7136 -7.2207 -7.2206 -6.8343 -6.8343 -6.4814 -6.4814 -6.4450 -6.4449 -2.4014 -2.4002 -2.2889 -2.2877 -2.1628 -2.1624 -1.5035 -1.5032 -0.5784 -0.5782 -0.1936 -0.1931 0.2986 0.2991 0.3871 0.3875 5.8727 5.8728 6.5229 6.5232 6.5956 6.5959 7.9352 7.9359 8.1017 8.1026 k = 0.0000 0.0000 0.8999 ( 17358 PWs) bands (ev): -49.5617 -49.5617 -42.6038 -42.6038 -42.6038 -42.6038 -42.0662 -42.0662 -21.6400 -21.6400 -21.4823 -21.4823 -21.4233 -21.4233 -16.7624 -16.7623 -16.7304 -16.7300 -16.7191 -16.7188 -16.7136 -16.7136 -7.2230 -7.2230 -6.8356 -6.8355 -6.4799 -6.4799 -6.4433 -6.4432 -2.3987 -2.3979 -2.2925 -2.2916 -2.1656 -2.1654 -1.5026 -1.5025 -0.5791 -0.5790 -0.1941 -0.1938 0.3021 0.3024 0.3891 0.3894 5.9306 5.9307 6.4750 6.4752 6.5867 6.5869 7.9464 7.9470 8.0704 8.0712 k = 0.0000 0.0000 0.9213 ( 17348 PWs) bands (ev): -49.5617 -49.5617 -42.6038 -42.6038 -42.6038 -42.6038 -42.0662 -42.0662 -21.6400 -21.6400 -21.4823 -21.4823 -21.4233 -21.4233 -16.7615 -16.7614 -16.7296 -16.7294 -16.7205 -16.7203 -16.7136 -16.7136 -7.2244 -7.2244 -6.8363 -6.8363 -6.4791 -6.4790 -6.4422 -6.4422 -2.3969 -2.3965 -2.2946 -2.2942 -2.1673 -2.1672 -1.5021 -1.5020 -0.5795 -0.5795 -0.1945 -0.1943 0.3042 0.3043 0.3904 0.3906 5.9716 5.9717 6.4392 6.4393 6.5821 6.5822 7.9572 7.9577 8.0473 8.0479 k = 0.0000 0.0000 0.9428 ( 17338 PWs) bands (ev): -49.5617 -49.5617 -42.6038 -42.6038 -42.6038 -42.6038 -42.0662 -42.0662 -21.6400 -21.6400 -21.4823 -21.4823 -21.4233 -21.4233 -16.7612 -16.7612 -16.7292 -16.7292 -16.7210 -16.7210 -16.7136 -16.7136 -7.2249 -7.2249 -6.8365 -6.8365 -6.4788 -6.4788 -6.4419 -6.4419 -2.3962 -2.3962 -2.2952 -2.2952 -2.1678 -2.1678 -1.5019 -1.5019 -0.5796 -0.5796 -0.1945 -0.1945 0.3049 0.3049 0.3909 0.3909 5.9869 5.9869 6.4257 6.4257 6.5806 6.5806 7.9626 7.9626 8.0383 8.0383 k = 0.0000 0.0000 0.9428 ( 17338 PWs) bands (ev): -49.5617 -49.5617 -42.6038 -42.6038 -42.6038 -42.6038 -42.0662 -42.0662 -21.6400 -21.6400 -21.4823 -21.4823 -21.4233 -21.4233 -16.7612 -16.7612 -16.7292 -16.7292 -16.7210 -16.7210 -16.7136 -16.7136 -7.2249 -7.2249 -6.8365 -6.8365 -6.4788 -6.4788 -6.4419 -6.4419 -2.3962 -2.3962 -2.2952 -2.2952 -2.1678 -2.1678 -1.5019 -1.5019 -0.5796 -0.5796 -0.1945 -0.1945 0.3049 0.3049 0.3909 0.3909 5.9869 5.9869 6.4257 6.4257 6.5806 6.5806 7.9626 7.9626 8.0383 8.0383 k =-0.0109 0.0174 0.9428 ( 17346 PWs) bands (ev): -49.5617 -49.5617 -42.6038 -42.6038 -42.6038 -42.6038 -42.0662 -42.0662 -21.6400 -21.6400 -21.4823 -21.4823 -21.4233 -21.4233 -16.7612 -16.7612 -16.7294 -16.7293 -16.7209 -16.7208 -16.7136 -16.7136 -7.2244 -7.2244 -6.8363 -6.8363 -6.4791 -6.4790 -6.4421 -6.4421 -2.3965 -2.3962 -2.2947 -2.2944 -2.1676 -2.1675 -1.5022 -1.5021 -0.5794 -0.5793 -0.1944 -0.1943 0.3043 0.3043 0.3904 0.3904 5.9872 5.9873 6.3949 6.3953 6.6095 6.6099 7.9655 7.9655 8.0370 8.0371 k =-0.0217 0.0348 0.9428 ( 17368 PWs) bands (ev): -49.5617 -49.5617 -42.6038 -42.6038 -42.6038 -42.6038 -42.0662 -42.0662 -21.6400 -21.6400 -21.4823 -21.4823 -21.4233 -21.4233 -16.7613 -16.7613 -16.7300 -16.7297 -16.7207 -16.7205 -16.7133 -16.7133 -7.2231 -7.2231 -6.8357 -6.8357 -6.4799 -6.4799 -6.4429 -6.4429 -2.3972 -2.3966 -2.2928 -2.2923 -2.1667 -2.1665 -1.5031 -1.5029 -0.5786 -0.5785 -0.1939 -0.1938 0.3025 0.3026 0.3888 0.3889 5.9882 5.9882 6.3327 6.3332 6.6667 6.6672 7.9742 7.9742 8.0332 8.0333 k =-0.0326 0.0521 0.9428 ( 17366 PWs) bands (ev): -49.5617 -49.5617 -42.6038 -42.6038 -42.6038 -42.6038 -42.0662 -42.0662 -21.6400 -21.6400 -21.4823 -21.4823 -21.4233 -21.4233 -16.7615 -16.7615 -16.7307 -16.7304 -16.7205 -16.7202 -16.7129 -16.7128 -7.2209 -7.2209 -6.8347 -6.8346 -6.4815 -6.4814 -6.4442 -6.4442 -2.3981 -2.3974 -2.2896 -2.2889 -2.1653 -2.1649 -1.5045 -1.5042 -0.5773 -0.5770 -0.1931 -0.1930 0.2995 0.2996 0.3864 0.3865 5.9897 5.9898 6.2616 6.2622 6.7295 6.7300 7.9888 7.9889 8.0269 8.0270 k =-0.0435 0.0695 0.9428 ( 17370 PWs) bands (ev): -49.5617 -49.5617 -42.6039 -42.6039 -42.6038 -42.6038 -42.0662 -42.0662 -21.6400 -21.6400 -21.4823 -21.4823 -21.4234 -21.4233 -16.7618 -16.7618 -16.7315 -16.7312 -16.7203 -16.7200 -16.7121 -16.7121 -7.2179 -7.2178 -6.8332 -6.8332 -6.4837 -6.4836 -6.4459 -6.4458 -2.3994 -2.3984 -2.2853 -2.2843 -2.1632 -2.1627 -1.5064 -1.5061 -0.5754 -0.5751 -0.1920 -0.1918 0.2951 0.2952 0.3832 0.3835 5.9919 5.9920 6.1874 6.1880 6.7916 6.7921 8.0080 8.0085 8.0192 8.0195 k =-0.0544 0.0869 0.9428 ( 17366 PWs) bands (ev): -49.5617 -49.5617 -42.6039 -42.6039 -42.6037 -42.6037 -42.0661 -42.0661 -21.6400 -21.6400 -21.4823 -21.4823 -21.4234 -21.4233 -16.7623 -16.7622 -16.7324 -16.7320 -16.7203 -16.7200 -16.7111 -16.7110 -7.2140 -7.2139 -6.8313 -6.8313 -6.4867 -6.4866 -6.4478 -6.4477 -2.4008 -2.3996 -2.2797 -2.2786 -2.1605 -2.1599 -1.5089 -1.5085 -0.5731 -0.5726 -0.1905 -0.1902 0.2890 0.2893 0.3796 0.3799 5.9947 5.9948 6.1120 6.1126 6.8509 6.8514 8.0049 8.0055 8.0379 8.0382 k =-0.0652 0.1043 0.9428 ( 17388 PWs) bands (ev): -49.5618 -49.5618 -42.6039 -42.6039 -42.6037 -42.6037 -42.0661 -42.0661 -21.6400 -21.6400 -21.4823 -21.4823 -21.4234 -21.4233 -16.7628 -16.7628 -16.7334 -16.7330 -16.7203 -16.7201 -16.7098 -16.7097 -7.2093 -7.2092 -6.8290 -6.8290 -6.4906 -6.4905 -6.4499 -6.4498 -2.4023 -2.4010 -2.2731 -2.2719 -2.1573 -2.1565 -1.5119 -1.5114 -0.5701 -0.5696 -0.1886 -0.1883 0.2813 0.2815 0.3758 0.3762 5.9979 5.9981 6.0362 6.0368 6.9062 6.9067 7.9910 7.9916 8.0713 8.0715 k =-0.0761 0.1216 0.9428 ( 17398 PWs) bands (ev): -49.5618 -49.5618 -42.6040 -42.6040 -42.6037 -42.6037 -42.0661 -42.0661 -21.6400 -21.6400 -21.4822 -21.4822 -21.4234 -21.4234 -16.7636 -16.7636 -16.7345 -16.7341 -16.7203 -16.7201 -16.7083 -16.7081 -7.2039 -7.2038 -6.8263 -6.8263 -6.4955 -6.4954 -6.4520 -6.4519 -2.4040 -2.4026 -2.2655 -2.2642 -2.1535 -2.1527 -1.5154 -1.5149 -0.5667 -0.5661 -0.1863 -0.1860 0.2716 0.2719 0.3719 0.3724 5.9598 5.9604 6.0024 6.0026 6.9567 6.9571 7.9742 7.9748 8.1116 8.1117 k =-0.0870 0.1390 0.9428 ( 17398 PWs) bands (ev): -49.5618 -49.5618 -42.6041 -42.6041 -42.6037 -42.6037 -42.0661 -42.0661 -21.6400 -21.6399 -21.4822 -21.4822 -21.4234 -21.4234 -16.7646 -16.7645 -16.7357 -16.7353 -16.7202 -16.7200 -16.7066 -16.7065 -7.1977 -7.1976 -6.8232 -6.8231 -6.5013 -6.5012 -6.4540 -6.4539 -2.4056 -2.4041 -2.2569 -2.2555 -2.1492 -2.1482 -1.5195 -1.5188 -0.5628 -0.5621 -0.1836 -0.1832 0.2601 0.2604 0.3683 0.3689 5.8843 5.8850 6.0068 6.0070 7.0016 7.0021 7.9547 7.9554 8.1584 8.1586 k =-0.0978 0.1564 0.9428 ( 17404 PWs) bands (ev): -49.5618 -49.5618 -42.6041 -42.6041 -42.6037 -42.6037 -42.0660 -42.0660 -21.6399 -21.6399 -21.4822 -21.4822 -21.4234 -21.4234 -16.7657 -16.7656 -16.7371 -16.7368 -16.7198 -16.7196 -16.7048 -16.7047 -7.1909 -7.1908 -6.8196 -6.8196 -6.5081 -6.5080 -6.4560 -6.4559 -2.4073 -2.4058 -2.2476 -2.2461 -2.1444 -2.1433 -1.5240 -1.5233 -0.5585 -0.5577 -0.1804 -0.1800 0.2466 0.2469 0.3649 0.3655 5.8093 5.8099 6.0118 6.0121 7.0406 7.0411 7.9326 7.9333 8.2117 8.2119 k =-0.0978 0.1564 0.9428 ( 17404 PWs) bands (ev): -49.5618 -49.5618 -42.6041 -42.6041 -42.6037 -42.6037 -42.0660 -42.0660 -21.6399 -21.6399 -21.4822 -21.4822 -21.4234 -21.4234 -16.7657 -16.7656 -16.7371 -16.7368 -16.7198 -16.7196 -16.7048 -16.7047 -7.1909 -7.1908 -6.8196 -6.8196 -6.5081 -6.5080 -6.4560 -6.4559 -2.4073 -2.4058 -2.2476 -2.2461 -2.1444 -2.1433 -1.5240 -1.5233 -0.5585 -0.5577 -0.1804 -0.1800 0.2466 0.2469 0.3649 0.3655 5.8093 5.8099 6.0118 6.0121 7.0406 7.0411 7.9326 7.9333 8.2117 8.2119 k =-0.1059 0.1693 0.9276 ( 17398 PWs) bands (ev): -49.5618 -49.5618 -42.6042 -42.6042 -42.6036 -42.6036 -42.0660 -42.0660 -21.6399 -21.6399 -21.4822 -21.4822 -21.4234 -21.4234 -16.7674 -16.7673 -16.7369 -16.7367 -16.7196 -16.7194 -16.7038 -16.7037 -7.1854 -7.1853 -6.8165 -6.8165 -6.5128 -6.5127 -6.4586 -6.4586 -2.4097 -2.4080 -2.2382 -2.2365 -2.1406 -2.1395 -1.5290 -1.5282 -0.5522 -0.5513 -0.1790 -0.1787 0.2341 0.2344 0.3630 0.3636 5.7559 5.7566 6.0123 6.0126 7.0633 7.0638 7.9176 7.9183 8.2576 8.2578 k =-0.1139 0.1821 0.9124 ( 17400 PWs) bands (ev): -49.5618 -49.5618 -42.6042 -42.6042 -42.6036 -42.6036 -42.0659 -42.0659 -21.6399 -21.6399 -21.4822 -21.4822 -21.4234 -21.4234 -16.7692 -16.7691 -16.7373 -16.7371 -16.7190 -16.7189 -16.7026 -16.7025 -7.1790 -7.1789 -6.8130 -6.8129 -6.5183 -6.5182 -6.4616 -6.4615 -2.4122 -2.4104 -2.2279 -2.2262 -2.1361 -2.1350 -1.5345 -1.5337 -0.5453 -0.5443 -0.1773 -0.1771 0.2203 0.2206 0.3603 0.3610 5.6996 5.7003 6.0117 6.0120 7.0872 7.0877 7.9037 7.9044 8.3079 8.3081 k =-0.1220 0.1950 0.8973 ( 17400 PWs) bands (ev): -49.5618 -49.5618 -42.6043 -42.6043 -42.6036 -42.6036 -42.0659 -42.0659 -21.6399 -21.6399 -21.4822 -21.4822 -21.4234 -21.4234 -16.7710 -16.7709 -16.7380 -16.7379 -16.7181 -16.7181 -16.7012 -16.7012 -7.1719 -7.1718 -6.8090 -6.8089 -6.5247 -6.5246 -6.4647 -6.4647 -2.4148 -2.4129 -2.2170 -2.2151 -2.1309 -2.1299 -1.5405 -1.5396 -0.5378 -0.5366 -0.1752 -0.1751 0.2055 0.2058 0.3569 0.3575 5.6430 5.6436 6.0081 6.0084 7.1114 7.1120 7.8915 7.8922 8.3617 8.3619 k =-0.1300 0.2078 0.8821 ( 17402 PWs) bands (ev): -49.5618 -49.5618 -42.6044 -42.6044 -42.6036 -42.6036 -42.0658 -42.0658 -21.6399 -21.6399 -21.4822 -21.4822 -21.4234 -21.4234 -16.7728 -16.7727 -16.7391 -16.7390 -16.7172 -16.7172 -16.6996 -16.6996 -7.1640 -7.1639 -6.8046 -6.8045 -6.5318 -6.5317 -6.4681 -6.4681 -2.4172 -2.4154 -2.2054 -2.2034 -2.1251 -2.1241 -1.5469 -1.5459 -0.5297 -0.5285 -0.1728 -0.1727 0.1896 0.1899 0.3526 0.3533 5.5871 5.5877 6.0012 6.0016 7.1351 7.1357 7.8815 7.8821 8.4179 8.4182 k =-0.1381 0.2207 0.8669 ( 17396 PWs) bands (ev): -49.5618 -49.5618 -42.6044 -42.6044 -42.6036 -42.6036 -42.0658 -42.0658 -21.6399 -21.6399 -21.4821 -21.4821 -21.4234 -21.4234 -16.7746 -16.7745 -16.7404 -16.7403 -16.7163 -16.7163 -16.6979 -16.6978 -7.1555 -7.1553 -6.7998 -6.7997 -6.5398 -6.5398 -6.4716 -6.4716 -2.4196 -2.4177 -2.1933 -2.1913 -2.1188 -2.1177 -1.5537 -1.5526 -0.5211 -0.5198 -0.1701 -0.1698 0.1728 0.1731 0.3475 0.3482 5.5324 5.5331 5.9913 5.9917 7.1573 7.1579 7.8738 7.8745 8.4760 8.4762 k =-0.1461 0.2335 0.8518 ( 17400 PWs) bands (ev): -49.5618 -49.5618 -42.6045 -42.6045 -42.6036 -42.6036 -42.0657 -42.0657 -21.6399 -21.6399 -21.4821 -21.4821 -21.4234 -21.4234 -16.7764 -16.7763 -16.7419 -16.7417 -16.7156 -16.7155 -16.6960 -16.6959 -7.1462 -7.1460 -6.7946 -6.7946 -6.5487 -6.5486 -6.4753 -6.4753 -2.4219 -2.4200 -2.1809 -2.1788 -2.1119 -2.1108 -1.5608 -1.5597 -0.5122 -0.5108 -0.1668 -0.1665 0.1551 0.1555 0.3416 0.3423 5.4794 5.4800 5.9790 5.9794 7.1769 7.1776 7.8687 7.8693 8.5350 8.5353 k =-0.1541 0.2464 0.8366 ( 17389 PWs) bands (ev): -49.5618 -49.5618 -42.6045 -42.6045 -42.6035 -42.6035 -42.0657 -42.0657 -21.6399 -21.6398 -21.4821 -21.4821 -21.4234 -21.4234 -16.7781 -16.7780 -16.7434 -16.7433 -16.7149 -16.7148 -16.6940 -16.6938 -7.1362 -7.1361 -6.7892 -6.7891 -6.5582 -6.5582 -6.4792 -6.4792 -2.4240 -2.4222 -2.1681 -2.1661 -2.1046 -2.1035 -1.5682 -1.5669 -0.5029 -0.5014 -0.1631 -0.1626 0.1367 0.1371 0.3349 0.3356 5.4281 5.4288 5.9649 5.9653 7.1933 7.1940 7.8657 7.8663 8.5943 8.5946 k =-0.1622 0.2593 0.8214 ( 17379 PWs) bands (ev): -49.5618 -49.5618 -42.6046 -42.6046 -42.6035 -42.6035 -42.0656 -42.0656 -21.6399 -21.6398 -21.4821 -21.4821 -21.4234 -21.4234 -16.7797 -16.7796 -16.7450 -16.7448 -16.7143 -16.7143 -16.6918 -16.6917 -7.1256 -7.1255 -6.7834 -6.7834 -6.5685 -6.5684 -6.4832 -6.4832 -2.4260 -2.4242 -2.1552 -2.1532 -2.0969 -2.0959 -1.5757 -1.5744 -0.4934 -0.4918 -0.1588 -0.1582 0.1177 0.1181 0.3274 0.3281 5.3787 5.3794 5.9496 5.9501 7.2059 7.2066 7.8643 7.8648 8.6529 8.6533 k =-0.1702 0.2721 0.8063 ( 17381 PWs) bands (ev): -49.5618 -49.5618 -42.6047 -42.6047 -42.6035 -42.6035 -42.0656 -42.0656 -21.6398 -21.6398 -21.4820 -21.4820 -21.4234 -21.4234 -16.7813 -16.7812 -16.7467 -16.7465 -16.7138 -16.7138 -16.6897 -16.6895 -7.1145 -7.1143 -6.7775 -6.7774 -6.5795 -6.5794 -6.4873 -6.4873 -2.4278 -2.4260 -2.1422 -2.1402 -2.0889 -2.0879 -1.5833 -1.5820 -0.4837 -0.4821 -0.1539 -0.1531 0.0982 0.0987 0.3193 0.3200 5.3314 5.3320 5.9337 5.9342 7.2146 7.2153 7.8636 7.8642 8.7099 8.7104 k =-0.1783 0.2850 0.7911 ( 17393 PWs) bands (ev): -49.5618 -49.5618 -42.6047 -42.6047 -42.6035 -42.6035 -42.0655 -42.0655 -21.6398 -21.6398 -21.4820 -21.4820 -21.4234 -21.4234 -16.7827 -16.7826 -16.7483 -16.7481 -16.7135 -16.7134 -16.6875 -16.6873 -7.1027 -7.1026 -6.7713 -6.7713 -6.5911 -6.5910 -6.4916 -6.4916 -2.4294 -2.4277 -2.1292 -2.1272 -2.0807 -2.0797 -1.5910 -1.5897 -0.4740 -0.4723 -0.1484 -0.1475 0.0784 0.0789 0.3105 0.3112 5.2862 5.2868 5.9177 5.9182 7.2196 7.2203 7.8628 7.8633 8.7643 8.7648 k =-0.1863 0.2978 0.7759 ( 17391 PWs) bands (ev): -49.5618 -49.5618 -42.6048 -42.6048 -42.6035 -42.6035 -42.0655 -42.0655 -21.6398 -21.6398 -21.4820 -21.4820 -21.4235 -21.4234 -16.7841 -16.7839 -16.7499 -16.7497 -16.7132 -16.7132 -16.6854 -16.6851 -7.0905 -7.0903 -6.7651 -6.7650 -6.6032 -6.6030 -6.4960 -6.4960 -2.4309 -2.4292 -2.1163 -2.1144 -2.0723 -2.0714 -1.5986 -1.5973 -0.4643 -0.4625 -0.1424 -0.1413 0.0583 0.0589 0.3011 0.3018 5.2431 5.2437 5.9020 5.9025 7.2214 7.2221 7.8606 7.8612 8.8146 8.8151 k =-0.1944 0.3107 0.7608 ( 17405 PWs) bands (ev): -49.5618 -49.5618 -42.6048 -42.6048 -42.6035 -42.6035 -42.0654 -42.0654 -21.6398 -21.6398 -21.4820 -21.4820 -21.4235 -21.4234 -16.7853 -16.7852 -16.7515 -16.7513 -16.7130 -16.7129 -16.6833 -16.6830 -7.0778 -7.0776 -6.7588 -6.7587 -6.6157 -6.6155 -6.5005 -6.5005 -2.4321 -2.4305 -2.1036 -2.1018 -2.0639 -2.0630 -1.6062 -1.6048 -0.4547 -0.4528 -0.1359 -0.1346 0.0383 0.0390 0.2911 0.2918 5.2024 5.2030 5.8870 5.8874 7.2206 7.2213 7.8564 7.8569 8.8593 8.8599 k =-0.2024 0.3235 0.7456 ( 17412 PWs) bands (ev): -49.5618 -49.5618 -42.6049 -42.6049 -42.6035 -42.6035 -42.0654 -42.0654 -21.6398 -21.6398 -21.4820 -21.4820 -21.4235 -21.4234 -16.7864 -16.7863 -16.7531 -16.7528 -16.7128 -16.7128 -16.6813 -16.6810 -7.0646 -7.0644 -6.7526 -6.7525 -6.6285 -6.6283 -6.5051 -6.5050 -2.4332 -2.4317 -2.0913 -2.0896 -2.0556 -2.0547 -1.6134 -1.6120 -0.4453 -0.4434 -0.1290 -0.1276 0.0187 0.0195 0.2807 0.2814 5.1639 5.1645 5.8729 5.8733 7.2178 7.2186 7.8494 7.8500 8.8974 8.8979 k =-0.2104 0.3364 0.7304 ( 17409 PWs) bands (ev): -49.5618 -49.5618 -42.6049 -42.6049 -42.6035 -42.6035 -42.0653 -42.0653 -21.6398 -21.6397 -21.4819 -21.4819 -21.4235 -21.4234 -16.7874 -16.7873 -16.7546 -16.7544 -16.7127 -16.7126 -16.6794 -16.6791 -7.0511 -7.0509 -6.7467 -6.7466 -6.6415 -6.6412 -6.5097 -6.5096 -2.4342 -2.4327 -2.0795 -2.0779 -2.0474 -2.0466 -1.6204 -1.6190 -0.4362 -0.4343 -0.1220 -0.1204 -0.0001 0.0009 0.2699 0.2705 5.1280 5.1285 5.8599 5.8603 7.2138 7.2146 7.8394 7.8400 8.9289 8.9293 k =-0.2185 0.3493 0.7153 ( 17409 PWs) bands (ev): -49.5618 -49.5618 -42.6050 -42.6050 -42.6035 -42.6035 -42.0653 -42.0653 -21.6398 -21.6397 -21.4819 -21.4819 -21.4235 -21.4234 -16.7883 -16.7881 -16.7561 -16.7558 -16.7126 -16.7126 -16.6776 -16.6772 -7.0373 -7.0371 -6.7414 -6.7413 -6.6542 -6.6540 -6.5143 -6.5142 -2.4349 -2.4336 -2.0683 -2.0667 -2.0395 -2.0388 -1.6269 -1.6255 -0.4276 -0.4256 -0.1156 -0.1138 -0.0172 -0.0160 0.2587 0.2593 5.0945 5.0950 5.8482 5.8487 7.2092 7.2100 7.8265 7.8271 8.9550 8.9553 k =-0.2265 0.3621 0.7001 ( 17403 PWs) bands (ev): -49.5618 -49.5618 -42.6050 -42.6050 -42.6035 -42.6035 -42.0652 -42.0652 -21.6397 -21.6397 -21.4819 -21.4819 -21.4235 -21.4234 -16.7891 -16.7889 -16.7576 -16.7573 -16.7126 -16.7125 -16.6759 -16.6755 -7.0233 -7.0231 -6.7371 -6.7370 -6.6663 -6.6660 -6.5189 -6.5188 -2.4355 -2.4343 -2.0577 -2.0563 -2.0321 -2.0314 -1.6328 -1.6314 -0.4197 -0.4176 -0.1107 -0.1087 -0.0313 -0.0300 0.2474 0.2479 5.0636 5.0641 5.8380 5.8385 7.2046 7.2053 7.8108 7.8115 8.9773 8.9777 k =-0.2346 0.3750 0.6849 ( 17399 PWs) bands (ev): -49.5618 -49.5618 -42.6051 -42.6051 -42.6035 -42.6035 -42.0652 -42.0652 -21.6397 -21.6397 -21.4819 -21.4819 -21.4235 -21.4235 -16.7897 -16.7895 -16.7589 -16.7586 -16.7125 -16.7125 -16.6743 -16.6740 -7.0092 -7.0090 -6.7347 -6.7346 -6.6768 -6.6765 -6.5233 -6.5233 -2.4360 -2.4348 -2.0480 -2.0466 -2.0253 -2.0246 -1.6381 -1.6367 -0.4126 -0.4105 -0.1092 -0.1073 -0.0402 -0.0389 0.2358 0.2363 5.0353 5.0358 5.8294 5.8298 7.2004 7.2012 7.7928 7.7935 8.9974 8.9976 k =-0.2426 0.3878 0.6698 ( 17407 PWs) bands (ev): -49.5618 -49.5618 -42.6051 -42.6051 -42.6035 -42.6035 -42.0651 -42.0651 -21.6397 -21.6397 -21.4819 -21.4819 -21.4235 -21.4235 -16.7902 -16.7899 -16.7602 -16.7599 -16.7126 -16.7125 -16.6729 -16.6726 -6.9951 -6.9949 -6.7358 -6.7356 -6.6843 -6.6839 -6.5276 -6.5275 -2.4363 -2.4353 -2.0391 -2.0378 -2.0192 -2.0185 -1.6425 -1.6411 -0.4066 -0.4045 -0.1125 -0.1110 -0.0421 -0.0411 0.2243 0.2247 5.0098 5.0103 5.8223 5.8228 7.1972 7.1980 7.7730 7.7738 9.0159 9.0161 k =-0.2507 0.4007 0.6546 ( 17401 PWs) bands (ev): -49.5618 -49.5618 -42.6052 -42.6052 -42.6035 -42.6035 -42.0651 -42.0651 -21.6397 -21.6397 -21.4819 -21.4819 -21.4235 -21.4235 -16.7905 -16.7903 -16.7615 -16.7611 -16.7126 -16.7125 -16.6717 -16.6713 -6.9812 -6.9809 -6.7411 -6.7409 -6.6877 -6.6873 -6.5316 -6.5315 -2.4365 -2.4356 -2.0311 -2.0299 -2.0140 -2.0134 -1.6460 -1.6446 -0.4020 -0.3998 -0.1197 -0.1187 -0.0378 -0.0372 0.2129 0.2132 4.9871 4.9875 5.8170 5.8174 7.1953 7.1961 7.7518 7.7526 9.0335 9.0337 k =-0.2587 0.4135 0.6395 ( 17409 PWs) bands (ev): -49.5618 -49.5618 -42.6052 -42.6052 -42.6035 -42.6035 -42.0651 -42.0651 -21.6397 -21.6397 -21.4818 -21.4818 -21.4235 -21.4235 -16.7907 -16.7905 -16.7626 -16.7623 -16.7126 -16.7126 -16.6706 -16.6702 -6.9676 -6.9673 -6.7501 -6.7499 -6.6877 -6.6873 -6.5352 -6.5351 -2.4366 -2.4357 -2.0242 -2.0231 -2.0099 -2.0094 -1.6485 -1.6471 -0.3991 -0.3968 -0.1283 -0.1276 -0.0300 -0.0294 0.2017 0.2019 4.9672 4.9677 5.8132 5.8136 7.1950 7.1958 7.7297 7.7306 9.0505 9.0507 k =-0.2667 0.4264 0.6243 ( 17411 PWs) bands (ev): -49.5618 -49.5618 -42.6052 -42.6052 -42.6035 -42.6035 -42.0651 -42.0651 -21.6397 -21.6397 -21.4818 -21.4818 -21.4235 -21.4235 -16.7908 -16.7905 -16.7637 -16.7634 -16.7127 -16.7126 -16.6696 -16.6692 -6.9547 -6.9544 -6.7608 -6.7607 -6.6858 -6.6855 -6.5383 -6.5382 -2.4365 -2.4358 -2.0183 -2.0172 -2.0070 -2.0065 -1.6499 -1.6485 -0.3981 -0.3958 -0.1361 -0.1354 -0.0205 -0.0196 0.1909 0.1911 4.9503 4.9507 5.8111 5.8115 7.1966 7.1974 7.7072 7.7081 9.0673 9.0675 k =-0.2748 0.4393 0.6091 ( 17410 PWs) bands (ev): -49.5618 -49.5618 -42.6052 -42.6052 -42.6035 -42.6035 -42.0650 -42.0650 -21.6397 -21.6397 -21.4818 -21.4818 -21.4235 -21.4235 -16.7907 -16.7904 -16.7647 -16.7644 -16.7128 -16.7127 -16.6688 -16.6684 -6.9429 -6.9426 -6.7720 -6.7718 -6.6834 -6.6830 -6.5407 -6.5406 -2.4364 -2.4357 -2.0136 -2.0125 -2.0053 -2.0049 -1.6501 -1.6488 -0.3993 -0.3970 -0.1421 -0.1413 -0.0102 -0.0090 0.1809 0.1813 4.9364 4.9368 5.8106 5.8110 7.2004 7.2012 7.6845 7.6855 9.0840 9.0842 k =-0.2828 0.4521 0.5940 ( 17417 PWs) bands (ev): -49.5618 -49.5618 -42.6052 -42.6052 -42.6035 -42.6035 -42.0650 -42.0650 -21.6397 -21.6397 -21.4818 -21.4818 -21.4235 -21.4235 -16.7905 -16.7902 -16.7656 -16.7653 -16.7128 -16.7128 -16.6682 -16.6678 -6.9328 -6.9325 -6.7822 -6.7821 -6.6810 -6.6806 -6.5424 -6.5423 -2.4361 -2.4355 -2.0105 -2.0095 -2.0045 -2.0041 -1.6492 -1.6479 -0.4028 -0.4005 -0.1454 -0.1445 0.0000 0.0015 0.1718 0.1725 4.9256 4.9260 5.8116 5.8120 7.2066 7.2074 7.6620 7.6631 9.1007 9.1010 k =-0.2909 0.4650 0.5788 ( 17419 PWs) bands (ev): -49.5618 -49.5618 -42.6053 -42.6053 -42.6035 -42.6035 -42.0650 -42.0650 -21.6397 -21.6397 -21.4818 -21.4818 -21.4235 -21.4235 -16.7902 -16.7898 -16.7664 -16.7661 -16.7129 -16.7129 -16.6677 -16.6673 -6.9253 -6.9250 -6.7905 -6.7904 -6.6791 -6.6787 -6.5433 -6.5432 -2.4357 -2.4353 -2.0099 -2.0093 -2.0035 -2.0032 -1.6472 -1.6460 -0.4084 -0.4061 -0.1460 -0.1450 0.0095 0.0113 0.1644 0.1655 4.9179 4.9182 5.8142 5.8146 7.2152 7.2160 7.6399 7.6410 9.1175 9.1180 k =-0.2989 0.4778 0.5636 ( 17420 PWs) bands (ev): -49.5618 -49.5618 -42.6053 -42.6053 -42.6035 -42.6035 -42.0650 -42.0650 -21.6397 -21.6397 -21.4818 -21.4818 -21.4235 -21.4235 -16.7897 -16.7893 -16.7671 -16.7668 -16.7130 -16.7130 -16.6674 -16.6670 -6.9214 -6.9211 -6.7956 -6.7955 -6.6778 -6.6775 -6.5432 -6.5431 -2.4352 -2.4349 -2.0121 -2.0116 -2.0023 -2.0019 -1.6442 -1.6430 -0.4159 -0.4137 -0.1440 -0.1429 0.0175 0.0196 0.1591 0.1606 4.9133 4.9137 5.8182 5.8185 7.2264 7.2272 7.6183 7.6195 9.1345 9.1350 k =-0.2989 0.4778 0.5636 ( 17420 PWs) bands (ev): -49.5618 -49.5618 -42.6053 -42.6053 -42.6035 -42.6035 -42.0650 -42.0650 -21.6397 -21.6397 -21.4818 -21.4818 -21.4235 -21.4235 -16.7897 -16.7893 -16.7671 -16.7668 -16.7130 -16.7130 -16.6674 -16.6670 -6.9214 -6.9211 -6.7956 -6.7955 -6.6778 -6.6775 -6.5432 -6.5431 -2.4352 -2.4349 -2.0121 -2.0116 -2.0023 -2.0019 -1.6442 -1.6430 -0.4159 -0.4137 -0.1440 -0.1429 0.0175 0.0196 0.1591 0.1606 4.9133 4.9137 5.8182 5.8185 7.2264 7.2272 7.6183 7.6195 9.1345 9.1350 k =-0.2911 0.4653 0.5488 ( 17418 PWs) bands (ev): -49.5618 -49.5618 -42.6052 -42.6052 -42.6035 -42.6035 -42.0650 -42.0650 -21.6397 -21.6397 -21.4818 -21.4818 -21.4235 -21.4235 -16.7895 -16.7892 -16.7633 -16.7630 -16.7151 -16.7151 -16.6691 -16.6687 -6.9138 -6.9136 -6.7956 -6.7955 -6.6862 -6.6859 -6.5446 -6.5445 -2.4363 -2.4360 -2.0161 -2.0158 -2.0043 -2.0039 -1.6378 -1.6366 -0.4181 -0.4159 -0.1333 -0.1321 0.0065 0.0086 0.1549 0.1563 4.9292 4.9295 5.8150 5.8154 7.2522 7.2530 7.6550 7.6562 9.1337 9.1343 k =-0.2832 0.4527 0.5340 ( 17418 PWs) bands (ev): -49.5618 -49.5618 -42.6051 -42.6051 -42.6036 -42.6036 -42.0651 -42.0651 -21.6397 -21.6397 -21.4818 -21.4818 -21.4235 -21.4235 -16.7900 -16.7898 -16.7595 -16.7592 -16.7165 -16.7164 -16.6708 -16.6704 -6.9069 -6.9067 -6.7956 -6.7955 -6.6936 -6.6934 -6.5458 -6.5457 -2.4377 -2.4375 -2.0196 -2.0194 -2.0057 -2.0053 -1.6316 -1.6306 -0.4211 -0.4189 -0.1222 -0.1210 -0.0035 -0.0016 0.1511 0.1523 4.9356 4.9358 5.8216 5.8220 7.2750 7.2758 7.6872 7.6883 9.1286 9.1293 k =-0.2753 0.4401 0.5191 ( 17421 PWs) bands (ev): -49.5618 -49.5618 -42.6050 -42.6050 -42.6037 -42.6037 -42.0651 -42.0651 -21.6397 -21.6397 -21.4818 -21.4818 -21.4235 -21.4235 -16.7915 -16.7912 -16.7558 -16.7554 -16.7170 -16.7170 -16.6724 -16.6721 -6.9009 -6.9007 -6.7958 -6.7957 -6.7000 -6.6997 -6.5467 -6.5467 -2.4394 -2.4392 -2.0225 -2.0224 -2.0067 -2.0062 -1.6258 -1.6249 -0.4249 -0.4228 -0.1107 -0.1096 -0.0127 -0.0109 0.1478 0.1488 4.9318 4.9320 5.8387 5.8390 7.2941 7.2949 7.7146 7.7157 9.1192 9.1200 k =-0.2675 0.4275 0.5043 ( 17417 PWs) bands (ev): -49.5618 -49.5618 -42.6049 -42.6049 -42.6037 -42.6037 -42.0651 -42.0651 -21.6397 -21.6397 -21.4819 -21.4819 -21.4235 -21.4235 -16.7937 -16.7935 -16.7520 -16.7517 -16.7168 -16.7168 -16.6740 -16.6736 -6.8961 -6.8959 -6.7962 -6.7961 -6.7049 -6.7047 -6.5475 -6.5475 -2.4414 -2.4411 -2.0248 -2.0247 -2.0072 -2.0067 -1.6204 -1.6195 -0.4294 -0.4274 -0.0989 -0.0978 -0.0208 -0.0192 0.1450 0.1458 4.9180 4.9181 5.8662 5.8665 7.3089 7.3096 7.7372 7.7383 9.1053 9.1061 k =-0.2596 0.4150 0.4895 ( 17431 PWs) bands (ev): -49.5618 -49.5618 -42.6049 -42.6049 -42.6038 -42.6038 -42.0651 -42.0651 -21.6397 -21.6397 -21.4819 -21.4819 -21.4235 -21.4235 -16.7967 -16.7965 -16.7483 -16.7480 -16.7159 -16.7159 -16.6755 -16.6752 -6.8926 -6.8925 -6.7968 -6.7967 -6.7081 -6.7080 -6.5480 -6.5480 -2.4436 -2.4433 -2.0264 -2.0262 -2.0072 -2.0067 -1.6154 -1.6145 -0.4347 -0.4327 -0.0868 -0.0856 -0.0279 -0.0265 0.1426 0.1432 4.8949 4.8950 5.9034 5.9037 7.3184 7.3191 7.7553 7.7562 9.0869 9.0878 k =-0.2517 0.4024 0.4746 ( 17415 PWs) bands (ev): -49.5618 -49.5618 -42.6048 -42.6048 -42.6038 -42.6038 -42.0651 -42.0651 -21.6397 -21.6397 -21.4819 -21.4819 -21.4235 -21.4235 -16.8003 -16.8002 -16.7448 -16.7445 -16.7143 -16.7143 -16.6768 -16.6766 -6.8907 -6.8907 -6.7975 -6.7974 -6.7095 -6.7095 -6.5483 -6.5482 -2.4461 -2.4458 -2.0274 -2.0271 -2.0067 -2.0062 -1.6107 -1.6100 -0.4408 -0.4388 -0.0744 -0.0732 -0.0340 -0.0327 0.1407 0.1411 4.8639 4.8639 5.9491 5.9493 7.3221 7.3228 7.7692 7.7701 9.0643 9.0652 k =-0.2439 0.3898 0.4598 ( 17423 PWs) bands (ev): -49.5618 -49.5618 -42.6048 -42.6048 -42.6038 -42.6038 -42.0651 -42.0651 -21.6397 -21.6397 -21.4819 -21.4819 -21.4235 -21.4234 -16.8045 -16.8044 -16.7413 -16.7411 -16.7123 -16.7122 -16.6780 -16.6778 -6.8906 -6.8905 -6.7983 -6.7982 -6.7090 -6.7090 -6.5483 -6.5483 -2.4488 -2.4484 -2.0277 -2.0273 -2.0058 -2.0052 -1.6066 -1.6059 -0.4475 -0.4455 -0.0617 -0.0606 -0.0389 -0.0378 0.1393 0.1395 4.8262 4.8262 6.0020 6.0022 7.3191 7.3198 7.7795 7.7803 9.0377 9.0386 k =-0.2360 0.3772 0.4450 ( 17433 PWs) bands (ev): -49.5618 -49.5618 -42.6049 -42.6049 -42.6038 -42.6038 -42.0651 -42.0651 -21.6397 -21.6397 -21.4819 -21.4819 -21.4235 -21.4234 -16.8091 -16.8090 -16.7381 -16.7379 -16.7098 -16.7098 -16.6791 -16.6789 -6.8922 -6.8921 -6.7992 -6.7990 -6.7067 -6.7066 -6.5481 -6.5480 -2.4518 -2.4513 -2.0274 -2.0268 -2.0044 -2.0038 -1.6029 -1.6023 -0.4548 -0.4529 -0.0489 -0.0484 -0.0422 -0.0418 0.1383 0.1385 4.7832 4.7832 6.0610 6.0612 7.3090 7.3097 7.7868 7.7875 9.0076 9.0086 k =-0.2281 0.3647 0.4301 ( 17431 PWs) bands (ev): -49.5618 -49.5618 -42.6049 -42.6049 -42.6037 -42.6037 -42.0651 -42.0651 -21.6397 -21.6397 -21.4818 -21.4818 -21.4235 -21.4234 -16.8140 -16.8140 -16.7351 -16.7350 -16.7070 -16.7070 -16.6798 -16.6797 -6.8954 -6.8953 -6.8001 -6.8000 -6.7026 -6.7025 -6.5477 -6.5476 -2.4549 -2.4543 -2.0265 -2.0258 -2.0025 -2.0019 -1.5997 -1.5993 -0.4626 -0.4608 -0.0468 -0.0451 -0.0353 -0.0336 0.1377 0.1381 4.7359 4.7359 6.1248 6.1250 7.2914 7.2921 7.7917 7.7924 8.9746 8.9755 k =-0.2203 0.3521 0.4153 ( 17431 PWs) bands (ev): -49.5618 -49.5618 -42.6050 -42.6050 -42.6037 -42.6037 -42.0651 -42.0651 -21.6397 -21.6397 -21.4818 -21.4818 -21.4235 -21.4234 -16.8192 -16.8191 -16.7324 -16.7323 -16.7040 -16.7040 -16.6803 -16.6803 -6.9000 -6.8998 -6.8010 -6.8009 -6.6970 -6.6969 -6.5470 -6.5469 -2.4582 -2.4575 -2.0249 -2.0241 -2.0002 -1.9995 -1.5971 -1.5967 -0.4710 -0.4691 -0.0487 -0.0471 -0.0219 -0.0204 0.1376 0.1383 4.6853 4.6854 6.1927 6.1929 7.2664 7.2671 7.7946 7.7954 8.9391 8.9400 k =-0.2124 0.3395 0.4005 ( 17429 PWs) bands (ev): -49.5618 -49.5618 -42.6051 -42.6051 -42.6036 -42.6036 -42.0651 -42.0651 -21.6397 -21.6397 -21.4818 -21.4818 -21.4235 -21.4234 -16.8245 -16.8245 -16.7301 -16.7300 -16.7009 -16.7008 -16.6805 -16.6805 -6.9057 -6.9055 -6.8020 -6.8018 -6.6902 -6.6900 -6.5461 -6.5460 -2.4616 -2.4609 -2.0229 -2.0220 -1.9973 -1.9966 -1.5950 -1.5947 -0.4798 -0.4779 -0.0500 -0.0482 -0.0083 -0.0068 0.1381 0.1390 4.6323 4.6324 6.2637 6.2638 7.2344 7.2350 7.7958 7.7966 8.9018 8.9027 k =-0.2045 0.3269 0.3856 ( 17419 PWs) bands (ev): -49.5618 -49.5618 -42.6052 -42.6052 -42.6035 -42.6035 -42.0650 -42.0650 -21.6397 -21.6396 -21.4818 -21.4818 -21.4235 -21.4234 -16.8299 -16.8299 -16.7282 -16.7281 -16.6976 -16.6975 -16.6803 -16.6802 -6.9123 -6.9121 -6.8030 -6.8028 -6.6823 -6.6821 -6.5450 -6.5448 -2.4651 -2.4644 -2.0203 -2.0193 -1.9940 -1.9932 -1.5935 -1.5933 -0.4889 -0.4870 -0.0504 -0.0485 0.0055 0.0070 0.1391 0.1403 4.5775 4.5776 6.3372 6.3373 7.1960 7.1966 7.7954 7.7962 8.8631 8.8640 k =-0.1967 0.3144 0.3708 ( 17419 PWs) bands (ev): -49.5618 -49.5618 -42.6053 -42.6053 -42.6034 -42.6034 -42.0650 -42.0650 -21.6397 -21.6396 -21.4818 -21.4818 -21.4235 -21.4234 -16.8354 -16.8354 -16.7268 -16.7266 -16.6943 -16.6941 -16.6798 -16.6796 -6.9196 -6.9193 -6.8040 -6.8038 -6.6737 -6.6735 -6.5437 -6.5435 -2.4687 -2.4679 -2.0172 -2.0161 -1.9902 -1.9894 -1.5926 -1.5925 -0.4983 -0.4964 -0.0501 -0.0480 0.0194 0.0209 0.1407 0.1421 4.5214 4.5215 6.4125 6.4125 7.1520 7.1526 7.7931 7.7940 8.8237 8.8245 k =-0.1888 0.3018 0.3560 ( 17421 PWs) bands (ev): -49.5618 -49.5618 -42.6054 -42.6054 -42.6034 -42.6034 -42.0650 -42.0650 -21.6397 -21.6396 -21.4818 -21.4818 -21.4235 -21.4234 -16.8409 -16.8409 -16.7258 -16.7256 -16.6909 -16.6907 -16.6788 -16.6786 -6.9272 -6.9270 -6.8050 -6.8048 -6.6645 -6.6643 -6.5422 -6.5420 -2.4723 -2.4715 -2.0136 -2.0124 -1.9860 -1.9852 -1.5923 -1.5922 -0.5079 -0.5060 -0.0492 -0.0468 0.0334 0.0349 0.1429 0.1446 4.4645 4.4647 6.4888 6.4889 7.1036 7.1041 7.7889 7.7899 8.7840 8.7848 k =-0.1809 0.2892 0.3411 ( 17433 PWs) bands (ev): -49.5618 -49.5618 -42.6055 -42.6055 -42.6033 -42.6033 -42.0649 -42.0649 -21.6396 -21.6396 -21.4818 -21.4817 -21.4235 -21.4235 -16.8464 -16.8463 -16.7253 -16.7250 -16.6875 -16.6873 -16.6774 -16.6772 -6.9352 -6.9349 -6.8061 -6.8059 -6.6549 -6.6547 -6.5405 -6.5404 -2.4760 -2.4752 -2.0096 -2.0083 -1.9814 -1.9806 -1.5926 -1.5925 -0.5176 -0.5158 -0.0477 -0.0451 0.0475 0.0489 0.1458 0.1477 4.4073 4.4074 6.5653 6.5654 7.0520 7.0525 7.7827 7.7838 8.7446 8.7454 k =-0.1731 0.2766 0.3263 ( 17443 PWs) bands (ev): -49.5618 -49.5618 -42.6056 -42.6056 -42.6032 -42.6032 -42.0649 -42.0649 -21.6396 -21.6396 -21.4817 -21.4817 -21.4235 -21.4235 -16.8518 -16.8517 -16.7251 -16.7248 -16.6841 -16.6839 -16.6757 -16.6754 -6.9433 -6.9430 -6.8071 -6.8070 -6.6451 -6.6448 -6.5387 -6.5386 -2.4797 -2.4788 -2.0051 -2.0039 -1.9765 -1.9756 -1.5936 -1.5934 -0.5274 -0.5256 -0.0458 -0.0430 0.0616 0.0630 0.1493 0.1514 4.3500 4.3502 6.6406 6.6408 6.9990 6.9995 7.7744 7.7755 8.7059 8.7067 k =-0.1652 0.2641 0.3115 ( 17463 PWs) bands (ev): -49.5618 -49.5618 -42.6058 -42.6058 -42.6032 -42.6032 -42.0648 -42.0648 -21.6396 -21.6396 -21.4817 -21.4817 -21.4235 -21.4235 -16.8571 -16.8571 -16.7253 -16.7249 -16.6807 -16.6805 -16.6738 -16.6734 -6.9515 -6.9512 -6.8082 -6.8081 -6.6351 -6.6348 -6.5368 -6.5366 -2.4834 -2.4825 -2.0003 -1.9990 -1.9712 -1.9703 -1.5952 -1.5949 -0.5372 -0.5354 -0.0436 -0.0406 0.0756 0.0770 0.1535 0.1558 4.2931 4.2932 6.7113 6.7118 6.9482 6.9487 7.7639 7.7650 8.6686 8.6693 k =-0.1573 0.2515 0.2966 ( 17455 PWs) bands (ev): -49.5618 -49.5618 -42.6059 -42.6059 -42.6031 -42.6031 -42.0648 -42.0648 -21.6396 -21.6395 -21.4817 -21.4817 -21.4235 -21.4235 -16.8623 -16.8623 -16.7257 -16.7253 -16.6774 -16.6772 -16.6716 -16.6712 -6.9596 -6.9593 -6.8094 -6.8092 -6.6251 -6.6248 -6.5348 -6.5346 -2.4870 -2.4861 -1.9951 -1.9937 -1.9656 -1.9647 -1.5973 -1.5970 -0.5469 -0.5451 -0.0411 -0.0380 0.0896 0.0910 0.1585 0.1609 4.2367 4.2368 6.7649 6.7658 6.9123 6.9130 7.7512 7.7523 8.6332 8.6338 k =-0.1495 0.2389 0.2818 ( 17459 PWs) bands (ev): -49.5618 -49.5618 -42.6060 -42.6060 -42.6030 -42.6030 -42.0647 -42.0647 -21.6396 -21.6395 -21.4817 -21.4817 -21.4235 -21.4235 -16.8674 -16.8674 -16.7264 -16.7259 -16.6742 -16.6739 -16.6693 -16.6689 -6.9676 -6.9673 -6.8105 -6.8103 -6.6151 -6.6148 -6.5327 -6.5325 -2.4905 -2.4896 -1.9895 -1.9881 -1.9598 -1.9589 -1.6000 -1.5996 -0.5566 -0.5548 -0.0386 -0.0354 0.1035 0.1049 0.1641 0.1665 4.1811 4.1813 6.7664 6.7673 6.9268 6.9275 7.7366 7.7377 8.6003 8.6008 k =-0.1416 0.2263 0.2670 ( 17467 PWs) bands (ev): -49.5618 -49.5618 -42.6061 -42.6061 -42.6029 -42.6029 -42.0647 -42.0647 -21.6396 -21.6395 -21.4816 -21.4816 -21.4235 -21.4235 -16.8723 -16.8723 -16.7271 -16.7267 -16.6710 -16.6708 -16.6669 -16.6665 -6.9753 -6.9751 -6.8116 -6.8114 -6.6053 -6.6050 -6.5305 -6.5303 -2.4940 -2.4931 -1.9836 -1.9822 -1.9538 -1.9529 -1.6033 -1.6028 -0.5660 -0.5642 -0.0360 -0.0327 0.1173 0.1186 0.1703 0.1728 4.1266 4.1268 6.7242 6.7249 6.9831 6.9836 7.7202 7.7213 8.5706 8.5711 k =-0.1337 0.2138 0.2521 ( 17455 PWs) bands (ev): -49.5618 -49.5618 -42.6062 -42.6062 -42.6029 -42.6029 -42.0646 -42.0646 -21.6395 -21.6395 -21.4816 -21.4816 -21.4235 -21.4235 -16.8771 -16.8771 -16.7280 -16.7276 -16.6680 -16.6677 -16.6645 -16.6641 -6.9829 -6.9826 -6.8127 -6.8125 -6.5956 -6.5954 -6.5283 -6.5282 -2.4973 -2.4965 -1.9773 -1.9759 -1.9476 -1.9468 -1.6071 -1.6066 -0.5752 -0.5735 -0.0334 -0.0302 0.1309 0.1322 0.1772 0.1797 4.0735 4.0737 6.6704 6.6710 7.0486 7.0489 7.7023 7.7034 8.5449 8.5454 k =-0.1259 0.2012 0.2373 ( 17451 PWs) bands (ev): -49.5618 -49.5618 -42.6063 -42.6063 -42.6028 -42.6028 -42.0646 -42.0646 -21.6395 -21.6395 -21.4816 -21.4816 -21.4235 -21.4235 -16.8816 -16.8816 -16.7290 -16.7286 -16.6650 -16.6648 -16.6621 -16.6617 -6.9901 -6.9899 -6.8138 -6.8136 -6.5863 -6.5860 -6.5261 -6.5260 -2.5006 -2.4997 -1.9708 -1.9694 -1.9415 -1.9406 -1.6114 -1.6108 -0.5842 -0.5825 -0.0310 -0.0277 0.1442 0.1455 0.1846 0.1870 4.0220 4.0222 6.6142 6.6147 7.1137 7.1140 7.6832 7.6843 8.5239 8.5244 k =-0.1180 0.1886 0.2225 ( 17437 PWs) bands (ev): -49.5618 -49.5618 -42.6064 -42.6064 -42.6028 -42.6028 -42.0645 -42.0645 -21.6395 -21.6395 -21.4815 -21.4815 -21.4236 -21.4235 -16.8860 -16.8860 -16.7300 -16.7296 -16.6622 -16.6619 -16.6597 -16.6594 -6.9971 -6.9969 -6.8148 -6.8147 -6.5772 -6.5769 -6.5239 -6.5238 -2.5037 -2.5029 -1.9640 -1.9625 -1.9353 -1.9345 -1.6162 -1.6155 -0.5929 -0.5913 -0.0287 -0.0255 0.1574 0.1585 0.1924 0.1947 3.9722 3.9724 6.5582 6.5586 7.1755 7.1758 7.6633 7.6643 8.5085 8.5090 k =-0.1101 0.1760 0.2077 ( 17421 PWs) bands (ev): -49.5618 -49.5618 -42.6065 -42.6065 -42.6027 -42.6027 -42.0645 -42.0645 -21.6395 -21.6394 -21.4815 -21.4815 -21.4236 -21.4235 -16.8902 -16.8902 -16.7310 -16.7306 -16.6595 -16.6592 -16.6574 -16.6571 -7.0037 -7.0035 -6.8159 -6.8157 -6.5685 -6.5682 -6.5218 -6.5216 -2.5067 -2.5059 -1.9569 -1.9555 -1.9292 -1.9284 -1.6213 -1.6207 -0.6012 -0.5996 -0.0266 -0.0236 0.1702 0.1713 0.2005 0.2026 3.9245 3.9246 6.5034 6.5037 7.2323 7.2326 7.6430 7.6439 8.4993 8.4997 k =-0.1023 0.1635 0.1928 ( 17421 PWs) bands (ev): -49.5618 -49.5618 -42.6066 -42.6066 -42.6027 -42.6027 -42.0644 -42.0644 -21.6395 -21.6394 -21.4815 -21.4815 -21.4236 -21.4235 -16.8941 -16.8941 -16.7320 -16.7317 -16.6569 -16.6567 -16.6552 -16.6549 -7.0100 -7.0097 -6.8168 -6.8167 -6.5602 -6.5600 -6.5197 -6.5195 -2.5095 -2.5087 -1.9497 -1.9483 -1.9231 -1.9224 -1.6269 -1.6262 -0.6091 -0.6076 -0.0248 -0.0218 0.1826 0.1837 0.2088 0.2107 3.8789 3.8791 6.4506 6.4509 7.2830 7.2833 7.6225 7.6234 8.4967 8.4972 k =-0.0944 0.1509 0.1780 ( 17421 PWs) bands (ev): -49.5618 -49.5618 -42.6067 -42.6067 -42.6026 -42.6026 -42.0644 -42.0644 -21.6394 -21.6394 -21.4815 -21.4815 -21.4236 -21.4235 -16.8978 -16.8978 -16.7330 -16.7327 -16.6545 -16.6542 -16.6531 -16.6528 -7.0158 -7.0156 -6.8178 -6.8176 -6.5524 -6.5521 -6.5176 -6.5175 -2.5121 -2.5114 -1.9423 -1.9410 -1.9173 -1.9166 -1.6327 -1.6320 -0.6166 -0.6152 -0.0231 -0.0203 0.1947 0.1957 0.2170 0.2188 3.8358 3.8359 6.4002 6.4005 7.3268 7.3271 7.6022 7.6030 8.5009 8.5014 k =-0.0865 0.1383 0.1632 ( 17417 PWs) bands (ev): -49.5618 -49.5618 -42.6068 -42.6068 -42.6026 -42.6026 -42.0643 -42.0643 -21.6394 -21.6394 -21.4814 -21.4814 -21.4236 -21.4235 -16.9012 -16.9012 -16.7340 -16.7336 -16.6522 -16.6520 -16.6511 -16.6509 -7.0212 -7.0211 -6.8186 -6.8185 -6.5450 -6.5448 -6.5157 -6.5155 -2.5146 -2.5139 -1.9349 -1.9336 -1.9117 -1.9110 -1.6388 -1.6380 -0.6237 -0.6223 -0.0216 -0.0190 0.2062 0.2072 0.2252 0.2268 3.7952 3.7954 6.3527 6.3529 7.3634 7.3637 7.5825 7.5832 8.5117 8.5121 k =-0.0787 0.1257 0.1483 ( 17419 PWs) bands (ev): -49.5618 -49.5618 -42.6069 -42.6069 -42.6025 -42.6025 -42.0643 -42.0643 -21.6394 -21.6394 -21.4814 -21.4814 -21.4236 -21.4235 -16.9044 -16.9044 -16.7348 -16.7345 -16.6502 -16.6499 -16.6492 -16.6491 -7.0263 -7.0261 -6.8194 -6.8193 -6.5382 -6.5380 -6.5138 -6.5137 -2.5168 -2.5162 -1.9274 -1.9261 -1.9063 -1.9057 -1.6450 -1.6442 -0.6302 -0.6290 -0.0204 -0.0180 0.2172 0.2181 0.2332 0.2346 3.7575 3.7576 6.3084 6.3086 7.3928 7.3931 7.5635 7.5642 8.5281 8.5286 k =-0.0708 0.1132 0.1335 ( 17421 PWs) bands (ev): -49.5618 -49.5618 -42.6070 -42.6070 -42.6025 -42.6025 -42.0642 -42.0642 -21.6394 -21.6394 -21.4814 -21.4814 -21.4236 -21.4235 -16.9072 -16.9072 -16.7357 -16.7354 -16.6483 -16.6480 -16.6475 -16.6474 -7.0308 -7.0307 -6.8202 -6.8200 -6.5319 -6.5317 -6.5121 -6.5120 -2.5189 -2.5183 -1.9200 -1.9188 -1.9013 -1.9007 -1.6513 -1.6505 -0.6362 -0.6351 -0.0193 -0.0171 0.2276 0.2284 0.2407 0.2419 3.7227 3.7228 6.2675 6.2676 7.4155 7.4158 7.5457 7.5463 8.5490 8.5494 k =-0.0629 0.1006 0.1187 ( 17425 PWs) bands (ev): -49.5618 -49.5618 -42.6070 -42.6070 -42.6025 -42.6025 -42.0642 -42.0642 -21.6394 -21.6393 -21.4814 -21.4814 -21.4236 -21.4236 -16.9099 -16.9099 -16.7364 -16.7362 -16.6466 -16.6463 -16.6460 -16.6459 -7.0350 -7.0348 -6.8208 -6.8207 -6.5262 -6.5261 -6.5105 -6.5104 -2.5208 -2.5203 -1.9128 -1.9117 -1.8967 -1.8962 -1.6575 -1.6568 -0.6417 -0.6406 -0.0184 -0.0164 0.2372 0.2380 0.2478 0.2488 3.6910 3.6912 6.2302 6.2304 7.4322 7.4326 7.5291 7.5297 8.5727 8.5731 k =-0.0551 0.0880 0.1038 ( 17421 PWs) bands (ev): -49.5618 -49.5618 -42.6071 -42.6071 -42.6024 -42.6024 -42.0641 -42.0641 -21.6394 -21.6393 -21.4813 -21.4813 -21.4236 -21.4236 -16.9122 -16.9122 -16.7371 -16.7369 -16.6451 -16.6449 -16.6446 -16.6445 -7.0386 -7.0385 -6.8214 -6.8213 -6.5212 -6.5210 -6.5091 -6.5090 -2.5224 -2.5220 -1.9059 -1.9048 -1.8925 -1.8920 -1.6636 -1.6629 -0.6465 -0.6456 -0.0176 -0.0159 0.2459 0.2467 0.2543 0.2552 3.6627 3.6628 6.1969 6.1971 7.4440 7.4443 7.5141 7.5146 8.5974 8.5978 k =-0.0472 0.0754 0.0890 ( 17405 PWs) bands (ev): -49.5618 -49.5618 -42.6071 -42.6071 -42.6024 -42.6024 -42.0641 -42.0641 -21.6393 -21.6393 -21.4813 -21.4813 -21.4236 -21.4236 -16.9142 -16.9142 -16.7377 -16.7375 -16.6438 -16.6436 -16.6433 -16.6433 -7.0418 -7.0417 -6.8219 -6.8219 -6.5167 -6.5166 -6.5078 -6.5077 -2.5239 -2.5235 -1.8993 -1.8984 -1.8888 -1.8883 -1.6694 -1.6687 -0.6508 -0.6500 -0.0170 -0.0155 0.2537 0.2544 0.2602 0.2609 3.6378 3.6379 6.1677 6.1678 7.4519 7.4522 7.5007 7.5011 8.6215 8.6218 k =-0.0393 0.0629 0.0742 ( 17401 PWs) bands (ev): -49.5618 -49.5618 -42.6072 -42.6072 -42.6024 -42.6024 -42.0641 -42.0641 -21.6393 -21.6393 -21.4813 -21.4813 -21.4236 -21.4236 -16.9159 -16.9159 -16.7382 -16.7381 -16.6427 -16.6425 -16.6422 -16.6422 -7.0445 -7.0444 -6.8224 -6.8223 -6.5129 -6.5128 -6.5067 -6.5067 -2.5251 -2.5248 -1.8933 -1.8925 -1.8855 -1.8852 -1.6747 -1.6741 -0.6544 -0.6538 -0.0164 -0.0152 0.2605 0.2611 0.2653 0.2658 3.6165 3.6166 6.1427 6.1428 7.4568 7.4570 7.4891 7.4895 8.6436 8.6439 k =-0.0315 0.0503 0.0593 ( 17397 PWs) bands (ev): -49.5618 -49.5618 -42.6072 -42.6072 -42.6024 -42.6024 -42.0640 -42.0640 -21.6393 -21.6393 -21.4813 -21.4813 -21.4236 -21.4236 -16.9173 -16.9173 -16.7387 -16.7385 -16.6418 -16.6417 -16.6413 -16.6413 -7.0467 -7.0467 -6.8227 -6.8227 -6.5098 -6.5097 -6.5058 -6.5058 -2.5261 -2.5259 -1.8881 -1.8874 -1.8828 -1.8825 -1.6794 -1.6789 -0.6574 -0.6569 -0.0160 -0.0150 0.2661 0.2667 0.2697 0.2701 3.5990 3.5990 6.1221 6.1222 7.4597 7.4598 7.4796 7.4798 8.6627 8.6629 k =-0.0236 0.0377 0.0445 ( 17399 PWs) bands (ev): -49.5618 -49.5618 -42.6072 -42.6072 -42.6024 -42.6024 -42.0640 -42.0640 -21.6393 -21.6393 -21.4813 -21.4813 -21.4236 -21.4236 -16.9184 -16.9184 -16.7390 -16.7389 -16.6411 -16.6410 -16.6406 -16.6406 -7.0485 -7.0484 -6.8230 -6.8230 -6.5073 -6.5073 -6.5051 -6.5051 -2.5269 -2.5267 -1.8837 -1.8832 -1.8807 -1.8804 -1.6833 -1.6829 -0.6598 -0.6594 -0.0157 -0.0149 0.2704 0.2709 0.2733 0.2735 3.5852 3.5852 6.1059 6.1060 7.4611 7.4613 7.4720 7.4722 8.6779 8.6781 k =-0.0157 0.0251 0.0297 ( 17415 PWs) bands (ev): -49.5618 -49.5618 -42.6073 -42.6073 -42.6024 -42.6024 -42.0640 -42.0640 -21.6393 -21.6393 -21.4813 -21.4813 -21.4236 -21.4236 -16.9192 -16.9192 -16.7392 -16.7392 -16.6406 -16.6406 -16.6401 -16.6401 -7.0497 -7.0497 -6.8232 -6.8232 -6.5056 -6.5056 -6.5046 -6.5045 -2.5274 -2.5273 -1.8805 -1.8801 -1.8791 -1.8789 -1.6862 -1.6859 -0.6614 -0.6611 -0.0154 -0.0149 0.2734 0.2738 0.2760 0.2761 3.5753 3.5753 6.0943 6.0944 7.4618 7.4619 7.4666 7.4667 8.6890 8.6891 k =-0.0079 0.0126 0.0148 ( 17427 PWs) bands (ev): -49.5618 -49.5618 -42.6073 -42.6073 -42.6024 -42.6024 -42.0640 -42.0640 -21.6393 -21.6393 -21.4813 -21.4813 -21.4236 -21.4236 -16.9197 -16.9197 -16.7393 -16.7393 -16.6403 -16.6403 -16.6398 -16.6398 -7.0504 -7.0504 -6.8234 -6.8233 -6.5046 -6.5046 -6.5042 -6.5042 -2.5278 -2.5277 -1.8786 -1.8784 -1.8780 -1.8778 -1.6879 -1.6878 -0.6624 -0.6622 -0.0152 -0.0149 0.2753 0.2754 0.2777 0.2778 3.5693 3.5693 6.0874 6.0874 7.4618 7.4619 7.4636 7.4636 8.6956 8.6957 k = 0.0000 0.0000 0.0000 ( 17407 PWs) bands (ev): -49.5618 -49.5618 -42.6073 -42.6073 -42.6023 -42.6023 -42.0640 -42.0640 -21.6393 -21.6393 -21.4813 -21.4813 -21.4236 -21.4236 -16.9199 -16.9199 -16.7394 -16.7394 -16.6402 -16.6402 -16.6397 -16.6397 -7.0507 -7.0507 -6.8234 -6.8234 -6.5044 -6.5044 -6.5039 -6.5039 -2.5278 -2.5278 -1.8780 -1.8780 -1.8774 -1.8774 -1.6885 -1.6885 -0.6627 -0.6627 -0.0150 -0.0150 0.2759 0.2759 0.2783 0.2783 3.5673 3.5673 6.0850 6.0850 7.4616 7.4616 7.4628 7.4628 8.6979 8.6979 k = 0.0000 0.0000 0.0000 ( 17407 PWs) bands (ev): -49.5618 -49.5618 -42.6073 -42.6073 -42.6023 -42.6023 -42.0640 -42.0640 -21.6393 -21.6393 -21.4813 -21.4813 -21.4236 -21.4236 -16.9199 -16.9199 -16.7394 -16.7394 -16.6402 -16.6402 -16.6397 -16.6397 -7.0507 -7.0507 -6.8234 -6.8234 -6.5044 -6.5044 -6.5039 -6.5039 -2.5278 -2.5278 -1.8780 -1.8780 -1.8774 -1.8774 -1.6885 -1.6885 -0.6627 -0.6627 -0.0150 -0.0150 0.2759 0.2759 0.2783 0.2783 3.5673 3.5673 6.0850 6.0850 7.4616 7.4616 7.4628 7.4628 8.6979 8.6979 k = 0.0179 0.0112-0.0000 ( 17423 PWs) bands (ev): -49.5618 -49.5618 -42.6073 -42.6073 -42.6024 -42.6024 -42.0640 -42.0640 -21.6393 -21.6393 -21.4813 -21.4813 -21.4236 -21.4236 -16.9197 -16.9197 -16.7395 -16.7395 -16.6402 -16.6402 -16.6397 -16.6397 -7.0507 -7.0507 -6.8233 -6.8233 -6.5043 -6.5043 -6.5039 -6.5039 -2.5276 -2.5276 -1.8780 -1.8780 -1.8773 -1.8773 -1.6890 -1.6890 -0.6622 -0.6622 -0.0158 -0.0158 0.2759 0.2759 0.2784 0.2784 3.5691 3.5691 6.0858 6.0858 7.4578 7.4578 7.4590 7.4590 8.6979 8.6979 k = 0.0357 0.0223-0.0000 ( 17403 PWs) bands (ev): -49.5618 -49.5618 -42.6073 -42.6073 -42.6024 -42.6024 -42.0640 -42.0640 -21.6393 -21.6393 -21.4813 -21.4813 -21.4236 -21.4236 -16.9193 -16.9193 -16.7400 -16.7400 -16.6402 -16.6402 -16.6397 -16.6397 -7.0509 -7.0509 -6.8231 -6.8231 -6.5043 -6.5043 -6.5039 -6.5039 -2.5270 -2.5270 -1.8777 -1.8777 -1.8770 -1.8770 -1.6905 -1.6905 -0.6607 -0.6607 -0.0181 -0.0181 0.2760 0.2760 0.2785 0.2785 3.5744 3.5744 6.0880 6.0880 7.4466 7.4466 7.4478 7.4478 8.6980 8.6980 k = 0.0536 0.0335-0.0000 ( 17407 PWs) bands (ev): -49.5618 -49.5618 -42.6073 -42.6073 -42.6024 -42.6024 -42.0640 -42.0640 -21.6393 -21.6393 -21.4813 -21.4813 -21.4236 -21.4236 -16.9186 -16.9186 -16.7407 -16.7407 -16.6402 -16.6402 -16.6397 -16.6397 -7.0511 -7.0511 -6.8228 -6.8228 -6.5042 -6.5042 -6.5038 -6.5038 -2.5259 -2.5259 -1.8773 -1.8773 -1.8767 -1.8767 -1.6930 -1.6930 -0.6583 -0.6583 -0.0218 -0.0218 0.2762 0.2762 0.2786 0.2786 3.5831 3.5831 6.0917 6.0917 7.4283 7.4283 7.4295 7.4295 8.6980 8.6980 k = 0.0714 0.0447-0.0000 ( 17431 PWs) bands (ev): -49.5618 -49.5618 -42.6073 -42.6073 -42.6024 -42.6024 -42.0640 -42.0640 -21.6393 -21.6393 -21.4813 -21.4813 -21.4236 -21.4236 -16.9177 -16.9177 -16.7417 -16.7417 -16.6402 -16.6402 -16.6397 -16.6397 -7.0514 -7.0514 -6.8224 -6.8224 -6.5042 -6.5042 -6.5037 -6.5037 -2.5244 -2.5244 -1.8768 -1.8768 -1.8761 -1.8761 -1.6965 -1.6965 -0.6549 -0.6549 -0.0271 -0.0271 0.2764 0.2764 0.2788 0.2788 3.5952 3.5952 6.0968 6.0968 7.4035 7.4035 7.4047 7.4047 8.6981 8.6981 k = 0.0893 0.0559-0.0000 ( 17423 PWs) bands (ev): -49.5618 -49.5618 -42.6073 -42.6073 -42.6024 -42.6024 -42.0640 -42.0640 -21.6393 -21.6393 -21.4813 -21.4813 -21.4236 -21.4236 -16.9164 -16.9164 -16.7430 -16.7430 -16.6402 -16.6402 -16.6397 -16.6397 -7.0518 -7.0518 -6.8219 -6.8219 -6.5041 -6.5041 -6.5036 -6.5036 -2.5224 -2.5224 -1.8761 -1.8761 -1.8754 -1.8754 -1.7009 -1.7009 -0.6507 -0.6507 -0.0337 -0.0337 0.2767 0.2767 0.2791 0.2791 3.6104 3.6104 6.1033 6.1033 7.3729 7.3729 7.3742 7.3742 8.6983 8.6983 k = 0.1071 0.0670-0.0000 ( 17415 PWs) bands (ev): -49.5618 -49.5618 -42.6073 -42.6073 -42.6023 -42.6023 -42.0640 -42.0640 -21.6393 -21.6393 -21.4813 -21.4813 -21.4236 -21.4236 -16.9149 -16.9149 -16.7445 -16.7445 -16.6402 -16.6402 -16.6397 -16.6397 -7.0522 -7.0522 -6.8213 -6.8213 -6.5039 -6.5039 -6.5035 -6.5035 -2.5201 -2.5201 -1.8753 -1.8753 -1.8746 -1.8746 -1.7061 -1.7061 -0.6456 -0.6456 -0.0416 -0.0416 0.2771 0.2771 0.2794 0.2794 3.6288 3.6288 6.1111 6.1111 7.3374 7.3374 7.3388 7.3388 8.6985 8.6985 k = 0.1250 0.0782-0.0000 ( 17423 PWs) bands (ev): -49.5618 -49.5618 -42.6073 -42.6073 -42.6023 -42.6023 -42.0640 -42.0640 -21.6393 -21.6393 -21.4813 -21.4813 -21.4236 -21.4236 -16.9132 -16.9132 -16.7464 -16.7464 -16.6402 -16.6402 -16.6397 -16.6397 -7.0528 -7.0528 -6.8206 -6.8206 -6.5038 -6.5038 -6.5034 -6.5034 -2.5174 -2.5174 -1.8744 -1.8744 -1.8737 -1.8737 -1.7121 -1.7121 -0.6398 -0.6398 -0.0506 -0.0506 0.2775 0.2775 0.2797 0.2798 3.6499 3.6499 6.1200 6.1200 7.2979 7.2980 7.2993 7.2993 8.6987 8.6987 k = 0.1429 0.0894-0.0000 ( 17439 PWs) bands (ev): -49.5618 -49.5618 -42.6073 -42.6073 -42.6024 -42.6024 -42.0640 -42.0640 -21.6393 -21.6393 -21.4813 -21.4813 -21.4236 -21.4236 -16.9111 -16.9111 -16.7485 -16.7485 -16.6403 -16.6403 -16.6397 -16.6397 -7.0533 -7.0533 -6.8198 -6.8198 -6.5036 -6.5036 -6.5032 -6.5032 -2.5143 -2.5143 -1.8733 -1.8733 -1.8726 -1.8726 -1.7189 -1.7189 -0.6332 -0.6332 -0.0608 -0.0608 0.2779 0.2779 0.2802 0.2802 3.6736 3.6736 6.1301 6.1301 7.2553 7.2553 7.2567 7.2567 8.6989 8.6989 k = 0.1607 0.1005-0.0000 ( 17431 PWs) bands (ev): -49.5618 -49.5618 -42.6073 -42.6073 -42.6023 -42.6023 -42.0640 -42.0640 -21.6393 -21.6393 -21.4813 -21.4813 -21.4236 -21.4236 -16.9089 -16.9089 -16.7508 -16.7508 -16.6403 -16.6403 -16.6397 -16.6397 -7.0540 -7.0540 -6.8189 -6.8189 -6.5034 -6.5034 -6.5030 -6.5030 -2.5109 -2.5109 -1.8722 -1.8722 -1.8715 -1.8715 -1.7262 -1.7262 -0.6260 -0.6260 -0.0719 -0.0719 0.2784 0.2784 0.2806 0.2806 3.6997 3.6997 6.1412 6.1412 7.2104 7.2104 7.2118 7.2119 8.6992 8.6992 k = 0.1786 0.1117-0.0000 ( 17431 PWs) bands (ev): -49.5618 -49.5618 -42.6073 -42.6073 -42.6023 -42.6023 -42.0640 -42.0640 -21.6393 -21.6393 -21.4813 -21.4813 -21.4236 -21.4236 -16.9063 -16.9063 -16.7535 -16.7535 -16.6403 -16.6403 -16.6397 -16.6397 -7.0546 -7.0546 -6.8180 -6.8180 -6.5032 -6.5032 -6.5028 -6.5028 -2.5072 -2.5072 -1.8709 -1.8709 -1.8703 -1.8703 -1.7341 -1.7341 -0.6181 -0.6181 -0.0838 -0.0838 0.2789 0.2789 0.2811 0.2811 3.7277 3.7277 6.1532 6.1532 7.1640 7.1640 7.1655 7.1655 8.6995 8.6995 k = 0.1964 0.1229-0.0000 ( 17423 PWs) bands (ev): -49.5618 -49.5618 -42.6073 -42.6073 -42.6023 -42.6023 -42.0640 -42.0640 -21.6393 -21.6393 -21.4813 -21.4813 -21.4236 -21.4236 -16.9036 -16.9036 -16.7563 -16.7563 -16.6403 -16.6403 -16.6398 -16.6398 -7.0553 -7.0553 -6.8171 -6.8171 -6.5030 -6.5030 -6.5026 -6.5026 -2.5033 -2.5033 -1.8696 -1.8696 -1.8689 -1.8689 -1.7424 -1.7424 -0.6098 -0.6098 -0.0964 -0.0964 0.2795 0.2795 0.2816 0.2816 3.7575 3.7575 6.1659 6.1659 7.1168 7.1168 7.1183 7.1183 8.6999 8.6999 k = 0.2143 0.1341-0.0000 ( 17407 PWs) bands (ev): -49.5618 -49.5618 -42.6073 -42.6073 -42.6023 -42.6023 -42.0640 -42.0640 -21.6393 -21.6393 -21.4813 -21.4813 -21.4236 -21.4236 -16.9006 -16.9006 -16.7594 -16.7594 -16.6403 -16.6403 -16.6398 -16.6398 -7.0561 -7.0561 -6.8161 -6.8161 -6.5028 -6.5028 -6.5024 -6.5024 -2.4991 -2.4991 -1.8683 -1.8683 -1.8676 -1.8676 -1.7511 -1.7511 -0.6011 -0.6011 -0.1095 -0.1095 0.2801 0.2801 0.2821 0.2821 3.7886 3.7886 6.1791 6.1791 7.0695 7.0695 7.0711 7.0711 8.7003 8.7003 k = 0.2321 0.1452-0.0000 ( 17403 PWs) bands (ev): -49.5618 -49.5618 -42.6073 -42.6073 -42.6023 -42.6023 -42.0640 -42.0640 -21.6393 -21.6393 -21.4813 -21.4813 -21.4236 -21.4236 -16.8974 -16.8974 -16.7627 -16.7627 -16.6403 -16.6403 -16.6398 -16.6398 -7.0568 -7.0568 -6.8150 -6.8150 -6.5026 -6.5026 -6.5022 -6.5021 -2.4947 -2.4947 -1.8669 -1.8669 -1.8662 -1.8662 -1.7600 -1.7600 -0.5920 -0.5920 -0.1231 -0.1231 0.2807 0.2807 0.2827 0.2827 3.8207 3.8207 6.1928 6.1928 7.0227 7.0227 7.0243 7.0243 8.7008 8.7008 k = 0.2500 0.1564-0.0000 ( 17439 PWs) bands (ev): -49.5618 -49.5618 -42.6073 -42.6073 -42.6023 -42.6023 -42.0640 -42.0640 -21.6393 -21.6393 -21.4813 -21.4813 -21.4236 -21.4236 -16.8940 -16.8940 -16.7662 -16.7662 -16.6403 -16.6403 -16.6398 -16.6398 -7.0576 -7.0576 -6.8140 -6.8140 -6.5024 -6.5024 -6.5019 -6.5019 -2.4902 -2.4902 -1.8655 -1.8655 -1.8648 -1.8648 -1.7691 -1.7691 -0.5826 -0.5826 -0.1370 -0.1370 0.2814 0.2814 0.2833 0.2833 3.8534 3.8534 6.2067 6.2067 6.9769 6.9769 6.9785 6.9785 8.7013 8.7013 k = 0.2679 0.1676-0.0000 ( 17491 PWs) bands (ev): -49.5618 -49.5618 -42.6073 -42.6073 -42.6024 -42.6024 -42.0640 -42.0640 -21.6393 -21.6393 -21.4813 -21.4813 -21.4236 -21.4236 -16.8904 -16.8904 -16.7699 -16.7699 -16.6404 -16.6404 -16.6398 -16.6398 -7.0583 -7.0583 -6.8130 -6.8130 -6.5021 -6.5021 -6.5017 -6.5017 -2.4856 -2.4856 -1.8641 -1.8641 -1.8634 -1.8634 -1.7781 -1.7781 -0.5730 -0.5730 -0.1510 -0.1510 0.2820 0.2820 0.2838 0.2838 3.8863 3.8863 6.2207 6.2207 6.9326 6.9326 6.9343 6.9343 8.7019 8.7019 k = 0.2857 0.1787-0.0000 ( 17491 PWs) bands (ev): -49.5618 -49.5618 -42.6073 -42.6073 -42.6024 -42.6024 -42.0640 -42.0640 -21.6393 -21.6393 -21.4813 -21.4813 -21.4236 -21.4236 -16.8866 -16.8866 -16.7738 -16.7738 -16.6404 -16.6404 -16.6398 -16.6398 -7.0590 -7.0590 -6.8120 -6.8120 -6.5019 -6.5019 -6.5015 -6.5015 -2.4809 -2.4809 -1.8627 -1.8627 -1.8620 -1.8620 -1.7871 -1.7871 -0.5633 -0.5633 -0.1651 -0.1651 0.2827 0.2827 0.2844 0.2844 3.9191 3.9191 6.2346 6.2346 6.8901 6.8901 6.8919 6.8919 8.7026 8.7026 k = 0.3036 0.1899-0.0000 ( 17483 PWs) bands (ev): -49.5618 -49.5618 -42.6073 -42.6073 -42.6023 -42.6023 -42.0640 -42.0640 -21.6393 -21.6393 -21.4813 -21.4813 -21.4237 -21.4237 -16.8826 -16.8826 -16.7779 -16.7779 -16.6404 -16.6404 -16.6398 -16.6398 -7.0597 -7.0597 -6.8110 -6.8110 -6.5017 -6.5017 -6.5013 -6.5013 -2.4763 -2.4763 -1.8613 -1.8613 -1.8606 -1.8606 -1.7960 -1.7960 -0.5535 -0.5535 -0.1790 -0.1790 0.2833 0.2833 0.2850 0.2850 3.9512 3.9512 6.2482 6.2482 6.8500 6.8500 6.8517 6.8517 8.7033 8.7033 k = 0.3214 0.2011-0.0000 ( 17475 PWs) bands (ev): -49.5618 -49.5618 -42.6073 -42.6073 -42.6023 -42.6023 -42.0640 -42.0640 -21.6393 -21.6393 -21.4813 -21.4813 -21.4237 -21.4237 -16.8785 -16.8785 -16.7821 -16.7821 -16.6404 -16.6404 -16.6399 -16.6399 -7.0604 -7.0604 -6.8101 -6.8101 -6.5015 -6.5015 -6.5010 -6.5010 -2.4717 -2.4717 -1.8600 -1.8600 -1.8593 -1.8593 -1.8045 -1.8045 -0.5438 -0.5438 -0.1927 -0.1927 0.2839 0.2839 0.2855 0.2855 3.9824 3.9824 6.2613 6.2613 6.8124 6.8124 6.8141 6.8141 8.7041 8.7041 k = 0.3393 0.2123-0.0000 ( 17455 PWs) bands (ev): -49.5618 -49.5618 -42.6073 -42.6073 -42.6023 -42.6023 -42.0640 -42.0640 -21.6393 -21.6393 -21.4813 -21.4813 -21.4237 -21.4237 -16.8742 -16.8742 -16.7865 -16.7865 -16.6404 -16.6404 -16.6399 -16.6399 -7.0610 -7.0610 -6.8092 -6.8092 -6.5013 -6.5013 -6.5008 -6.5008 -2.4673 -2.4673 -1.8588 -1.8588 -1.8581 -1.8581 -1.8126 -1.8126 -0.5343 -0.5343 -0.2059 -0.2059 0.2845 0.2845 0.2860 0.2860 4.0121 4.0121 6.2738 6.2738 6.7776 6.7776 6.7794 6.7794 8.7050 8.7050 k = 0.3571 0.2234-0.0000 ( 17443 PWs) bands (ev): -49.5618 -49.5618 -42.6073 -42.6073 -42.6023 -42.6023 -42.0640 -42.0640 -21.6393 -21.6393 -21.4813 -21.4813 -21.4237 -21.4237 -16.8698 -16.8698 -16.7910 -16.7910 -16.6404 -16.6404 -16.6399 -16.6399 -7.0616 -7.0616 -6.8084 -6.8084 -6.5011 -6.5011 -6.5007 -6.5007 -2.4632 -2.4632 -1.8576 -1.8576 -1.8569 -1.8569 -1.8202 -1.8202 -0.5250 -0.5250 -0.2187 -0.2187 0.2850 0.2851 0.2865 0.2865 4.0400 4.0400 6.2855 6.2855 6.7459 6.7459 6.7477 6.7477 8.7059 8.7059 k = 0.3750 0.2346-0.0000 ( 17455 PWs) bands (ev): -49.5618 -49.5618 -42.6073 -42.6073 -42.6023 -42.6023 -42.0640 -42.0640 -21.6393 -21.6393 -21.4813 -21.4813 -21.4237 -21.4237 -16.8652 -16.8652 -16.7957 -16.7957 -16.6404 -16.6404 -16.6399 -16.6399 -7.0621 -7.0621 -6.8077 -6.8077 -6.5009 -6.5009 -6.5005 -6.5005 -2.4593 -2.4593 -1.8566 -1.8566 -1.8559 -1.8559 -1.8272 -1.8272 -0.5161 -0.5161 -0.2307 -0.2307 0.2856 0.2856 0.2869 0.2869 4.0656 4.0656 6.2962 6.2962 6.7175 6.7175 6.7193 6.7193 8.7069 8.7069 k = 0.3929 0.2458-0.0000 ( 17443 PWs) bands (ev): -49.5618 -49.5618 -42.6073 -42.6073 -42.6023 -42.6023 -42.0640 -42.0640 -21.6394 -21.6394 -21.4813 -21.4813 -21.4237 -21.4237 -16.8606 -16.8606 -16.8004 -16.8004 -16.6404 -16.6404 -16.6399 -16.6399 -7.0626 -7.0626 -6.8070 -6.8070 -6.5008 -6.5008 -6.5003 -6.5003 -2.4557 -2.4557 -1.8556 -1.8556 -1.8550 -1.8550 -1.8335 -1.8335 -0.5077 -0.5077 -0.2419 -0.2419 0.2860 0.2860 0.2873 0.2873 4.0888 4.0888 6.3058 6.3058 6.6925 6.6925 6.6944 6.6944 8.7080 8.7080 k = 0.4107 0.2569-0.0000 ( 17443 PWs) bands (ev): -49.5618 -49.5618 -42.6073 -42.6073 -42.6023 -42.6023 -42.0640 -42.0640 -21.6394 -21.6394 -21.4813 -21.4813 -21.4237 -21.4237 -16.8559 -16.8559 -16.8051 -16.8051 -16.6404 -16.6404 -16.6399 -16.6399 -7.0630 -7.0630 -6.8065 -6.8065 -6.5007 -6.5007 -6.5002 -6.5002 -2.4526 -2.4526 -1.8548 -1.8548 -1.8542 -1.8542 -1.8389 -1.8389 -0.5000 -0.5000 -0.2519 -0.2519 0.2864 0.2864 0.2876 0.2876 4.1089 4.1089 6.3141 6.3141 6.6711 6.6711 6.6730 6.6730 8.7091 8.7091 k = 0.4286 0.2681-0.0000 ( 17423 PWs) bands (ev): -49.5618 -49.5618 -42.6073 -42.6073 -42.6023 -42.6023 -42.0640 -42.0640 -21.6394 -21.6394 -21.4813 -21.4813 -21.4237 -21.4237 -16.8511 -16.8511 -16.8100 -16.8100 -16.6404 -16.6404 -16.6399 -16.6399 -7.0634 -7.0634 -6.8060 -6.8060 -6.5006 -6.5006 -6.5001 -6.5001 -2.4500 -2.4500 -1.8541 -1.8541 -1.8535 -1.8535 -1.8435 -1.8435 -0.4932 -0.4932 -0.2607 -0.2607 0.2868 0.2868 0.2879 0.2879 4.1259 4.1259 6.3211 6.3211 6.6535 6.6535 6.6554 6.6554 8.7101 8.7101 k = 0.4464 0.2793-0.0000 ( 17415 PWs) bands (ev): -49.5618 -49.5618 -42.6073 -42.6073 -42.6023 -42.6023 -42.0640 -42.0640 -21.6394 -21.6394 -21.4813 -21.4813 -21.4237 -21.4237 -16.8463 -16.8463 -16.8148 -16.8148 -16.6405 -16.6405 -16.6399 -16.6399 -7.0636 -7.0636 -6.8056 -6.8056 -6.5005 -6.5005 -6.5000 -6.5000 -2.4478 -2.4478 -1.8536 -1.8536 -1.8531 -1.8531 -1.8471 -1.8471 -0.4876 -0.4876 -0.2679 -0.2679 0.2870 0.2870 0.2882 0.2882 4.1394 4.1394 6.3266 6.3266 6.6397 6.6397 6.6416 6.6416 8.7111 8.7111 k = 0.4643 0.2904-0.0000 ( 17422 PWs) bands (ev): -49.5618 -49.5618 -42.6073 -42.6073 -42.6023 -42.6023 -42.0640 -42.0640 -21.6394 -21.6394 -21.4813 -21.4813 -21.4237 -21.4237 -16.8417 -16.8417 -16.8195 -16.8195 -16.6405 -16.6405 -16.6399 -16.6399 -7.0638 -7.0638 -6.8053 -6.8053 -6.5004 -6.5004 -6.4999 -6.4999 -2.4463 -2.4463 -1.8532 -1.8532 -1.8529 -1.8529 -1.8495 -1.8495 -0.4833 -0.4833 -0.2733 -0.2733 0.2872 0.2872 0.2883 0.2883 4.1492 4.1492 6.3306 6.3306 6.6298 6.6298 6.6317 6.6317 8.7118 8.7118 k = 0.4821 0.3016-0.0000 ( 17438 PWs) bands (ev): -49.5618 -49.5618 -42.6073 -42.6073 -42.6023 -42.6023 -42.0640 -42.0640 -21.6394 -21.6394 -21.4813 -21.4813 -21.4237 -21.4237 -16.8374 -16.8374 -16.8237 -16.8237 -16.6405 -16.6405 -16.6399 -16.6399 -7.0639 -7.0639 -6.8052 -6.8052 -6.5004 -6.5004 -6.4999 -6.4999 -2.4453 -2.4453 -1.8532 -1.8532 -1.8529 -1.8529 -1.8507 -1.8507 -0.4806 -0.4806 -0.2766 -0.2766 0.2874 0.2874 0.2884 0.2884 4.1551 4.1551 6.3330 6.3330 6.6238 6.6238 6.6257 6.6257 8.7123 8.7123 k = 0.5000 0.3128-0.0000 ( 17418 PWs) bands (ev): -49.5618 -49.5618 -42.6073 -42.6073 -42.6023 -42.6023 -42.0640 -42.0640 -21.6394 -21.6394 -21.4813 -21.4813 -21.4237 -21.4237 -16.8352 -16.8352 -16.8260 -16.8260 -16.6405 -16.6405 -16.6399 -16.6399 -7.0640 -7.0640 -6.8051 -6.8051 -6.5004 -6.5004 -6.4999 -6.4999 -2.4450 -2.4450 -1.8534 -1.8534 -1.8528 -1.8528 -1.8510 -1.8510 -0.4797 -0.4797 -0.2777 -0.2777 0.2874 0.2874 0.2884 0.2884 4.1571 4.1571 6.3338 6.3338 6.6218 6.6218 6.6237 6.6237 8.7125 8.7125 k = 0.5000 0.3128-0.0000 ( 17418 PWs) bands (ev): -49.5618 -49.5618 -42.6073 -42.6073 -42.6023 -42.6023 -42.0640 -42.0640 -21.6394 -21.6394 -21.4813 -21.4813 -21.4237 -21.4237 -16.8352 -16.8352 -16.8260 -16.8260 -16.6405 -16.6405 -16.6399 -16.6399 -7.0640 -7.0640 -6.8051 -6.8051 -6.5004 -6.5004 -6.4999 -6.4999 -2.4450 -2.4450 -1.8534 -1.8534 -1.8528 -1.8528 -1.8510 -1.8510 -0.4797 -0.4797 -0.2777 -0.2777 0.2874 0.2874 0.2884 0.2884 4.1571 4.1571 6.3338 6.3338 6.6218 6.6218 6.6237 6.6237 8.7125 8.7125 k = 0.4920 0.3256 0.0152 ( 17430 PWs) bands (ev): -49.5618 -49.5618 -42.6073 -42.6073 -42.6023 -42.6023 -42.0640 -42.0640 -21.6394 -21.6394 -21.4813 -21.4813 -21.4237 -21.4237 -16.8351 -16.8351 -16.8258 -16.8258 -16.6406 -16.6406 -16.6400 -16.6400 -7.0637 -7.0637 -6.8051 -6.8051 -6.5006 -6.5006 -6.5001 -6.5001 -2.4450 -2.4449 -1.8617 -1.8602 -1.8532 -1.8531 -1.8443 -1.8426 -0.4795 -0.4793 -0.2776 -0.2775 0.2868 0.2869 0.2879 0.2880 4.1588 4.1589 6.3322 6.3325 6.6235 6.6237 6.6260 6.6261 8.7137 8.7138 k = 0.4839 0.3385 0.0303 ( 17420 PWs) bands (ev): -49.5618 -49.5618 -42.6073 -42.6073 -42.6023 -42.6023 -42.0640 -42.0640 -21.6394 -21.6394 -21.4813 -21.4813 -21.4237 -21.4237 -16.8348 -16.8347 -16.8255 -16.8255 -16.6410 -16.6409 -16.6403 -16.6403 -7.0629 -7.0629 -6.8050 -6.8050 -6.5017 -6.5017 -6.5005 -6.5005 -2.4449 -2.4447 -1.8703 -1.8687 -1.8546 -1.8545 -1.8356 -1.8338 -0.4786 -0.4783 -0.2770 -0.2768 0.2848 0.2852 0.2866 0.2868 4.1640 4.1641 6.3278 6.3283 6.6276 6.6279 6.6342 6.6345 8.7173 8.7175 k = 0.4759 0.3514 0.0455 ( 17420 PWs) bands (ev): -49.5618 -49.5618 -42.6073 -42.6073 -42.6023 -42.6023 -42.0640 -42.0640 -21.6394 -21.6394 -21.4813 -21.4813 -21.4237 -21.4237 -16.8343 -16.8342 -16.8249 -16.8249 -16.6417 -16.6417 -16.6406 -16.6406 -7.0615 -7.0615 -6.8049 -6.8049 -6.5036 -6.5035 -6.5011 -6.5011 -2.4446 -2.4444 -1.8787 -1.8772 -1.8569 -1.8568 -1.8267 -1.8250 -0.4772 -0.4767 -0.2759 -0.2758 0.2815 0.2820 0.2846 0.2851 4.1726 4.1727 6.3208 6.3214 6.6341 6.6345 6.6480 6.6485 8.7234 8.7238 k = 0.4678 0.3642 0.0607 ( 17422 PWs) bands (ev): -49.5618 -49.5618 -42.6072 -42.6072 -42.6024 -42.6024 -42.0641 -42.0641 -21.6394 -21.6394 -21.4814 -21.4814 -21.4237 -21.4237 -16.8335 -16.8334 -16.8242 -16.8242 -16.6428 -16.6427 -16.6410 -16.6409 -7.0596 -7.0596 -6.8047 -6.8047 -6.5062 -6.5061 -6.5019 -6.5019 -2.4442 -2.4440 -1.8871 -1.8855 -1.8602 -1.8600 -1.8179 -1.8162 -0.4751 -0.4746 -0.2745 -0.2743 0.2768 0.2774 0.2821 0.2827 4.1846 4.1848 6.3115 6.3123 6.6430 6.6436 6.6668 6.6675 8.7321 8.7325 k = 0.4598 0.3771 0.0758 ( 17410 PWs) bands (ev): -49.5618 -49.5618 -42.6072 -42.6072 -42.6024 -42.6024 -42.0641 -42.0641 -21.6394 -21.6394 -21.4814 -21.4814 -21.4237 -21.4237 -16.8326 -16.8324 -16.8232 -16.8232 -16.6442 -16.6441 -16.6415 -16.6414 -7.0572 -7.0571 -6.8045 -6.8045 -6.5095 -6.5094 -6.5029 -6.5028 -2.4438 -2.4434 -1.8953 -1.8937 -1.8643 -1.8641 -1.8090 -1.8073 -0.4726 -0.4718 -0.2726 -0.2724 0.2708 0.2716 0.2788 0.2796 4.1999 4.2001 6.3001 6.3010 6.6546 6.6552 6.6902 6.6910 8.7432 8.7437 k = 0.4517 0.3899 0.0910 ( 17412 PWs) bands (ev): -49.5618 -49.5618 -42.6072 -42.6072 -42.6024 -42.6024 -42.0641 -42.0641 -21.6394 -21.6394 -21.4814 -21.4814 -21.4237 -21.4236 -16.8314 -16.8312 -16.8219 -16.8219 -16.6459 -16.6459 -16.6421 -16.6419 -7.0542 -7.0541 -6.8042 -6.8042 -6.5136 -6.5134 -6.5041 -6.5040 -2.4432 -2.4428 -1.9033 -1.9018 -1.8691 -1.8689 -1.8001 -1.7984 -0.4695 -0.4687 -0.2703 -0.2700 0.2636 0.2646 0.2750 0.2759 4.2184 4.2187 6.2869 6.2879 6.6686 6.6693 6.7178 6.7187 8.7568 8.7574 k = 0.4437 0.4028 0.1062 ( 17428 PWs) bands (ev): -49.5618 -49.5618 -42.6071 -42.6071 -42.6024 -42.6024 -42.0641 -42.0641 -21.6394 -21.6394 -21.4814 -21.4814 -21.4237 -21.4236 -16.8300 -16.8298 -16.8205 -16.8205 -16.6479 -16.6479 -16.6427 -16.6426 -7.0507 -7.0506 -6.8039 -6.8038 -6.5183 -6.5182 -6.5055 -6.5054 -2.4426 -2.4421 -1.9111 -1.9097 -1.8748 -1.8745 -1.7913 -1.7895 -0.4661 -0.4650 -0.2676 -0.2672 0.2552 0.2563 0.2706 0.2717 4.2402 4.2405 6.2719 6.2729 6.6851 6.6859 6.7492 6.7501 8.7728 8.7736 k = 0.4357 0.4156 0.1213 ( 17436 PWs) bands (ev): -49.5618 -49.5618 -42.6070 -42.6070 -42.6025 -42.6025 -42.0642 -42.0642 -21.6394 -21.6394 -21.4814 -21.4814 -21.4237 -21.4236 -16.8284 -16.8282 -16.8189 -16.8189 -16.6502 -16.6502 -16.6435 -16.6433 -7.0467 -7.0465 -6.8036 -6.8035 -6.5238 -6.5236 -6.5070 -6.5069 -2.4418 -2.4413 -1.9188 -1.9174 -1.8811 -1.8808 -1.7824 -1.7807 -0.4622 -0.4611 -0.2645 -0.2640 0.2458 0.2471 0.2657 0.2669 4.2650 4.2654 6.2552 6.2562 6.7041 6.7049 6.7841 6.7851 8.7913 8.7922 k = 0.4276 0.4285 0.1365 ( 17404 PWs) bands (ev): -49.5618 -49.5618 -42.6070 -42.6070 -42.6025 -42.6025 -42.0642 -42.0642 -21.6394 -21.6394 -21.4814 -21.4814 -21.4237 -21.4236 -16.8267 -16.8264 -16.8170 -16.8170 -16.6528 -16.6528 -16.6443 -16.6441 -7.0421 -7.0420 -6.8032 -6.8031 -6.5298 -6.5296 -6.5088 -6.5087 -2.4410 -2.4405 -1.9263 -1.9248 -1.8880 -1.8876 -1.7736 -1.7719 -0.4581 -0.4568 -0.2609 -0.2604 0.2353 0.2368 0.2603 0.2616 4.2928 4.2932 6.2368 6.2378 6.7254 6.7262 6.8224 6.8234 8.8122 8.8131 k = 0.4196 0.4414 0.1517 ( 17412 PWs) bands (ev): -49.5618 -49.5618 -42.6069 -42.6069 -42.6025 -42.6025 -42.0643 -42.0643 -21.6395 -21.6394 -21.4815 -21.4815 -21.4237 -21.4236 -16.8247 -16.8245 -16.8150 -16.8150 -16.6557 -16.6556 -16.6453 -16.6450 -7.0371 -7.0369 -6.8027 -6.8026 -6.5365 -6.5362 -6.5106 -6.5105 -2.4402 -2.4396 -1.9335 -1.9321 -1.8954 -1.8950 -1.7648 -1.7631 -0.4537 -0.4523 -0.2569 -0.2564 0.2240 0.2256 0.2545 0.2559 4.3233 4.3238 6.2166 6.2175 6.7489 6.7498 6.8636 6.8646 8.8353 8.8363 k = 0.4115 0.4542 0.1668 ( 17400 PWs) bands (ev): -49.5618 -49.5618 -42.6068 -42.6068 -42.6026 -42.6026 -42.0643 -42.0643 -21.6395 -21.6394 -21.4815 -21.4815 -21.4236 -21.4236 -16.8226 -16.8223 -16.8128 -16.8127 -16.6588 -16.6588 -16.6463 -16.6460 -7.0316 -7.0314 -6.8022 -6.8021 -6.5437 -6.5435 -6.5127 -6.5125 -2.4393 -2.4387 -1.9404 -1.9391 -1.9032 -1.9028 -1.7561 -1.7543 -0.4493 -0.4477 -0.2525 -0.2519 0.2119 0.2136 0.2483 0.2498 4.3566 4.3570 6.1946 6.1955 6.7745 6.7754 6.9076 6.9087 8.8604 8.8614 k = 0.4035 0.4671 0.1820 ( 17408 PWs) bands (ev): -49.5618 -49.5618 -42.6067 -42.6067 -42.6026 -42.6026 -42.0644 -42.0644 -21.6395 -21.6395 -21.4815 -21.4815 -21.4236 -21.4236 -16.8203 -16.8200 -16.8104 -16.8103 -16.6621 -16.6621 -16.6474 -16.6471 -7.0256 -7.0254 -6.8017 -6.8016 -6.5515 -6.5513 -6.5148 -6.5147 -2.4384 -2.4378 -1.9471 -1.9458 -1.9114 -1.9110 -1.7474 -1.7457 -0.4447 -0.4431 -0.2476 -0.2469 0.1990 0.2009 0.2418 0.2434 4.3923 4.3927 6.1709 6.1718 6.8020 6.8029 6.9542 6.9552 8.8872 8.8882 k = 0.3954 0.4799 0.1972 ( 17410 PWs) bands (ev): -49.5618 -49.5618 -42.6066 -42.6066 -42.6026 -42.6026 -42.0644 -42.0644 -21.6395 -21.6395 -21.4815 -21.4815 -21.4236 -21.4236 -16.8179 -16.8176 -16.8078 -16.8077 -16.6657 -16.6657 -16.6486 -16.6483 -7.0192 -7.0190 -6.8012 -6.8011 -6.5598 -6.5595 -6.5170 -6.5169 -2.4376 -2.4369 -1.9536 -1.9523 -1.9198 -1.9194 -1.7388 -1.7370 -0.4402 -0.4385 -0.2422 -0.2416 0.1856 0.1875 0.2351 0.2368 4.4302 4.4307 6.1454 6.1462 6.8312 6.8322 7.0030 7.0040 8.9151 8.9160 k = 0.3874 0.4928 0.2123 ( 17394 PWs) bands (ev): -49.5618 -49.5618 -42.6065 -42.6065 -42.6027 -42.6027 -42.0645 -42.0645 -21.6395 -21.6395 -21.4816 -21.4816 -21.4236 -21.4236 -16.8154 -16.8150 -16.8051 -16.8050 -16.6695 -16.6695 -16.6498 -16.6495 -7.0124 -7.0122 -6.8007 -6.8005 -6.5686 -6.5683 -6.5193 -6.5192 -2.4367 -2.4360 -1.9597 -1.9585 -1.9284 -1.9280 -1.7302 -1.7285 -0.4358 -0.4340 -0.2365 -0.2357 0.1716 0.1737 0.2282 0.2300 4.4703 4.4708 6.1182 6.1190 6.8621 6.8630 7.0537 7.0548 8.9434 8.9442 k = 0.3794 0.5056 0.2275 ( 17398 PWs) bands (ev): -49.5618 -49.5618 -42.6064 -42.6064 -42.6027 -42.6027 -42.0645 -42.0645 -21.6395 -21.6395 -21.4816 -21.4816 -21.4236 -21.4236 -16.8127 -16.8124 -16.8022 -16.8021 -16.6735 -16.6734 -16.6512 -16.6508 -7.0052 -7.0049 -6.8001 -6.8000 -6.5778 -6.5775 -6.5217 -6.5215 -2.4359 -2.4352 -1.9656 -1.9644 -1.9371 -1.9367 -1.7217 -1.7200 -0.4316 -0.4297 -0.2303 -0.2295 0.1573 0.1594 0.2211 0.2230 4.5121 4.5126 6.0895 6.0902 6.8942 6.8951 7.1061 7.1071 8.9713 8.9719 k = 0.3713 0.5185 0.2427 ( 17396 PWs) bands (ev): -49.5618 -49.5618 -42.6063 -42.6063 -42.6028 -42.6028 -42.0646 -42.0646 -21.6396 -21.6395 -21.4816 -21.4816 -21.4236 -21.4236 -16.8100 -16.8096 -16.7991 -16.7990 -16.6776 -16.6775 -16.6526 -16.6522 -6.9976 -6.9974 -6.7995 -6.7994 -6.5873 -6.5870 -6.5241 -6.5239 -2.4351 -2.4344 -1.9711 -1.9699 -1.9457 -1.9453 -1.7133 -1.7117 -0.4277 -0.4256 -0.2236 -0.2228 0.1426 0.1449 0.2141 0.2160 4.5554 4.5559 6.0594 6.0601 6.9274 6.9283 7.1597 7.1608 8.9979 8.9984 k = 0.3633 0.5314 0.2578 ( 17396 PWs) bands (ev): -49.5618 -49.5618 -42.6062 -42.6062 -42.6029 -42.6029 -42.0646 -42.0646 -21.6396 -21.6395 -21.4816 -21.4816 -21.4236 -21.4235 -16.8072 -16.8068 -16.7960 -16.7958 -16.6818 -16.6818 -16.6541 -16.6537 -6.9897 -6.9894 -6.7990 -6.7988 -6.5972 -6.5968 -6.5265 -6.5263 -2.4345 -2.4338 -1.9763 -1.9752 -1.9542 -1.9539 -1.7050 -1.7034 -0.4241 -0.4220 -0.2165 -0.2157 0.1278 0.1302 0.2071 0.2091 4.5999 4.6004 6.0281 6.0288 6.9614 6.9624 7.2142 7.2153 9.0228 9.0232 k = 0.3552 0.5442 0.2730 ( 17400 PWs) bands (ev): -49.5618 -49.5618 -42.6061 -42.6061 -42.6029 -42.6029 -42.0647 -42.0647 -21.6396 -21.6396 -21.4817 -21.4817 -21.4236 -21.4235 -16.8044 -16.8040 -16.7927 -16.7925 -16.6861 -16.6861 -16.6556 -16.6552 -6.9815 -6.9812 -6.7984 -6.7983 -6.6073 -6.6069 -6.5289 -6.5287 -2.4339 -2.4332 -1.9812 -1.9801 -1.9625 -1.9622 -1.6968 -1.6953 -0.4209 -0.4188 -0.2090 -0.2081 0.1130 0.1154 0.2002 0.2022 4.6450 4.6455 5.9962 5.9968 6.9960 6.9969 7.2692 7.2702 9.0458 9.0459 k = 0.3472 0.5571 0.2881 ( 17404 PWs) bands (ev): -49.5618 -49.5618 -42.6060 -42.6060 -42.6030 -42.6030 -42.0647 -42.0647 -21.6396 -21.6396 -21.4817 -21.4817 -21.4236 -21.4235 -16.8016 -16.8012 -16.7893 -16.7891 -16.6905 -16.6904 -16.6572 -16.6568 -6.9731 -6.9728 -6.7978 -6.7977 -6.6176 -6.6172 -6.5312 -6.5311 -2.4335 -2.4329 -1.9858 -1.9848 -1.9705 -1.9702 -1.6888 -1.6872 -0.4182 -0.4160 -0.2010 -0.2001 0.0982 0.1006 0.1934 0.1954 4.6903 4.6908 5.9640 5.9646 7.0309 7.0318 7.3240 7.3251 9.0665 9.0666 k = 0.3391 0.5699 0.3033 ( 17398 PWs) bands (ev): -49.5618 -49.5618 -42.6058 -42.6058 -42.6031 -42.6031 -42.0648 -42.0648 -21.6396 -21.6396 -21.4817 -21.4817 -21.4236 -21.4235 -16.7989 -16.7985 -16.7858 -16.7856 -16.6948 -16.6948 -16.6588 -16.6584 -6.9644 -6.9641 -6.7973 -6.7972 -6.6279 -6.6276 -6.5335 -6.5334 -2.4333 -2.4326 -1.9902 -1.9891 -1.9781 -1.9778 -1.6809 -1.6794 -0.4161 -0.4139 -0.1926 -0.1916 0.0837 0.0861 0.1869 0.1888 4.7350 4.7355 5.9323 5.9328 7.0657 7.0666 7.3782 7.3793 9.0849 9.0850 k = 0.3311 0.5828 0.3185 ( 17390 PWs) bands (ev): -49.5618 -49.5618 -42.6057 -42.6057 -42.6031 -42.6031 -42.0648 -42.0648 -21.6396 -21.6396 -21.4817 -21.4817 -21.4235 -21.4235 -16.7964 -16.7960 -16.7822 -16.7819 -16.6991 -16.6990 -16.6605 -16.6601 -6.9557 -6.9554 -6.7969 -6.7968 -6.6383 -6.6380 -6.5357 -6.5356 -2.4332 -2.4326 -1.9943 -1.9933 -1.9850 -1.9848 -1.6731 -1.6717 -0.4146 -0.4124 -0.1837 -0.1827 0.0694 0.0718 0.1806 0.1825 4.7784 4.7789 5.9018 5.9023 7.1002 7.1010 7.4312 7.4323 9.1009 9.1011 k = 0.3230 0.5956 0.3336 ( 17396 PWs) bands (ev): -49.5618 -49.5618 -42.6056 -42.6056 -42.6032 -42.6032 -42.0649 -42.0649 -21.6396 -21.6396 -21.4818 -21.4818 -21.4235 -21.4235 -16.7941 -16.7937 -16.7785 -16.7782 -16.7031 -16.7030 -16.6622 -16.6618 -6.9469 -6.9466 -6.7964 -6.7963 -6.6486 -6.6483 -6.5378 -6.5377 -2.4333 -2.4328 -1.9985 -1.9975 -1.9911 -1.9909 -1.6656 -1.6642 -0.4138 -0.4116 -0.1744 -0.1734 0.0555 0.0579 0.1747 0.1765 4.8194 4.8198 5.8737 5.8741 7.1339 7.1347 7.4824 7.4835 9.1142 9.1145 k = 0.3150 0.6085 0.3488 ( 17398 PWs) bands (ev): -49.5618 -49.5618 -42.6055 -42.6055 -42.6033 -42.6033 -42.0649 -42.0649 -21.6397 -21.6396 -21.4818 -21.4818 -21.4235 -21.4235 -16.7921 -16.7917 -16.7748 -16.7745 -16.7069 -16.7068 -16.6639 -16.6635 -6.9382 -6.9379 -6.7961 -6.7960 -6.6588 -6.6584 -6.5398 -6.5397 -2.4337 -2.4332 -2.0029 -2.0020 -1.9960 -1.9958 -1.6582 -1.6569 -0.4137 -0.4115 -0.1647 -0.1636 0.0422 0.0445 0.1691 0.1708 4.8566 4.8570 5.8493 5.8497 7.1664 7.1672 7.5310 7.5322 9.1244 9.1248 k = 0.3070 0.6214 0.3640 ( 17410 PWs) bands (ev): -49.5618 -49.5618 -42.6054 -42.6054 -42.6034 -42.6034 -42.0650 -42.0650 -21.6397 -21.6397 -21.4818 -21.4818 -21.4235 -21.4235 -16.7906 -16.7902 -16.7710 -16.7707 -16.7102 -16.7102 -16.6657 -16.6653 -6.9296 -6.9293 -6.7958 -6.7957 -6.6685 -6.6682 -6.5416 -6.5415 -2.4343 -2.4339 -2.0075 -2.0069 -1.9997 -1.9993 -1.6511 -1.6498 -0.4144 -0.4122 -0.1545 -0.1535 0.0294 0.0317 0.1639 0.1655 4.8885 4.8888 5.8302 5.8306 7.1974 7.1982 7.5766 7.5777 9.1313 9.1318 k = 0.2989 0.6342 0.3791 ( 17420 PWs) bands (ev): -49.5618 -49.5618 -42.6053 -42.6053 -42.6035 -42.6035 -42.0650 -42.0650 -21.6397 -21.6397 -21.4818 -21.4818 -21.4235 -21.4235 -16.7897 -16.7893 -16.7671 -16.7668 -16.7130 -16.7130 -16.6674 -16.6670 -6.9214 -6.9211 -6.7956 -6.7955 -6.6778 -6.6775 -6.5432 -6.5431 -2.4352 -2.4349 -2.0121 -2.0116 -2.0023 -2.0019 -1.6442 -1.6430 -0.4159 -0.4137 -0.1440 -0.1429 0.0175 0.0196 0.1591 0.1606 4.9133 4.9137 5.8182 5.8185 7.2264 7.2272 7.6183 7.6195 9.1345 9.1350 k = 0.2989 0.6342 0.3791 ( 17420 PWs) bands (ev): -49.5618 -49.5618 -42.6053 -42.6053 -42.6035 -42.6035 -42.0650 -42.0650 -21.6397 -21.6397 -21.4818 -21.4818 -21.4235 -21.4235 -16.7897 -16.7893 -16.7671 -16.7668 -16.7130 -16.7130 -16.6674 -16.6670 -6.9214 -6.9211 -6.7956 -6.7955 -6.6778 -6.6775 -6.5432 -6.5431 -2.4352 -2.4349 -2.0121 -2.0116 -2.0023 -2.0019 -1.6442 -1.6430 -0.4159 -0.4137 -0.1440 -0.1429 0.0175 0.0196 0.1591 0.1606 4.9133 4.9137 5.8182 5.8185 7.2264 7.2272 7.6183 7.6195 9.1345 9.1350 k = 0.2802 0.6293 0.3849 ( 17422 PWs) bands (ev): -49.5618 -49.5618 -42.6052 -42.6052 -42.6035 -42.6035 -42.0650 -42.0650 -21.6397 -21.6397 -21.4818 -21.4818 -21.4235 -21.4235 -16.7897 -16.7894 -16.7654 -16.7651 -16.7139 -16.7138 -16.6681 -16.6677 -6.9184 -6.9181 -6.7956 -6.7955 -6.6811 -6.6808 -6.5437 -6.5437 -2.4357 -2.4354 -2.0137 -2.0133 -2.0032 -2.0027 -1.6415 -1.6403 -0.4169 -0.4147 -0.1396 -0.1385 0.0131 0.0152 0.1574 0.1589 4.9198 4.9201 5.8164 5.8168 7.2368 7.2376 7.6345 7.6356 9.1319 9.1325 k = 0.2616 0.6244 0.3907 ( 17418 PWs) bands (ev): -49.5618 -49.5618 -42.6052 -42.6052 -42.6035 -42.6035 -42.0650 -42.0650 -21.6397 -21.6397 -21.4818 -21.4818 -21.4235 -21.4235 -16.7902 -16.7899 -16.7635 -16.7631 -16.7145 -16.7144 -16.6689 -16.6685 -6.9154 -6.9151 -6.7956 -6.7955 -6.6844 -6.6841 -6.5443 -6.5442 -2.4363 -2.4360 -2.0154 -2.0150 -2.0039 -2.0035 -1.6385 -1.6374 -0.4186 -0.4164 -0.1346 -0.1335 0.0088 0.0109 0.1557 0.1571 4.9237 4.9240 5.8169 5.8173 7.2470 7.2478 7.6529 7.6540 9.1227 9.1233 k = 0.2429 0.6196 0.3964 ( 17420 PWs) bands (ev): -49.5618 -49.5618 -42.6051 -42.6051 -42.6036 -42.6036 -42.0650 -42.0650 -21.6397 -21.6397 -21.4818 -21.4818 -21.4235 -21.4235 -16.7910 -16.7908 -16.7614 -16.7611 -16.7149 -16.7148 -16.6697 -16.6693 -6.9125 -6.9122 -6.7957 -6.7956 -6.6875 -6.6872 -6.5448 -6.5447 -2.4371 -2.4368 -2.0170 -2.0166 -2.0047 -2.0042 -1.6354 -1.6343 -0.4207 -0.4186 -0.1292 -0.1282 0.0047 0.0067 0.1541 0.1554 4.9254 4.9257 5.8191 5.8194 7.2568 7.2576 7.6736 7.6748 9.1066 9.1072 k = 0.2242 0.6147 0.4022 ( 17411 PWs) bands (ev): -49.5618 -49.5618 -42.6051 -42.6051 -42.6036 -42.6036 -42.0650 -42.0650 -21.6397 -21.6397 -21.4818 -21.4818 -21.4235 -21.4235 -16.7920 -16.7917 -16.7594 -16.7591 -16.7150 -16.7149 -16.6705 -16.6701 -6.9097 -6.9094 -6.7959 -6.7958 -6.6904 -6.6901 -6.5453 -6.5452 -2.4379 -2.4376 -2.0185 -2.0182 -2.0054 -2.0049 -1.6320 -1.6310 -0.4232 -0.4212 -0.1235 -0.1225 0.0006 0.0026 0.1525 0.1537 4.9254 4.9256 5.8226 5.8229 7.2661 7.2668 7.6969 7.6980 9.0835 9.0841 k = 0.2055 0.6098 0.4080 ( 17409 PWs) bands (ev): -49.5618 -49.5618 -42.6051 -42.6051 -42.6036 -42.6036 -42.0651 -42.0651 -21.6397 -21.6397 -21.4818 -21.4818 -21.4235 -21.4235 -16.7930 -16.7927 -16.7576 -16.7573 -16.7148 -16.7147 -16.6715 -16.6711 -6.9070 -6.9067 -6.7961 -6.7960 -6.6932 -6.6929 -6.5457 -6.5457 -2.4388 -2.4386 -2.0200 -2.0196 -2.0061 -2.0056 -1.6286 -1.6276 -0.4259 -0.4240 -0.1176 -0.1166 -0.0034 -0.0015 0.1509 0.1521 4.9239 4.9242 5.8269 5.8272 7.2747 7.2754 7.7228 7.7238 9.0539 9.0545 k = 0.1868 0.6049 0.4137 ( 17410 PWs) bands (ev): -49.5618 -49.5618 -42.6050 -42.6050 -42.6036 -42.6036 -42.0651 -42.0651 -21.6397 -21.6397 -21.4818 -21.4818 -21.4235 -21.4235 -16.7940 -16.7937 -16.7560 -16.7557 -16.7143 -16.7143 -16.6724 -16.6721 -6.9044 -6.9042 -6.7963 -6.7962 -6.6958 -6.6956 -6.5462 -6.5461 -2.4397 -2.4395 -2.0213 -2.0209 -2.0068 -2.0063 -1.6251 -1.6242 -0.4287 -0.4270 -0.1116 -0.1105 -0.0073 -0.0055 0.1495 0.1506 4.9215 4.9217 5.8317 5.8320 7.2826 7.2832 7.7510 7.7520 9.0187 9.0194 k = 0.1681 0.6000 0.4195 ( 17415 PWs) bands (ev): -49.5618 -49.5618 -42.6050 -42.6050 -42.6037 -42.6037 -42.0651 -42.0651 -21.6397 -21.6397 -21.4818 -21.4818 -21.4235 -21.4235 -16.7949 -16.7947 -16.7547 -16.7544 -16.7136 -16.7135 -16.6734 -16.6731 -6.9019 -6.9017 -6.7965 -6.7965 -6.6983 -6.6980 -6.5465 -6.5465 -2.4407 -2.4405 -2.0225 -2.0222 -2.0074 -2.0070 -1.6217 -1.6209 -0.4316 -0.4301 -0.1056 -0.1045 -0.0112 -0.0094 0.1481 0.1491 4.9183 4.9185 5.8367 5.8369 7.2897 7.2902 7.7815 7.7825 8.9792 8.9799 k = 0.1495 0.5951 0.4253 ( 17409 PWs) bands (ev): -49.5618 -49.5618 -42.6050 -42.6050 -42.6037 -42.6037 -42.0651 -42.0651 -21.6397 -21.6397 -21.4818 -21.4818 -21.4235 -21.4235 -16.7958 -16.7957 -16.7536 -16.7533 -16.7127 -16.7126 -16.6745 -16.6741 -6.8997 -6.8995 -6.7968 -6.7967 -6.7005 -6.7003 -6.5469 -6.5469 -2.4416 -2.4414 -2.0236 -2.0233 -2.0081 -2.0077 -1.6184 -1.6177 -0.4345 -0.4330 -0.0996 -0.0986 -0.0150 -0.0132 0.1469 0.1478 4.9148 4.9149 5.8416 5.8418 7.2959 7.2964 7.8138 7.8147 8.9366 8.9372 k = 0.1308 0.5902 0.4310 ( 17413 PWs) bands (ev): -49.5618 -49.5618 -42.6049 -42.6049 -42.6037 -42.6037 -42.0651 -42.0651 -21.6397 -21.6397 -21.4819 -21.4819 -21.4235 -21.4235 -16.7967 -16.7965 -16.7527 -16.7525 -16.7115 -16.7115 -16.6756 -16.6752 -6.8976 -6.8974 -6.7971 -6.7970 -6.7025 -6.7023 -6.5472 -6.5472 -2.4424 -2.4423 -2.0246 -2.0243 -2.0086 -2.0083 -1.6153 -1.6146 -0.4372 -0.4359 -0.0938 -0.0928 -0.0187 -0.0170 0.1457 0.1466 4.9111 4.9112 5.8462 5.8465 7.3013 7.3017 7.8474 7.8482 8.8922 8.8929 k = 0.1121 0.5853 0.4368 ( 17414 PWs) bands (ev): -49.5618 -49.5618 -42.6049 -42.6049 -42.6037 -42.6037 -42.0651 -42.0651 -21.6397 -21.6397 -21.4819 -21.4819 -21.4235 -21.4235 -16.7974 -16.7973 -16.7520 -16.7518 -16.7103 -16.7102 -16.6766 -16.6763 -6.8957 -6.8956 -6.7974 -6.7973 -6.7042 -6.7041 -6.5475 -6.5475 -2.4432 -2.4431 -2.0254 -2.0251 -2.0092 -2.0089 -1.6125 -1.6119 -0.4396 -0.4385 -0.0883 -0.0872 -0.0223 -0.0207 0.1447 0.1455 4.9075 4.9076 5.8505 5.8507 7.3059 7.3062 7.8815 7.8822 8.8477 8.8483 k = 0.0934 0.5805 0.4426 ( 17414 PWs) bands (ev): -49.5618 -49.5618 -42.6049 -42.6049 -42.6037 -42.6037 -42.0651 -42.0651 -21.6397 -21.6397 -21.4819 -21.4819 -21.4235 -21.4235 -16.7981 -16.7979 -16.7516 -16.7514 -16.7091 -16.7090 -16.6776 -16.6774 -6.8941 -6.8939 -6.7977 -6.7976 -6.7057 -6.7056 -6.5477 -6.5477 -2.4439 -2.4438 -2.0261 -2.0259 -2.0097 -2.0095 -1.6100 -1.6094 -0.4418 -0.4409 -0.0830 -0.0820 -0.0257 -0.0243 0.1439 0.1445 4.9042 4.9043 5.8542 5.8544 7.3096 7.3099 7.9150 7.9157 8.8047 8.8052 k = 0.0747 0.5756 0.4483 ( 17412 PWs) bands (ev): -49.5618 -49.5618 -42.6049 -42.6049 -42.6038 -42.6038 -42.0651 -42.0651 -21.6397 -21.6397 -21.4819 -21.4819 -21.4235 -21.4235 -16.7986 -16.7985 -16.7512 -16.7511 -16.7079 -16.7078 -16.6786 -16.6783 -6.8927 -6.8926 -6.7979 -6.7979 -6.7070 -6.7069 -6.5479 -6.5479 -2.4445 -2.4444 -2.0267 -2.0265 -2.0101 -2.0099 -1.6078 -1.6074 -0.4437 -0.4429 -0.0781 -0.0772 -0.0290 -0.0277 0.1432 0.1437 4.9013 4.9014 5.8573 5.8574 7.3126 7.3129 7.9466 7.9472 8.7648 8.7653 k = 0.0560 0.5707 0.4541 ( 17410 PWs) bands (ev): -49.5618 -49.5618 -42.6048 -42.6048 -42.6038 -42.6038 -42.0651 -42.0651 -21.6397 -21.6397 -21.4819 -21.4819 -21.4235 -21.4235 -16.7990 -16.7989 -16.7510 -16.7509 -16.7068 -16.7067 -16.6794 -16.6792 -6.8916 -6.8915 -6.7981 -6.7981 -6.7079 -6.7079 -6.5481 -6.5480 -2.4450 -2.4449 -2.0271 -2.0270 -2.0104 -2.0103 -1.6060 -1.6057 -0.4451 -0.4446 -0.0738 -0.0730 -0.0320 -0.0309 0.1426 0.1430 4.8989 4.8990 5.8598 5.8599 7.3149 7.3151 7.9745 7.9750 8.7302 8.7306 k = 0.0374 0.5658 0.4599 ( 17413 PWs) bands (ev): -49.5618 -49.5618 -42.6048 -42.6048 -42.6038 -42.6038 -42.0651 -42.0651 -21.6397 -21.6397 -21.4819 -21.4819 -21.4235 -21.4235 -16.7993 -16.7993 -16.7508 -16.7507 -16.7059 -16.7059 -16.6800 -16.6799 -6.8908 -6.8907 -6.7983 -6.7982 -6.7086 -6.7086 -6.5482 -6.5482 -2.4453 -2.4453 -2.0274 -2.0273 -2.0106 -2.0106 -1.6048 -1.6046 -0.4462 -0.4458 -0.0703 -0.0696 -0.0345 -0.0336 0.1422 0.1425 4.8972 4.8972 5.8616 5.8616 7.3165 7.3166 7.9968 7.9971 8.7030 8.7033 k = 0.0187 0.5609 0.4656 ( 17416 PWs) bands (ev): -49.5618 -49.5618 -42.6048 -42.6048 -42.6038 -42.6038 -42.0651 -42.0651 -21.6397 -21.6397 -21.4819 -21.4819 -21.4235 -21.4235 -16.7995 -16.7995 -16.7507 -16.7507 -16.7054 -16.7053 -16.6804 -16.6804 -6.8903 -6.8903 -6.7984 -6.7983 -6.7091 -6.7090 -6.5482 -6.5482 -2.4455 -2.4455 -2.0276 -2.0276 -2.0108 -2.0107 -1.6040 -1.6039 -0.4467 -0.4466 -0.0678 -0.0674 -0.0361 -0.0356 0.1420 0.1422 4.8961 4.8961 5.8627 5.8627 7.3175 7.3175 8.0113 8.0115 8.6856 8.6858 k = 0.0000 0.5560 0.4714 ( 17418 PWs) bands (ev): -49.5618 -49.5618 -42.6048 -42.6048 -42.6038 -42.6038 -42.0651 -42.0651 -21.6397 -21.6397 -21.4819 -21.4819 -21.4235 -21.4235 -16.7995 -16.7995 -16.7507 -16.7507 -16.7052 -16.7052 -16.6805 -16.6805 -6.8901 -6.8901 -6.7984 -6.7984 -6.7092 -6.7092 -6.5482 -6.5482 -2.4456 -2.4456 -2.0277 -2.0277 -2.0108 -2.0108 -1.6036 -1.6036 -0.4469 -0.4469 -0.0668 -0.0668 -0.0365 -0.0365 0.1420 0.1420 4.8958 4.8958 5.8630 5.8630 7.3178 7.3178 8.0164 8.0164 8.6797 8.6797 k = 0.0000 0.5560 0.4714 ( 17418 PWs) bands (ev): -49.5618 -49.5618 -42.6048 -42.6048 -42.6038 -42.6038 -42.0651 -42.0651 -21.6397 -21.6397 -21.4819 -21.4819 -21.4235 -21.4235 -16.7995 -16.7995 -16.7507 -16.7507 -16.7052 -16.7052 -16.6805 -16.6805 -6.8901 -6.8901 -6.7984 -6.7984 -6.7092 -6.7092 -6.5482 -6.5482 -2.4456 -2.4456 -2.0277 -2.0277 -2.0108 -2.0108 -1.6036 -1.6036 -0.4469 -0.4469 -0.0668 -0.0668 -0.0365 -0.0365 0.1420 0.1420 4.8958 4.8958 5.8630 5.8630 7.3178 7.3178 8.0164 8.0164 8.6797 8.6797 k = 0.0078 0.5435 0.4861 ( 17420 PWs) bands (ev): -49.5618 -49.5618 -42.6048 -42.6048 -42.6038 -42.6038 -42.0651 -42.0651 -21.6397 -21.6397 -21.4819 -21.4819 -21.4235 -21.4235 -16.7995 -16.7994 -16.7506 -16.7506 -16.7052 -16.7052 -16.6806 -16.6806 -6.8937 -6.8936 -6.7950 -6.7948 -6.7096 -6.7096 -6.5479 -6.5478 -2.4456 -2.4454 -2.0289 -2.0285 -2.0111 -2.0107 -1.6034 -1.6033 -0.4476 -0.4474 -0.0663 -0.0659 -0.0372 -0.0364 0.1430 0.1434 4.8973 4.8973 5.8637 5.8637 7.3190 7.3191 8.0165 8.0166 8.6794 8.6795 k = 0.0156 0.5310 0.5008 ( 17412 PWs) bands (ev): -49.5618 -49.5618 -42.6048 -42.6048 -42.6038 -42.6038 -42.0651 -42.0651 -21.6397 -21.6397 -21.4819 -21.4819 -21.4235 -21.4235 -16.7993 -16.7992 -16.7505 -16.7505 -16.7052 -16.7052 -16.6808 -16.6808 -6.9032 -6.9030 -6.7859 -6.7857 -6.7107 -6.7107 -6.5467 -6.5467 -2.4455 -2.4452 -2.0320 -2.0312 -2.0116 -2.0109 -1.6025 -1.6023 -0.4496 -0.4492 -0.0650 -0.0641 -0.0380 -0.0365 0.1462 0.1469 4.9018 4.9019 5.8657 5.8658 7.3227 7.3228 8.0170 8.0172 8.6788 8.6790 k = 0.0234 0.5186 0.5156 ( 17410 PWs) bands (ev): -49.5618 -49.5618 -42.6048 -42.6048 -42.6038 -42.6038 -42.0651 -42.0651 -21.6397 -21.6397 -21.4819 -21.4819 -21.4235 -21.4235 -16.7990 -16.7989 -16.7504 -16.7504 -16.7053 -16.7053 -16.6811 -16.6810 -6.9161 -6.9159 -6.7735 -6.7733 -6.7125 -6.7124 -6.5449 -6.5448 -2.4453 -2.4449 -2.0366 -2.0356 -2.0127 -2.0117 -1.6010 -1.6007 -0.4527 -0.4520 -0.0645 -0.0632 -0.0370 -0.0351 0.1514 0.1525 4.9094 4.9095 5.8691 5.8692 7.3287 7.3289 8.0177 8.0179 8.6777 8.6780 k = 0.0312 0.5061 0.5303 ( 17406 PWs) bands (ev): -49.5618 -49.5618 -42.6048 -42.6048 -42.6038 -42.6038 -42.0651 -42.0651 -21.6397 -21.6397 -21.4819 -21.4819 -21.4235 -21.4235 -16.7985 -16.7984 -16.7502 -16.7501 -16.7054 -16.7054 -16.6815 -16.6814 -6.9309 -6.9307 -6.7599 -6.7596 -6.7144 -6.7143 -6.5424 -6.5423 -2.4449 -2.4445 -2.0424 -2.0413 -2.0145 -2.0134 -1.5989 -1.5986 -0.4568 -0.4559 -0.0665 -0.0651 -0.0321 -0.0302 0.1584 0.1598 4.9200 4.9202 5.8739 5.8740 7.3369 7.3372 8.0184 8.0187 8.6759 8.6763 k = 0.0391 0.4936 0.5450 ( 17398 PWs) bands (ev): -49.5618 -49.5618 -42.6048 -42.6048 -42.6038 -42.6038 -42.0652 -42.0652 -21.6397 -21.6397 -21.4819 -21.4819 -21.4235 -21.4234 -16.7979 -16.7978 -16.7499 -16.7498 -16.7055 -16.7055 -16.6820 -16.6819 -6.9467 -6.9465 -6.7469 -6.7466 -6.7155 -6.7153 -6.5393 -6.5393 -2.4445 -2.4439 -2.0492 -2.0481 -2.0172 -2.0160 -1.5963 -1.5959 -0.4616 -0.4605 -0.0713 -0.0699 -0.0233 -0.0217 0.1668 0.1683 4.9336 4.9338 5.8800 5.8801 7.3472 7.3475 8.0190 8.0194 8.6733 8.6737 k = 0.0469 0.4811 0.5598 ( 17408 PWs) bands (ev): -49.5618 -49.5618 -42.6047 -42.6047 -42.6038 -42.6038 -42.0652 -42.0652 -21.6397 -21.6397 -21.4819 -21.4819 -21.4235 -21.4234 -16.7972 -16.7971 -16.7496 -16.7495 -16.7057 -16.7056 -16.6827 -16.6826 -6.9630 -6.9627 -6.7384 -6.7380 -6.7123 -6.7120 -6.5358 -6.5357 -2.4439 -2.4432 -2.0570 -2.0557 -2.0209 -2.0197 -1.5933 -1.5927 -0.4670 -0.4657 -0.0781 -0.0765 -0.0117 -0.0102 0.1763 0.1780 4.9502 4.9505 5.8875 5.8876 7.3592 7.3596 8.0190 8.0195 8.6695 8.6700 k = 0.0547 0.4686 0.5745 ( 17404 PWs) bands (ev): -49.5618 -49.5618 -42.6047 -42.6047 -42.6038 -42.6038 -42.0652 -42.0652 -21.6397 -21.6397 -21.4819 -21.4819 -21.4235 -21.4234 -16.7964 -16.7963 -16.7492 -16.7491 -16.7058 -16.7058 -16.6834 -16.6833 -6.9794 -6.9791 -6.7373 -6.7370 -6.7019 -6.7016 -6.5319 -6.5318 -2.4433 -2.4424 -2.0654 -2.0641 -2.0256 -2.0242 -1.5897 -1.5891 -0.4727 -0.4713 -0.0859 -0.0841 0.0020 0.0033 0.1866 0.1884 4.9698 4.9701 5.8964 5.8965 7.3726 7.3731 8.0182 8.0187 8.6642 8.6647 k = 0.0625 0.4561 0.5892 ( 17414 PWs) bands (ev): -49.5618 -49.5618 -42.6047 -42.6047 -42.6038 -42.6038 -42.0653 -42.0653 -21.6398 -21.6397 -21.4819 -21.4819 -21.4235 -21.4234 -16.7955 -16.7953 -16.7487 -16.7486 -16.7061 -16.7060 -16.6843 -16.6841 -6.9958 -6.9955 -6.7404 -6.7402 -6.6878 -6.6875 -6.5278 -6.5277 -2.4425 -2.4415 -2.0745 -2.0732 -2.0311 -2.0297 -1.5858 -1.5852 -0.4787 -0.4772 -0.0943 -0.0924 0.0171 0.0183 0.1975 0.1993 4.9923 4.9926 5.9066 5.9068 7.3871 7.3876 8.0161 8.0167 8.6570 8.6576 k = 0.0703 0.4436 0.6040 ( 17422 PWs) bands (ev): -49.5618 -49.5618 -42.6046 -42.6046 -42.6038 -42.6038 -42.0653 -42.0653 -21.6398 -21.6397 -21.4819 -21.4819 -21.4234 -21.4234 -16.7944 -16.7942 -16.7482 -16.7481 -16.7063 -16.7063 -16.6852 -16.6851 -7.0120 -7.0117 -6.7449 -6.7448 -6.6726 -6.6723 -6.5234 -6.5233 -2.4415 -2.4405 -2.0841 -2.0828 -2.0376 -2.0361 -1.5816 -1.5809 -0.4847 -0.4831 -0.1029 -0.1009 0.0333 0.0345 0.2088 0.2107 5.0177 5.0180 5.9182 5.9184 7.4019 7.4025 8.0123 8.0128 8.6476 8.6482 k = 0.0781 0.4311 0.6187 ( 17412 PWs) bands (ev): -49.5618 -49.5618 -42.6046 -42.6046 -42.6038 -42.6038 -42.0654 -42.0654 -21.6398 -21.6398 -21.4820 -21.4819 -21.4234 -21.4234 -16.7932 -16.7930 -16.7477 -16.7475 -16.7066 -16.7065 -16.6863 -16.6861 -7.0280 -7.0277 -6.7502 -6.7500 -6.6573 -6.6570 -6.5189 -6.5188 -2.4405 -2.4393 -2.0941 -2.0927 -2.0448 -2.0432 -1.5772 -1.5764 -0.4907 -0.4889 -0.1117 -0.1096 0.0503 0.0515 0.2203 0.2223 5.0459 5.0463 5.9312 5.9314 7.4165 7.4172 8.0061 8.0068 8.6358 8.6364 k = 0.0859 0.4187 0.6334 ( 17420 PWs) bands (ev): -49.5618 -49.5618 -42.6046 -42.6046 -42.6038 -42.6038 -42.0654 -42.0654 -21.6398 -21.6398 -21.4820 -21.4820 -21.4234 -21.4234 -16.7919 -16.7917 -16.7471 -16.7469 -16.7069 -16.7068 -16.6874 -16.6873 -7.0437 -7.0434 -6.7558 -6.7557 -6.6421 -6.6418 -6.5143 -6.5142 -2.4393 -2.4381 -2.1045 -2.1030 -2.0527 -2.0511 -1.5725 -1.5717 -0.4965 -0.4946 -0.1204 -0.1182 0.0678 0.0690 0.2320 0.2340 5.0770 5.0773 5.9455 5.9457 7.4299 7.4307 7.9975 7.9981 8.6216 8.6223 k = 0.0938 0.4062 0.6482 ( 17416 PWs) bands (ev): -49.5618 -49.5618 -42.6045 -42.6045 -42.6038 -42.6038 -42.0654 -42.0654 -21.6398 -21.6398 -21.4820 -21.4820 -21.4234 -21.4234 -16.7906 -16.7903 -16.7464 -16.7462 -16.7072 -16.7071 -16.6887 -16.6885 -7.0590 -7.0587 -6.7616 -6.7615 -6.6272 -6.6269 -6.5097 -6.5096 -2.4379 -2.4366 -2.1150 -2.1136 -2.0613 -2.0596 -1.5677 -1.5669 -0.5022 -0.5002 -0.1290 -0.1267 0.0857 0.0869 0.2437 0.2457 5.1107 5.1111 5.9611 5.9613 7.4411 7.4419 7.9861 7.9867 8.6054 8.6060 k = 0.1016 0.3937 0.6629 ( 17412 PWs) bands (ev): -49.5618 -49.5618 -42.6045 -42.6045 -42.6038 -42.6038 -42.0655 -42.0655 -21.6398 -21.6398 -21.4820 -21.4820 -21.4234 -21.4234 -16.7891 -16.7889 -16.7457 -16.7455 -16.7075 -16.7075 -16.6900 -16.6898 -7.0738 -7.0736 -6.7675 -6.7674 -6.6127 -6.6125 -6.5050 -6.5049 -2.4364 -2.4351 -2.1258 -2.1243 -2.0703 -2.0685 -1.5628 -1.5619 -0.5075 -0.5055 -0.1373 -0.1350 0.1036 0.1048 0.2554 0.2573 5.1472 5.1476 5.9779 5.9781 7.4486 7.4495 7.9725 7.9731 8.5875 8.5881 k = 0.1094 0.3812 0.6776 ( 17408 PWs) bands (ev): -49.5618 -49.5618 -42.6044 -42.6044 -42.6038 -42.6038 -42.0656 -42.0656 -21.6398 -21.6398 -21.4820 -21.4820 -21.4234 -21.4234 -16.7875 -16.7873 -16.7450 -16.7448 -16.7079 -16.7078 -16.6915 -16.6912 -7.0881 -7.0879 -6.7735 -6.7733 -6.5987 -6.5985 -6.5005 -6.5004 -2.4348 -2.4333 -2.1365 -2.1350 -2.0797 -2.0779 -1.5579 -1.5570 -0.5126 -0.5105 -0.1453 -0.1431 0.1215 0.1227 0.2669 0.2688 5.1862 5.1866 5.9959 5.9962 7.4508 7.4517 7.9574 7.9579 8.5681 8.5688 k = 0.1172 0.3687 0.6923 ( 17406 PWs) bands (ev): -49.5618 -49.5618 -42.6044 -42.6044 -42.6038 -42.6038 -42.0656 -42.0656 -21.6398 -21.6398 -21.4821 -21.4820 -21.4234 -21.4234 -16.7859 -16.7856 -16.7442 -16.7440 -16.7083 -16.7082 -16.6930 -16.6927 -7.1020 -7.1017 -6.7793 -6.7792 -6.5853 -6.5851 -6.4959 -6.4958 -2.4330 -2.4315 -2.1473 -2.1457 -2.0895 -2.0876 -1.5530 -1.5521 -0.5174 -0.5152 -0.1530 -0.1507 0.1391 0.1403 0.2782 0.2800 5.2277 5.2282 6.0151 6.0154 7.4459 7.4468 7.9423 7.9428 8.5471 8.5479 k = 0.1250 0.3562 0.7071 ( 17400 PWs) bands (ev): -49.5618 -49.5618 -42.6043 -42.6043 -42.6038 -42.6038 -42.0657 -42.0657 -21.6399 -21.6398 -21.4821 -21.4821 -21.4234 -21.4234 -16.7842 -16.7839 -16.7434 -16.7432 -16.7087 -16.7086 -16.6946 -16.6943 -7.1152 -7.1150 -6.7851 -6.7850 -6.5725 -6.5723 -6.4915 -6.4914 -2.4311 -2.4295 -2.1579 -2.1563 -2.0994 -2.0975 -1.5481 -1.5472 -0.5218 -0.5196 -0.1604 -0.1580 0.1563 0.1575 0.2892 0.2910 5.2717 5.2721 6.0354 6.0357 7.4322 7.4331 7.9289 7.9295 8.5239 8.5247 k = 0.1328 0.3437 0.7218 ( 17396 PWs) bands (ev): -49.5618 -49.5618 -42.6043 -42.6043 -42.6038 -42.6038 -42.0657 -42.0657 -21.6399 -21.6398 -21.4821 -21.4821 -21.4234 -21.4234 -16.7824 -16.7821 -16.7426 -16.7423 -16.7091 -16.7090 -16.6962 -16.6960 -7.1278 -7.1276 -6.7907 -6.7906 -6.5604 -6.5602 -6.4871 -6.4870 -2.4290 -2.4274 -2.1684 -2.1668 -2.1094 -2.1074 -1.5433 -1.5424 -0.5260 -0.5237 -0.1673 -0.1649 0.1729 0.1742 0.2999 0.3016 5.3179 5.3184 6.0566 6.0569 7.4084 7.4093 7.9187 7.9193 8.4975 8.4983 k = 0.1406 0.3312 0.7365 ( 17400 PWs) bands (ev): -49.5618 -49.5618 -42.6042 -42.6042 -42.6038 -42.6038 -42.0658 -42.0658 -21.6399 -21.6399 -21.4821 -21.4821 -21.4234 -21.4234 -16.7806 -16.7803 -16.7417 -16.7414 -16.7096 -16.7095 -16.6980 -16.6977 -7.1398 -7.1396 -6.7961 -6.7960 -6.5491 -6.5489 -6.4829 -6.4828 -2.4267 -2.4251 -2.1787 -2.1771 -2.1194 -2.1174 -1.5386 -1.5378 -0.5299 -0.5275 -0.1737 -0.1714 0.1889 0.1902 0.3102 0.3119 5.3663 5.3668 6.0786 6.0790 7.3743 7.3751 7.9126 7.9132 8.4670 8.4678 k = 0.1484 0.3187 0.7513 ( 17392 PWs) bands (ev): -49.5618 -49.5618 -42.6042 -42.6042 -42.6038 -42.6038 -42.0658 -42.0658 -21.6399 -21.6399 -21.4822 -21.4821 -21.4234 -21.4234 -16.7788 -16.7785 -16.7408 -16.7405 -16.7100 -16.7100 -16.6997 -16.6994 -7.1511 -7.1509 -6.8013 -6.8012 -6.5385 -6.5383 -6.4787 -6.4786 -2.4244 -2.4227 -2.1887 -2.1870 -2.1293 -2.1272 -1.5341 -1.5333 -0.5334 -0.5310 -0.1798 -0.1774 0.2041 0.2054 0.3201 0.3218 5.4168 5.4173 6.1014 6.1018 7.3306 7.3313 7.9106 7.9111 8.4321 8.4329 k = 0.1562 0.3063 0.7660 ( 17392 PWs) bands (ev): -49.5618 -49.5618 -42.6041 -42.6041 -42.6038 -42.6038 -42.0659 -42.0659 -21.6399 -21.6399 -21.4822 -21.4821 -21.4234 -21.4234 -16.7769 -16.7766 -16.7399 -16.7396 -16.7105 -16.7105 -16.7015 -16.7012 -7.1616 -7.1615 -6.8062 -6.8061 -6.5287 -6.5286 -6.4746 -6.4745 -2.4218 -2.4202 -2.1984 -2.1967 -2.1389 -2.1367 -1.5298 -1.5290 -0.5367 -0.5342 -0.1853 -0.1830 0.2185 0.2198 0.3295 0.3312 5.4690 5.4696 6.1248 6.1252 7.2787 7.2792 7.9119 7.9125 8.3933 8.3941 k = 0.1641 0.2938 0.7807 ( 17384 PWs) bands (ev): -49.5618 -49.5618 -42.6041 -42.6041 -42.6038 -42.6038 -42.0659 -42.0659 -21.6399 -21.6399 -21.4822 -21.4822 -21.4234 -21.4234 -16.7750 -16.7747 -16.7389 -16.7386 -16.7110 -16.7110 -16.7034 -16.7031 -7.1715 -7.1713 -6.8108 -6.8107 -6.5199 -6.5197 -6.4706 -6.4705 -2.4192 -2.4176 -2.2077 -2.2059 -2.1482 -2.1460 -1.5257 -1.5250 -0.5397 -0.5372 -0.1904 -0.1881 0.2319 0.2332 0.3384 0.3400 5.5229 5.5235 6.1486 6.1490 7.2201 7.2205 7.9157 7.9163 8.3517 8.3524 k = 0.1719 0.2813 0.7955 ( 17390 PWs) bands (ev): -49.5618 -49.5618 -42.6040 -42.6040 -42.6038 -42.6038 -42.0660 -42.0660 -21.6399 -21.6399 -21.4822 -21.4822 -21.4234 -21.4234 -16.7732 -16.7728 -16.7380 -16.7377 -16.7116 -16.7115 -16.7052 -16.7049 -7.1805 -7.1804 -6.8151 -6.8150 -6.5119 -6.5118 -6.4667 -6.4666 -2.4165 -2.4149 -2.2165 -2.2147 -2.1570 -2.1548 -1.5219 -1.5212 -0.5424 -0.5399 -0.1950 -0.1927 0.2443 0.2455 0.3468 0.3484 5.5781 5.5787 6.1726 6.1731 7.1564 7.1568 7.9211 7.9217 8.3084 8.3091 k = 0.1797 0.2688 0.8102 ( 17394 PWs) bands (ev): -49.5618 -49.5618 -42.6040 -42.6040 -42.6038 -42.6038 -42.0660 -42.0660 -21.6400 -21.6399 -21.4822 -21.4822 -21.4234 -21.4234 -16.7714 -16.7710 -16.7370 -16.7367 -16.7122 -16.7121 -16.7070 -16.7067 -7.1888 -7.1886 -6.8191 -6.8190 -6.5049 -6.5048 -6.4629 -6.4627 -2.4138 -2.4121 -2.2249 -2.2230 -2.1653 -2.1631 -1.5184 -1.5177 -0.5449 -0.5423 -0.1992 -0.1969 0.2556 0.2568 0.3546 0.3561 5.6343 5.6349 6.1968 6.1974 7.0891 7.0895 7.9273 7.9279 8.2651 8.2657 k = 0.1875 0.2563 0.8249 ( 17386 PWs) bands (ev): -49.5618 -49.5618 -42.6040 -42.6040 -42.6038 -42.6038 -42.0660 -42.0660 -21.6400 -21.6399 -21.4822 -21.4822 -21.4234 -21.4234 -16.7696 -16.7692 -16.7360 -16.7357 -16.7128 -16.7127 -16.7087 -16.7084 -7.1962 -7.1961 -6.8227 -6.8226 -6.4989 -6.4987 -6.4592 -6.4591 -2.4110 -2.4094 -2.2327 -2.2308 -2.1730 -2.1708 -1.5151 -1.5145 -0.5471 -0.5445 -0.2029 -0.2006 0.2657 0.2670 0.3617 0.3632 5.6910 5.6916 6.2211 6.2217 7.0195 7.0198 7.9337 7.9344 8.2228 8.2235 k = 0.1953 0.2438 0.8396 ( 17382 PWs) bands (ev): -49.5618 -49.5618 -42.6039 -42.6039 -42.6038 -42.6038 -42.0661 -42.0661 -21.6400 -21.6399 -21.4823 -21.4822 -21.4234 -21.4233 -16.7679 -16.7675 -16.7350 -16.7347 -16.7136 -16.7134 -16.7102 -16.7100 -7.2028 -7.2027 -6.8259 -6.8259 -6.4937 -6.4936 -6.4557 -6.4555 -2.4082 -2.4068 -2.2398 -2.2379 -2.1800 -2.1778 -1.5122 -1.5116 -0.5490 -0.5464 -0.2061 -0.2039 0.2747 0.2760 0.3681 0.3696 5.7475 5.7482 6.2454 6.2460 6.9485 6.9489 7.9400 7.9407 8.1828 8.1835 k = 0.2031 0.2313 0.8544 ( 17374 PWs) bands (ev): -49.5618 -49.5618 -42.6039 -42.6039 -42.6038 -42.6038 -42.0661 -42.0661 -21.6400 -21.6400 -21.4823 -21.4822 -21.4234 -21.4233 -16.7664 -16.7660 -16.7340 -16.7337 -16.7147 -16.7144 -16.7114 -16.7113 -7.2086 -7.2085 -6.8288 -6.8287 -6.4895 -6.4893 -6.4524 -6.4523 -2.4055 -2.4042 -2.2463 -2.2444 -2.1863 -2.1840 -1.5096 -1.5091 -0.5507 -0.5481 -0.2089 -0.2067 0.2826 0.2838 0.3738 0.3753 5.8030 5.8038 6.2699 6.2706 6.8772 6.8776 7.9458 7.9465 8.1460 8.1468 k = 0.2109 0.2188 0.8691 ( 17368 PWs) bands (ev): -49.5617 -49.5617 -42.6039 -42.6039 -42.6038 -42.6038 -42.0661 -42.0661 -21.6400 -21.6400 -21.4823 -21.4823 -21.4234 -21.4233 -16.7650 -16.7646 -16.7330 -16.7327 -16.7160 -16.7157 -16.7123 -16.7122 -7.2135 -7.2134 -6.8312 -6.8311 -6.4860 -6.4858 -6.4495 -6.4493 -2.4030 -2.4018 -2.2520 -2.2501 -2.1917 -2.1894 -1.5074 -1.5069 -0.5521 -0.5495 -0.2113 -0.2090 0.2892 0.2904 0.3787 0.3802 5.8562 5.8570 6.2949 6.2956 6.8065 6.8071 7.9511 7.9518 8.1132 8.1141 k = 0.2188 0.2063 0.8838 ( 17370 PWs) bands (ev): -49.5617 -49.5617 -42.6038 -42.6038 -42.6038 -42.6038 -42.0662 -42.0662 -21.6400 -21.6400 -21.4823 -21.4823 -21.4234 -21.4233 -16.7637 -16.7633 -16.7320 -16.7317 -16.7174 -16.7171 -16.7128 -16.7128 -7.2175 -7.2175 -6.8332 -6.8331 -6.4832 -6.4831 -6.4470 -6.4468 -2.4008 -2.3998 -2.2569 -2.2550 -2.1962 -2.1939 -1.5056 -1.5051 -0.5533 -0.5507 -0.2132 -0.2109 0.2946 0.2959 0.3828 0.3842 5.9054 5.9063 6.3211 6.3218 6.7375 6.7382 7.9557 7.9564 8.0852 8.0861 k = 0.2266 0.1939 0.8986 ( 17370 PWs) bands (ev): -49.5617 -49.5617 -42.6038 -42.6038 -42.6038 -42.6038 -42.0662 -42.0662 -21.6400 -21.6400 -21.4823 -21.4823 -21.4234 -21.4233 -16.7627 -16.7623 -16.7310 -16.7307 -16.7188 -16.7184 -16.7132 -16.7132 -7.2207 -7.2206 -6.8347 -6.8347 -6.4812 -6.4810 -6.4449 -6.4447 -2.3989 -2.3980 -2.2608 -2.2589 -2.1997 -2.1974 -1.5041 -1.5038 -0.5542 -0.5516 -0.2146 -0.2124 0.2988 0.3001 0.3861 0.3874 5.9482 5.9492 6.3494 6.3500 6.6716 6.6725 7.9595 7.9602 8.0626 8.0634 k = 0.2344 0.1814 0.9133 ( 17366 PWs) bands (ev): -49.5617 -49.5617 -42.6038 -42.6038 -42.6038 -42.6038 -42.0662 -42.0662 -21.6400 -21.6400 -21.4823 -21.4823 -21.4233 -21.4233 -16.7620 -16.7616 -16.7301 -16.7299 -16.7200 -16.7196 -16.7135 -16.7135 -7.2229 -7.2229 -6.8359 -6.8358 -6.4798 -6.4796 -6.4434 -6.4432 -2.3974 -2.3968 -2.2636 -2.2618 -2.2023 -2.1999 -1.5031 -1.5027 -0.5549 -0.5522 -0.2157 -0.2134 0.3018 0.3031 0.3884 0.3897 5.9818 5.9829 6.3801 6.3807 6.6111 6.6121 7.9626 7.9632 8.0458 8.0466 k = 0.2422 0.1689 0.9280 ( 17366 PWs) bands (ev): -49.5617 -49.5617 -42.6038 -42.6038 -42.6038 -42.6038 -42.0662 -42.0662 -21.6400 -21.6400 -21.4823 -21.4823 -21.4233 -21.4233 -16.7615 -16.7611 -16.7295 -16.7293 -16.7209 -16.7205 -16.7136 -16.7136 -7.2243 -7.2242 -6.8365 -6.8365 -6.4789 -6.4787 -6.4425 -6.4423 -2.3964 -2.3960 -2.2654 -2.2635 -2.2038 -2.2015 -1.5025 -1.5021 -0.5553 -0.5526 -0.2163 -0.2141 0.3036 0.3049 0.3898 0.3911 6.0034 6.0045 6.4111 6.4115 6.5608 6.5622 7.9647 7.9651 8.0355 8.0361 k = 0.2500 0.1564 0.9428 ( 17356 PWs) bands (ev): -49.5617 -49.5617 -42.6038 -42.6038 -42.6038 -42.6038 -42.0662 -42.0662 -21.6400 -21.6400 -21.4823 -21.4823 -21.4233 -21.4233 -16.7614 -16.7610 -16.7292 -16.7292 -16.7212 -16.7208 -16.7137 -16.7137 -7.2247 -7.2247 -6.8368 -6.8367 -6.4786 -6.4785 -6.4422 -6.4420 -2.3960 -2.3958 -2.2660 -2.2641 -2.2043 -2.2020 -1.5022 -1.5019 -0.5554 -0.5528 -0.2165 -0.2143 0.3042 0.3055 0.3903 0.3916 6.0109 6.0120 6.4279 6.4281 6.5372 6.5389 7.9656 7.9656 8.0320 8.0325 k = 0.2500 0.1564 0.9428 ( 17356 PWs) bands (ev): -49.5617 -49.5617 -42.6038 -42.6038 -42.6038 -42.6038 -42.0662 -42.0662 -21.6400 -21.6400 -21.4823 -21.4823 -21.4233 -21.4233 -16.7614 -16.7610 -16.7292 -16.7292 -16.7212 -16.7208 -16.7137 -16.7137 -7.2247 -7.2247 -6.8368 -6.8367 -6.4786 -6.4785 -6.4422 -6.4420 -2.3960 -2.3958 -2.2660 -2.2641 -2.2043 -2.2020 -1.5022 -1.5019 -0.5554 -0.5528 -0.2165 -0.2143 0.3042 0.3055 0.3903 0.3916 6.0109 6.0120 6.4279 6.4281 6.5372 6.5389 7.9656 7.9656 8.0320 8.0325 k = 0.2647 0.1656 0.9319 ( 17357 PWs) bands (ev): -49.5617 -49.5617 -42.6038 -42.6038 -42.6038 -42.6038 -42.0662 -42.0662 -21.6400 -21.6400 -21.4823 -21.4823 -21.4233 -21.4233 -16.7614 -16.7610 -16.7293 -16.7292 -16.7211 -16.7207 -16.7136 -16.7136 -7.2246 -7.2246 -6.8367 -6.8366 -6.4787 -6.4785 -6.4422 -6.4421 -2.3961 -2.3959 -2.2662 -2.2644 -2.2037 -2.2015 -1.5023 -1.5020 -0.5556 -0.5529 -0.2163 -0.2140 0.3041 0.3053 0.3901 0.3915 6.0089 6.0100 6.4219 6.4221 6.5453 6.5468 7.9654 7.9656 8.0328 8.0334 k = 0.2794 0.1748 0.9211 ( 17366 PWs) bands (ev): -49.5617 -49.5617 -42.6038 -42.6038 -42.6038 -42.6038 -42.0662 -42.0662 -21.6400 -21.6400 -21.4823 -21.4823 -21.4233 -21.4233 -16.7615 -16.7611 -16.7295 -16.7294 -16.7209 -16.7205 -16.7136 -16.7136 -7.2243 -7.2242 -6.8365 -6.8365 -6.4789 -6.4788 -6.4425 -6.4423 -2.3964 -2.3960 -2.2668 -2.2650 -2.2020 -2.1999 -1.5025 -1.5022 -0.5561 -0.5535 -0.2155 -0.2133 0.3036 0.3048 0.3898 0.3911 6.0036 6.0047 6.4049 6.4053 6.5672 6.5685 7.9654 7.9657 8.0349 8.0355 k = 0.2941 0.1840 0.9102 ( 17375 PWs) bands (ev): -49.5618 -49.5618 -42.6038 -42.6038 -42.6038 -42.6038 -42.0662 -42.0662 -21.6400 -21.6400 -21.4823 -21.4823 -21.4233 -21.4233 -16.7617 -16.7613 -16.7298 -16.7296 -16.7206 -16.7202 -16.7135 -16.7135 -7.2237 -7.2236 -6.8362 -6.8361 -6.4794 -6.4792 -6.4429 -6.4427 -2.3968 -2.3963 -2.2676 -2.2660 -2.1994 -2.1974 -1.5028 -1.5025 -0.5569 -0.5544 -0.2143 -0.2122 0.3028 0.3040 0.3891 0.3904 5.9963 5.9973 6.3812 6.3818 6.5975 6.5986 7.9661 7.9665 8.0374 8.0381 k = 0.3088 0.1932 0.8994 ( 17384 PWs) bands (ev): -49.5618 -49.5618 -42.6038 -42.6038 -42.6038 -42.6038 -42.0662 -42.0662 -21.6400 -21.6400 -21.4823 -21.4823 -21.4233 -21.4233 -16.7618 -16.7615 -16.7301 -16.7299 -16.7203 -16.7199 -16.7133 -16.7133 -7.2228 -7.2227 -6.8358 -6.8357 -6.4799 -6.4798 -6.4434 -6.4432 -2.3973 -2.3967 -2.2686 -2.2671 -2.1960 -2.1941 -1.5032 -1.5029 -0.5580 -0.5556 -0.2126 -0.2106 0.3017 0.3028 0.3882 0.3895 5.9878 5.9888 6.3538 6.3545 6.6323 6.6333 7.9677 7.9682 8.0402 8.0409 k = 0.3235 0.2024 0.8885 ( 17374 PWs) bands (ev): -49.5618 -49.5618 -42.6038 -42.6038 -42.6038 -42.6038 -42.0662 -42.0662 -21.6400 -21.6400 -21.4823 -21.4823 -21.4233 -21.4233 -16.7621 -16.7617 -16.7305 -16.7303 -16.7200 -16.7197 -16.7131 -16.7131 -7.2217 -7.2216 -6.8352 -6.8352 -6.4807 -6.4806 -6.4440 -6.4439 -2.3979 -2.3972 -2.2695 -2.2682 -2.1921 -2.1904 -1.5038 -1.5035 -0.5593 -0.5570 -0.2106 -0.2087 0.3002 0.3013 0.3871 0.3883 5.9789 5.9799 6.3240 6.3248 6.6693 6.6702 7.9701 7.9707 8.0429 8.0436 k = 0.3382 0.2116 0.8777 ( 17379 PWs) bands (ev): -49.5618 -49.5618 -42.6038 -42.6038 -42.6038 -42.6038 -42.0662 -42.0662 -21.6400 -21.6400 -21.4823 -21.4823 -21.4234 -21.4233 -16.7623 -16.7619 -16.7309 -16.7306 -16.7198 -16.7195 -16.7128 -16.7127 -7.2204 -7.2203 -6.8345 -6.8345 -6.4817 -6.4815 -6.4448 -6.4446 -2.3985 -2.3977 -2.2703 -2.2690 -2.1878 -2.1862 -1.5046 -1.5042 -0.5606 -0.5584 -0.2083 -0.2065 0.2983 0.2994 0.3857 0.3869 5.9700 5.9710 6.2924 6.2933 6.7073 6.7081 7.9733 7.9738 8.0458 8.0465 k = 0.3529 0.2208 0.8668 ( 17375 PWs) bands (ev): -49.5618 -49.5618 -42.6039 -42.6039 -42.6038 -42.6038 -42.0662 -42.0662 -21.6400 -21.6400 -21.4823 -21.4823 -21.4234 -21.4233 -16.7625 -16.7622 -16.7313 -16.7310 -16.7197 -16.7194 -16.7123 -16.7123 -7.2188 -7.2187 -6.8338 -6.8337 -6.4829 -6.4827 -6.4456 -6.4455 -2.3992 -2.3984 -2.2707 -2.2696 -2.1833 -2.1819 -1.5055 -1.5051 -0.5619 -0.5599 -0.2057 -0.2040 0.2961 0.2971 0.3841 0.3852 5.9616 5.9626 6.2596 6.2605 6.7453 6.7460 7.9767 7.9773 8.0491 8.0498 k = 0.3676 0.2300 0.8560 ( 17371 PWs) bands (ev): -49.5618 -49.5618 -42.6039 -42.6039 -42.6037 -42.6037 -42.0662 -42.0662 -21.6400 -21.6400 -21.4823 -21.4823 -21.4234 -21.4233 -16.7627 -16.7624 -16.7317 -16.7314 -16.7197 -16.7195 -16.7118 -16.7117 -7.2170 -7.2169 -6.8329 -6.8328 -6.4843 -6.4841 -6.4465 -6.4464 -2.4000 -2.3990 -2.2708 -2.2697 -2.1787 -2.1774 -1.5066 -1.5062 -0.5631 -0.5613 -0.2030 -0.2014 0.2935 0.2944 0.3824 0.3834 5.9537 5.9547 6.2258 6.2268 6.7828 6.7834 7.9798 7.9805 8.0534 8.0541 k = 0.3824 0.2392 0.8451 ( 17373 PWs) bands (ev): -49.5618 -49.5618 -42.6039 -42.6039 -42.6037 -42.6037 -42.0661 -42.0661 -21.6400 -21.6400 -21.4823 -21.4823 -21.4234 -21.4233 -16.7629 -16.7627 -16.7321 -16.7318 -16.7198 -16.7195 -16.7112 -16.7111 -7.2149 -7.2149 -6.8319 -6.8318 -6.4859 -6.4858 -6.4475 -6.4474 -2.4008 -2.3997 -2.2705 -2.2693 -2.1741 -2.1729 -1.5079 -1.5075 -0.5641 -0.5624 -0.2002 -0.1988 0.2904 0.2912 0.3805 0.3814 5.9465 5.9474 6.1913 6.1922 6.8192 6.8198 7.9820 7.9826 8.0595 8.0601 k = 0.3971 0.2484 0.8342 ( 17377 PWs) bands (ev): -49.5618 -49.5618 -42.6039 -42.6039 -42.6037 -42.6037 -42.0661 -42.0661 -21.6400 -21.6400 -21.4823 -21.4823 -21.4234 -21.4233 -16.7632 -16.7629 -16.7325 -16.7322 -16.7199 -16.7197 -16.7105 -16.7104 -7.2127 -7.2126 -6.8307 -6.8307 -6.4878 -6.4877 -6.4485 -6.4484 -2.4016 -2.4004 -2.2696 -2.2684 -2.1697 -2.1685 -1.5093 -1.5089 -0.5649 -0.5633 -0.1973 -0.1961 0.2868 0.2875 0.3785 0.3794 5.9397 5.9407 6.1564 6.1574 6.8541 6.8546 7.9824 7.9831 8.0681 8.0687 k = 0.4118 0.2576 0.8234 ( 17385 PWs) bands (ev): -49.5618 -49.5618 -42.6039 -42.6039 -42.6037 -42.6037 -42.0661 -42.0661 -21.6400 -21.6400 -21.4823 -21.4823 -21.4234 -21.4233 -16.7634 -16.7632 -16.7330 -16.7327 -16.7201 -16.7199 -16.7098 -16.7097 -7.2102 -7.2101 -6.8295 -6.8294 -6.4899 -6.4898 -6.4495 -6.4494 -2.4024 -2.4011 -2.2682 -2.2670 -2.1653 -2.1643 -1.5110 -1.5105 -0.5652 -0.5639 -0.1945 -0.1934 0.2827 0.2834 0.3765 0.3772 5.9331 5.9340 6.1218 6.1228 6.8872 6.8877 7.9808 7.9814 8.0798 8.0802 k = 0.4265 0.2668 0.8125 ( 17376 PWs) bands (ev): -49.5618 -49.5618 -42.6040 -42.6040 -42.6037 -42.6037 -42.0661 -42.0661 -21.6400 -21.6400 -21.4823 -21.4822 -21.4234 -21.4233 -16.7636 -16.7634 -16.7336 -16.7333 -16.7203 -16.7200 -16.7090 -16.7089 -7.2075 -7.2074 -6.8281 -6.8281 -6.4923 -6.4922 -6.4505 -6.4505 -2.4032 -2.4018 -2.2662 -2.2649 -2.1612 -2.1602 -1.5128 -1.5123 -0.5652 -0.5640 -0.1918 -0.1909 0.2781 0.2787 0.3744 0.3751 5.9256 5.9266 6.0885 6.0895 6.9183 6.9188 7.9771 7.9777 8.0946 8.0949 k = 0.4412 0.2760 0.8017 ( 17379 PWs) bands (ev): -49.5618 -49.5618 -42.6040 -42.6040 -42.6037 -42.6037 -42.0661 -42.0661 -21.6400 -21.6400 -21.4823 -21.4822 -21.4234 -21.4234 -16.7639 -16.7637 -16.7342 -16.7339 -16.7204 -16.7201 -16.7082 -16.7080 -7.2045 -7.2045 -6.8267 -6.8266 -6.4950 -6.4949 -6.4516 -6.4515 -2.4040 -2.4026 -2.2636 -2.2623 -2.1574 -2.1564 -1.5147 -1.5142 -0.5648 -0.5637 -0.1892 -0.1884 0.2730 0.2734 0.3723 0.3730 5.9156 5.9166 6.0584 6.0593 6.9473 6.9478 7.9713 7.9720 8.1124 8.1127 k = 0.4559 0.2852 0.7908 ( 17383 PWs) bands (ev): -49.5618 -49.5618 -42.6040 -42.6040 -42.6037 -42.6037 -42.0661 -42.0661 -21.6400 -21.6400 -21.4822 -21.4822 -21.4234 -21.4234 -16.7642 -16.7640 -16.7349 -16.7346 -16.7204 -16.7202 -16.7073 -16.7072 -7.2014 -7.2013 -6.8251 -6.8251 -6.4980 -6.4979 -6.4526 -6.4526 -2.4048 -2.4033 -2.2604 -2.2591 -2.1537 -2.1528 -1.5169 -1.5163 -0.5638 -0.5629 -0.1867 -0.1861 0.2673 0.2677 0.3703 0.3709 5.9004 5.9013 6.0343 6.0350 6.9740 6.9744 7.9639 7.9645 8.1332 8.1334 k = 0.4706 0.2944 0.7800 ( 17395 PWs) bands (ev): -49.5618 -49.5618 -42.6041 -42.6041 -42.6037 -42.6037 -42.0661 -42.0661 -21.6400 -21.6399 -21.4822 -21.4822 -21.4234 -21.4234 -16.7645 -16.7644 -16.7357 -16.7353 -16.7204 -16.7202 -16.7064 -16.7063 -7.1981 -7.1980 -6.8234 -6.8234 -6.5012 -6.5011 -6.4536 -6.4536 -2.4056 -2.4041 -2.2567 -2.2553 -2.1504 -2.1494 -1.5191 -1.5185 -0.5624 -0.5616 -0.1844 -0.1839 0.2610 0.2613 0.3683 0.3689 5.8775 5.8782 6.0187 6.0191 6.9984 6.9988 7.9548 7.9555 8.1568 8.1570 k = 0.4853 0.3036 0.7691 ( 17398 PWs) bands (ev): -49.5618 -49.5618 -42.6041 -42.6041 -42.6037 -42.6037 -42.0660 -42.0660 -21.6400 -21.6399 -21.4822 -21.4822 -21.4234 -21.4234 -16.7650 -16.7649 -16.7365 -16.7362 -16.7203 -16.7201 -16.7054 -16.7053 -7.1946 -7.1945 -6.8216 -6.8216 -6.5047 -6.5046 -6.4547 -6.4546 -2.4065 -2.4049 -2.2524 -2.2509 -2.1473 -2.1463 -1.5215 -1.5208 -0.5606 -0.5598 -0.1823 -0.1819 0.2542 0.2545 0.3665 0.3671 5.8465 5.8471 6.0118 6.0121 7.0206 7.0210 7.9444 7.9450 8.1830 8.1832 k = 0.5000 0.3128 0.7583 ( 17404 PWs) bands (ev): -49.5618 -49.5618 -42.6041 -42.6041 -42.6037 -42.6037 -42.0660 -42.0660 -21.6399 -21.6399 -21.4822 -21.4822 -21.4234 -21.4234 -16.7655 -16.7655 -16.7373 -16.7370 -16.7201 -16.7199 -16.7045 -16.7043 -7.1909 -7.1908 -6.8197 -6.8196 -6.5084 -6.5083 -6.4557 -6.4556 -2.4073 -2.4058 -2.2474 -2.2460 -2.1445 -2.1435 -1.5240 -1.5233 -0.5584 -0.5576 -0.1804 -0.1800 0.2469 0.2471 0.3647 0.3653 5.8093 5.8099 6.0118 6.0121 7.0406 7.0411 7.9326 7.9333 8.2117 8.2119 k = 0.5000 0.3128 0.7583 ( 17404 PWs) bands (ev): -49.5618 -49.5618 -42.6041 -42.6041 -42.6037 -42.6037 -42.0660 -42.0660 -21.6399 -21.6399 -21.4822 -21.4822 -21.4234 -21.4234 -16.7655 -16.7655 -16.7373 -16.7370 -16.7201 -16.7199 -16.7045 -16.7043 -7.1909 -7.1908 -6.8197 -6.8196 -6.5084 -6.5083 -6.4557 -6.4556 -2.4073 -2.4058 -2.2474 -2.2460 -2.1445 -2.1435 -1.5240 -1.5233 -0.5584 -0.5576 -0.1804 -0.1800 0.2469 0.2471 0.3647 0.3653 5.8093 5.8099 6.0118 6.0121 7.0406 7.0411 7.9326 7.9333 8.2117 8.2119 k = 0.5000 0.3128 0.7372 ( 17404 PWs) bands (ev): -49.5618 -49.5618 -42.6042 -42.6042 -42.6036 -42.6036 -42.0660 -42.0660 -21.6399 -21.6399 -21.4822 -21.4822 -21.4234 -21.4234 -16.7669 -16.7668 -16.7390 -16.7388 -16.7194 -16.7192 -16.7025 -16.7024 -7.1833 -7.1832 -6.8156 -6.8156 -6.5164 -6.5163 -6.4576 -6.4575 -2.4091 -2.4074 -2.2370 -2.2355 -2.1391 -2.1380 -1.5291 -1.5284 -0.5535 -0.5526 -0.1766 -0.1762 0.2312 0.2315 0.3615 0.3622 5.7330 5.7336 6.0176 6.0179 7.0744 7.0748 7.9073 7.9080 8.2729 8.2731 k = 0.5000 0.3128 0.7162 ( 17398 PWs) bands (ev): -49.5618 -49.5618 -42.6043 -42.6043 -42.6036 -42.6036 -42.0659 -42.0659 -21.6399 -21.6399 -21.4822 -21.4822 -21.4234 -21.4234 -16.7684 -16.7683 -16.7410 -16.7408 -16.7184 -16.7183 -16.7004 -16.7003 -7.1751 -7.1750 -6.8112 -6.8111 -6.5252 -6.5251 -6.4594 -6.4593 -2.4107 -2.4091 -2.2258 -2.2242 -2.1332 -2.1320 -1.5348 -1.5340 -0.5481 -0.5471 -0.1723 -0.1719 0.2139 0.2142 0.3585 0.3593 5.6576 5.6582 6.0238 6.0241 7.1017 7.1021 7.8793 7.8800 8.3401 8.3403 k = 0.5000 0.3128 0.6951 ( 17406 PWs) bands (ev): -49.5618 -49.5618 -42.6044 -42.6044 -42.6036 -42.6036 -42.0659 -42.0659 -21.6399 -21.6399 -21.4822 -21.4822 -21.4234 -21.4234 -16.7702 -16.7701 -16.7433 -16.7431 -16.7171 -16.7169 -16.6983 -16.6982 -7.1664 -7.1663 -6.8063 -6.8063 -6.5348 -6.5347 -6.4611 -6.4610 -2.4124 -2.4107 -2.2139 -2.2123 -2.1268 -2.1256 -1.5409 -1.5400 -0.5424 -0.5413 -0.1674 -0.1669 0.1951 0.1954 0.3558 0.3567 5.5832 5.5839 6.0306 6.0309 7.1226 7.1230 7.8488 7.8496 8.4127 8.4128 k = 0.5000 0.3128 0.6740 ( 17404 PWs) bands (ev): -49.5618 -49.5618 -42.6045 -42.6045 -42.6035 -42.6035 -42.0658 -42.0658 -21.6399 -21.6399 -21.4821 -21.4821 -21.4234 -21.4234 -16.7721 -16.7720 -16.7458 -16.7456 -16.7154 -16.7153 -16.6961 -16.6960 -7.1574 -7.1572 -6.8011 -6.8010 -6.5450 -6.5449 -6.4627 -6.4627 -2.4140 -2.4123 -2.2014 -2.1998 -2.1200 -2.1187 -1.5475 -1.5465 -0.5364 -0.5352 -0.1618 -0.1614 0.1751 0.1754 0.3533 0.3542 5.5100 5.5106 6.0377 6.0381 7.1374 7.1378 7.8160 7.8168 8.4899 8.4900 k = 0.5000 0.3128 0.6530 ( 17394 PWs) bands (ev): -49.5618 -49.5618 -42.6046 -42.6046 -42.6035 -42.6035 -42.0657 -42.0657 -21.6399 -21.6399 -21.4821 -21.4821 -21.4234 -21.4234 -16.7742 -16.7740 -16.7485 -16.7483 -16.7134 -16.7133 -16.6938 -16.6937 -7.1480 -7.1479 -6.7955 -6.7954 -6.5558 -6.5556 -6.4644 -6.4643 -2.4155 -2.4138 -2.1883 -2.1867 -2.1129 -2.1115 -1.5545 -1.5535 -0.5301 -0.5288 -0.1556 -0.1551 0.1541 0.1544 0.3509 0.3518 5.4380 5.4387 6.0453 6.0457 7.1464 7.1468 7.7809 7.7817 8.5709 8.5710 k = 0.5000 0.3128 0.6319 ( 17390 PWs) bands (ev): -49.5618 -49.5618 -42.6047 -42.6047 -42.6034 -42.6034 -42.0657 -42.0657 -21.6399 -21.6398 -21.4821 -21.4821 -21.4234 -21.4234 -16.7764 -16.7762 -16.7514 -16.7512 -16.7112 -16.7111 -16.6915 -16.6914 -7.1384 -7.1383 -6.7896 -6.7895 -6.5668 -6.5667 -6.4660 -6.4659 -2.4170 -2.4153 -2.1748 -2.1732 -2.1054 -2.1040 -1.5619 -1.5609 -0.5236 -0.5223 -0.1487 -0.1483 0.1324 0.1326 0.3485 0.3495 5.3674 5.3681 6.0533 6.0537 7.1500 7.1503 7.7438 7.7446 8.6549 8.6551 k = 0.5000 0.3128 0.6108 ( 17386 PWs) bands (ev): -49.5618 -49.5618 -42.6048 -42.6048 -42.6034 -42.6034 -42.0656 -42.0656 -21.6398 -21.6398 -21.4821 -21.4821 -21.4234 -21.4234 -16.7787 -16.7785 -16.7545 -16.7543 -16.7088 -16.7087 -16.6892 -16.6891 -7.1287 -7.1286 -6.7835 -6.7834 -6.5781 -6.5780 -6.4676 -6.4675 -2.4184 -2.4168 -2.1609 -2.1593 -2.0976 -2.0962 -1.5698 -1.5687 -0.5169 -0.5155 -0.1412 -0.1408 0.1102 0.1105 0.3462 0.3472 5.2981 5.2988 6.0616 6.0621 7.1485 7.1489 7.7048 7.7056 8.7411 8.7413 k = 0.5000 0.3128 0.5898 ( 17402 PWs) bands (ev): -49.5618 -49.5618 -42.6049 -42.6049 -42.6033 -42.6033 -42.0655 -42.0655 -21.6398 -21.6398 -21.4820 -21.4820 -21.4234 -21.4234 -16.7812 -16.7809 -16.7577 -16.7575 -16.7061 -16.7061 -16.6868 -16.6867 -7.1191 -7.1190 -6.7772 -6.7771 -6.5893 -6.5892 -6.4692 -6.4691 -2.4198 -2.4182 -2.1466 -2.1451 -2.0895 -2.0881 -1.5780 -1.5769 -0.5102 -0.5088 -0.1331 -0.1326 0.0879 0.0881 0.3439 0.3450 5.2303 5.2310 6.0703 6.0708 7.1425 7.1428 7.6641 7.6650 8.8285 8.8288 k = 0.5000 0.3128 0.5687 ( 17390 PWs) bands (ev): -49.5618 -49.5618 -42.6050 -42.6050 -42.6033 -42.6033 -42.0655 -42.0655 -21.6398 -21.6398 -21.4820 -21.4820 -21.4235 -21.4234 -16.7837 -16.7834 -16.7610 -16.7609 -16.7033 -16.7033 -16.6844 -16.6843 -7.1095 -7.1094 -6.7710 -6.7709 -6.6002 -6.6001 -6.4707 -6.4707 -2.4212 -2.4195 -2.1321 -2.1306 -2.0811 -2.0797 -1.5866 -1.5854 -0.5035 -0.5020 -0.1244 -0.1240 0.0658 0.0661 0.3416 0.3427 5.1640 5.1647 6.0792 6.0797 7.1322 7.1325 7.6219 7.6228 8.9158 8.9161 k = 0.5000 0.3128 0.5477 ( 17382 PWs) bands (ev): -49.5618 -49.5618 -42.6051 -42.6051 -42.6032 -42.6032 -42.0654 -42.0654 -21.6398 -21.6398 -21.4820 -21.4820 -21.4235 -21.4234 -16.7862 -16.7859 -16.7645 -16.7643 -16.7004 -16.7003 -16.6820 -16.6818 -7.1002 -7.1001 -6.7649 -6.7649 -6.6105 -6.6104 -6.4723 -6.4723 -2.4225 -2.4209 -2.1175 -2.1160 -2.0724 -2.0711 -1.5955 -1.5943 -0.4969 -0.4953 -0.1156 -0.1152 0.0444 0.0447 0.3393 0.3404 5.0993 5.1000 6.0884 6.0889 7.1182 7.1185 7.5785 7.5794 8.9759 8.9760 k = 0.5000 0.3128 0.5266 ( 17396 PWs) bands (ev): -49.5618 -49.5618 -42.6052 -42.6052 -42.6032 -42.6032 -42.0653 -42.0653 -21.6398 -21.6397 -21.4819 -21.4819 -21.4235 -21.4235 -16.7888 -16.7885 -16.7680 -16.7678 -16.6973 -16.6973 -16.6796 -16.6794 -7.0911 -7.0910 -6.7594 -6.7594 -6.6198 -6.6198 -6.4739 -6.4739 -2.4237 -2.4222 -2.1028 -2.1013 -2.0635 -2.0622 -1.6047 -1.6035 -0.4905 -0.4889 -0.1073 -0.1068 0.0246 0.0250 0.3369 0.3380 5.0362 5.0368 6.0978 6.0984 7.1009 7.1011 7.5340 7.5349 8.9628 8.9631 k = 0.5000 0.3128 0.5055 ( 17390 PWs) bands (ev): -49.5618 -49.5618 -42.6054 -42.6054 -42.6031 -42.6031 -42.0652 -42.0652 -21.6397 -21.6397 -21.4819 -21.4819 -21.4235 -21.4235 -16.7915 -16.7911 -16.7715 -16.7714 -16.6942 -16.6941 -16.6772 -16.6769 -7.0825 -7.0825 -6.7548 -6.7548 -6.6277 -6.6277 -6.4755 -6.4755 -2.4250 -2.4234 -2.0881 -2.0867 -2.0544 -2.0532 -1.6142 -1.6129 -0.4844 -0.4827 -0.1005 -0.0999 0.0075 0.0081 0.3345 0.3356 4.9747 4.9754 6.1074 6.1080 7.0807 7.0809 7.4886 7.4895 8.9474 8.9478 k = 0.5000 0.3128 0.4845 ( 17394 PWs) bands (ev): -49.5618 -49.5618 -42.6055 -42.6055 -42.6031 -42.6031 -42.0652 -42.0652 -21.6397 -21.6397 -21.4819 -21.4819 -21.4235 -21.4235 -16.7941 -16.7938 -16.7751 -16.7750 -16.6910 -16.6909 -16.6747 -16.6745 -7.0745 -7.0744 -6.7516 -6.7516 -6.6336 -6.6335 -6.4771 -6.4770 -2.4262 -2.4247 -2.0736 -2.0723 -2.0450 -2.0439 -1.6240 -1.6227 -0.4786 -0.4768 -0.0974 -0.0967 -0.0043 -0.0036 0.3320 0.3331 4.9149 4.9156 6.1172 6.1178 7.0580 7.0582 7.4424 7.4434 8.9328 8.9332 k = 0.5000 0.3128 0.4634 ( 17394 PWs) bands (ev): -49.5618 -49.5618 -42.6056 -42.6056 -42.6030 -42.6030 -42.0651 -42.0651 -21.6397 -21.6397 -21.4818 -21.4818 -21.4235 -21.4235 -16.7968 -16.7964 -16.7787 -16.7786 -16.6877 -16.6877 -16.6723 -16.6721 -7.0671 -7.0670 -6.7502 -6.7502 -6.6369 -6.6368 -6.4786 -6.4786 -2.4274 -2.4259 -2.0595 -2.0581 -2.0352 -2.0342 -1.6340 -1.6326 -0.4732 -0.4714 -0.1006 -0.0998 -0.0082 -0.0074 0.3294 0.3306 4.8568 4.8575 6.1272 6.1278 7.0334 7.0335 7.3957 7.3967 8.9192 8.9195 k = 0.5000 0.3128 0.4423 ( 17382 PWs) bands (ev): -49.5618 -49.5618 -42.6057 -42.6057 -42.6030 -42.6030 -42.0650 -42.0650 -21.6397 -21.6396 -21.4818 -21.4818 -21.4235 -21.4235 -16.7995 -16.7991 -16.7823 -16.7821 -16.6844 -16.6844 -16.6699 -16.6697 -7.0604 -7.0604 -6.7510 -6.7509 -6.6373 -6.6372 -6.4802 -6.4801 -2.4285 -2.4272 -2.0459 -2.0445 -2.0249 -2.0242 -1.6441 -1.6428 -0.4683 -0.4665 -0.1102 -0.1094 -0.0039 -0.0031 0.3269 0.3280 4.8006 4.8013 6.1372 6.1379 7.0071 7.0073 7.3486 7.3496 8.9064 8.9067 k = 0.5000 0.3128 0.4213 ( 17394 PWs) bands (ev): -49.5618 -49.5618 -42.6058 -42.6058 -42.6029 -42.6029 -42.0649 -42.0649 -21.6397 -21.6396 -21.4818 -21.4818 -21.4235 -21.4235 -16.8021 -16.8017 -16.7858 -16.7857 -16.6811 -16.6811 -16.6676 -16.6673 -7.0545 -7.0545 -6.7536 -6.7536 -6.6349 -6.6348 -6.4817 -6.4817 -2.4297 -2.4284 -2.0331 -2.0316 -2.0142 -2.0134 -1.6545 -1.6531 -0.4640 -0.4622 -0.1240 -0.1233 0.0065 0.0072 0.3243 0.3253 4.7462 4.7468 6.1474 6.1481 6.9797 6.9799 7.3013 7.3024 8.8944 8.8948 k = 0.5000 0.3128 0.4002 ( 17398 PWs) bands (ev): -49.5618 -49.5618 -42.6060 -42.6060 -42.6029 -42.6029 -42.0648 -42.0648 -21.6396 -21.6396 -21.4817 -21.4817 -21.4236 -21.4235 -16.8048 -16.8043 -16.7893 -16.7892 -16.6778 -16.6778 -16.6653 -16.6650 -7.0495 -7.0495 -6.7579 -6.7578 -6.6301 -6.6299 -6.4832 -6.4832 -2.4309 -2.4296 -2.0213 -2.0196 -2.0028 -2.0020 -1.6649 -1.6635 -0.4603 -0.4585 -0.1397 -0.1390 0.0205 0.0211 0.3216 0.3227 4.6937 4.6943 6.1576 6.1584 6.9516 6.9518 7.2540 7.2551 8.8831 8.8835 k = 0.5000 0.3128 0.3791 ( 17412 PWs) bands (ev): -49.5618 -49.5618 -42.6061 -42.6061 -42.6028 -42.6028 -42.0648 -42.0648 -21.6396 -21.6396 -21.4817 -21.4817 -21.4236 -21.4235 -16.8073 -16.8069 -16.7927 -16.7926 -16.6746 -16.6746 -16.6630 -16.6627 -7.0454 -7.0454 -6.7631 -6.7630 -6.6234 -6.6232 -6.4847 -6.4847 -2.4320 -2.4308 -2.0103 -2.0085 -1.9909 -1.9899 -1.6755 -1.6741 -0.4573 -0.4555 -0.1557 -0.1551 0.0367 0.0372 0.3190 0.3200 4.6431 4.6438 6.1679 6.1687 6.9231 6.9233 7.2068 7.2079 8.8724 8.8728 k = 0.5000 0.3128 0.3581 ( 17406 PWs) bands (ev): -49.5618 -49.5618 -42.6062 -42.6062 -42.6028 -42.6028 -42.0647 -42.0647 -21.6396 -21.6396 -21.4817 -21.4817 -21.4236 -21.4235 -16.8099 -16.8095 -16.7960 -16.7959 -16.6714 -16.6714 -16.6608 -16.6605 -7.0423 -7.0423 -6.7687 -6.7687 -6.6153 -6.6151 -6.4861 -6.4861 -2.4331 -2.4320 -2.0001 -1.9982 -1.9786 -1.9775 -1.6861 -1.6847 -0.4550 -0.4532 -0.1714 -0.1708 0.0544 0.0548 0.3163 0.3173 4.5946 4.5952 6.1783 6.1791 6.8947 6.8949 7.1599 7.1610 8.8622 8.8626 k = 0.5000 0.3128 0.3370 ( 17410 PWs) bands (ev): -49.5618 -49.5618 -42.6063 -42.6063 -42.6027 -42.6027 -42.0646 -42.0646 -21.6396 -21.6395 -21.4816 -21.4816 -21.4236 -21.4236 -16.8124 -16.8119 -16.7992 -16.7991 -16.6683 -16.6683 -16.6587 -16.6584 -7.0402 -7.0401 -6.7744 -6.7743 -6.6063 -6.6061 -6.4875 -6.4875 -2.4342 -2.4331 -1.9903 -1.9884 -1.9663 -1.9652 -1.6968 -1.6953 -0.4534 -0.4516 -0.1863 -0.1857 0.0730 0.0734 0.3137 0.3146 4.5481 4.5487 6.1887 6.1896 6.8666 6.8668 7.1134 7.1146 8.8523 8.8528 k = 0.5000 0.3128 0.3160 ( 17414 PWs) bands (ev): -49.5618 -49.5618 -42.6064 -42.6064 -42.6027 -42.6027 -42.0646 -42.0646 -21.6395 -21.6395 -21.4816 -21.4816 -21.4236 -21.4236 -16.8148 -16.8144 -16.8023 -16.8022 -16.6653 -16.6653 -16.6566 -16.6564 -7.0390 -7.0389 -6.7798 -6.7797 -6.5968 -6.5966 -6.4889 -6.4889 -2.4353 -2.4343 -1.9809 -1.9790 -1.9542 -1.9530 -1.7075 -1.7060 -0.4526 -0.4509 -0.2002 -0.1996 0.0922 0.0926 0.3111 0.3120 4.5038 4.5044 6.1992 6.2001 6.8392 6.8394 7.0677 7.0689 8.8427 8.8432 k = 0.5000 0.3128 0.2949 ( 17396 PWs) bands (ev): -49.5618 -49.5618 -42.6065 -42.6065 -42.6027 -42.6027 -42.0645 -42.0645 -21.6395 -21.6395 -21.4816 -21.4816 -21.4236 -21.4236 -16.8171 -16.8167 -16.8053 -16.8052 -16.6624 -16.6624 -16.6546 -16.6544 -7.0387 -7.0386 -6.7847 -6.7847 -6.5869 -6.5868 -6.4902 -6.4902 -2.4364 -2.4354 -1.9718 -1.9699 -1.9424 -1.9412 -1.7181 -1.7166 -0.4526 -0.4509 -0.2129 -0.2123 0.1117 0.1120 0.3085 0.3094 4.4618 4.4623 6.2097 6.2107 6.8127 6.8130 7.0228 7.0240 8.8333 8.8338 k = 0.5000 0.3128 0.2738 ( 17398 PWs) bands (ev): -49.5618 -49.5618 -42.6066 -42.6066 -42.6026 -42.6026 -42.0644 -42.0644 -21.6395 -21.6395 -21.4815 -21.4815 -21.4236 -21.4236 -16.8193 -16.8190 -16.8080 -16.8079 -16.6596 -16.6596 -16.6528 -16.6525 -7.0393 -7.0391 -6.7891 -6.7890 -6.5770 -6.5769 -6.4914 -6.4914 -2.4374 -2.4365 -1.9628 -1.9610 -1.9310 -1.9299 -1.7287 -1.7272 -0.4533 -0.4516 -0.2242 -0.2237 0.1313 0.1315 0.3060 0.3068 4.4220 4.4225 6.2203 6.2213 6.7874 6.7877 6.9789 6.9801 8.8238 8.8243 k = 0.5000 0.3128 0.2528 ( 17396 PWs) bands (ev): -49.5618 -49.5618 -42.6067 -42.6067 -42.6026 -42.6026 -42.0644 -42.0644 -21.6395 -21.6395 -21.4815 -21.4815 -21.4236 -21.4236 -16.8215 -16.8211 -16.8106 -16.8106 -16.6569 -16.6569 -16.6510 -16.6508 -7.0405 -7.0404 -6.7928 -6.7927 -6.5673 -6.5671 -6.4926 -6.4926 -2.4384 -2.4376 -1.9540 -1.9522 -1.9202 -1.9192 -1.7392 -1.7377 -0.4546 -0.4531 -0.2343 -0.2337 0.1506 0.1508 0.3036 0.3044 4.3846 4.3851 6.2309 6.2319 6.7635 6.7639 6.9363 6.9375 8.8141 8.8147 k = 0.5000 0.3128 0.2317 ( 17388 PWs) bands (ev): -49.5618 -49.5618 -42.6068 -42.6068 -42.6025 -42.6025 -42.0643 -42.0643 -21.6395 -21.6394 -21.4815 -21.4815 -21.4236 -21.4236 -16.8235 -16.8232 -16.8130 -16.8130 -16.6544 -16.6544 -16.6493 -16.6491 -7.0423 -7.0422 -6.7958 -6.7958 -6.5578 -6.5577 -6.4937 -6.4937 -2.4394 -2.4386 -1.9453 -1.9435 -1.9100 -1.9091 -1.7496 -1.7480 -0.4566 -0.4551 -0.2430 -0.2425 0.1694 0.1697 0.3013 0.3020 4.3498 4.3503 6.2416 6.2426 6.7413 6.7416 6.8951 6.8963 8.8042 8.8048 k = 0.5000 0.3128 0.2106 ( 17400 PWs) bands (ev): -49.5618 -49.5618 -42.6069 -42.6069 -42.6025 -42.6025 -42.0643 -42.0643 -21.6395 -21.6394 -21.4815 -21.4815 -21.4237 -21.4236 -16.8254 -16.8251 -16.8153 -16.8152 -16.6521 -16.6521 -16.6478 -16.6476 -7.0446 -7.0445 -6.7983 -6.7983 -6.5487 -6.5486 -6.4947 -6.4947 -2.4403 -2.4396 -1.9367 -1.9350 -1.9006 -1.8997 -1.7598 -1.7583 -0.4589 -0.4576 -0.2504 -0.2500 0.1876 0.1878 0.2991 0.2998 4.3175 4.3179 6.2523 6.2533 6.7207 6.7211 6.8555 6.8567 8.7938 8.7945 k = 0.5000 0.3128 0.1896 ( 17412 PWs) bands (ev): -49.5618 -49.5618 -42.6070 -42.6070 -42.6025 -42.6025 -42.0642 -42.0642 -21.6394 -21.6394 -21.4814 -21.4814 -21.4237 -21.4236 -16.8272 -16.8269 -16.8173 -16.8172 -16.6500 -16.6500 -16.6464 -16.6462 -7.0472 -7.0471 -6.8003 -6.8002 -6.5402 -6.5401 -6.4957 -6.4957 -2.4411 -2.4405 -1.9283 -1.9265 -1.8918 -1.8910 -1.7700 -1.7684 -0.4617 -0.4604 -0.2567 -0.2563 0.2049 0.2051 0.2971 0.2977 4.2879 4.2883 6.2630 6.2640 6.7020 6.7024 6.8178 6.8190 8.7831 8.7838 k = 0.5000 0.3128 0.1685 ( 17406 PWs) bands (ev): -49.5618 -49.5618 -42.6070 -42.6070 -42.6024 -42.6024 -42.0642 -42.0642 -21.6394 -21.6394 -21.4814 -21.4814 -21.4237 -21.4236 -16.8288 -16.8285 -16.8191 -16.8191 -16.6480 -16.6480 -16.6451 -16.6449 -7.0500 -7.0498 -6.8018 -6.8017 -6.5323 -6.5322 -6.4966 -6.4966 -2.4419 -2.4414 -1.9199 -1.9181 -1.8838 -1.8831 -1.7799 -1.7783 -0.4646 -0.4635 -0.2619 -0.2615 0.2210 0.2212 0.2952 0.2957 4.2611 4.2615 6.2737 6.2747 6.6853 6.6856 6.7823 6.7835 8.7720 8.7726 k = 0.5000 0.3128 0.1474 ( 17420 PWs) bands (ev): -49.5618 -49.5618 -42.6071 -42.6071 -42.6024 -42.6024 -42.0641 -42.0641 -21.6394 -21.6394 -21.4814 -21.4814 -21.4237 -21.4236 -16.8302 -16.8300 -16.8207 -16.8207 -16.6463 -16.6463 -16.6439 -16.6438 -7.0527 -7.0526 -6.8029 -6.8028 -6.5251 -6.5250 -6.4973 -6.4973 -2.4426 -2.4422 -1.9115 -1.9098 -1.8767 -1.8760 -1.7897 -1.7881 -0.4676 -0.4666 -0.2662 -0.2658 0.2358 0.2360 0.2935 0.2940 4.2372 4.2375 6.2843 6.2853 6.6705 6.6708 6.7492 6.7503 8.7607 8.7614 k = 0.5000 0.3128 0.1264 ( 17416 PWs) bands (ev): -49.5618 -49.5618 -42.6072 -42.6072 -42.6024 -42.6024 -42.0641 -42.0641 -21.6394 -21.6394 -21.4814 -21.4814 -21.4237 -21.4236 -16.8315 -16.8314 -16.8221 -16.8221 -16.6448 -16.6447 -16.6429 -16.6428 -7.0554 -7.0553 -6.8037 -6.8036 -6.5188 -6.5187 -6.4980 -6.4980 -2.4433 -2.4429 -1.9033 -1.9016 -1.8704 -1.8698 -1.7993 -1.7976 -0.4705 -0.4696 -0.2696 -0.2693 0.2491 0.2492 0.2920 0.2924 4.2162 4.2165 6.2946 6.2956 6.6577 6.6580 6.7189 6.7200 8.7497 8.7503 k = 0.5000 0.3128 0.1053 ( 17412 PWs) bands (ev): -49.5618 -49.5618 -42.6072 -42.6072 -42.6024 -42.6024 -42.0641 -42.0641 -21.6394 -21.6394 -21.4814 -21.4814 -21.4237 -21.4237 -16.8326 -16.8325 -16.8233 -16.8233 -16.6434 -16.6434 -16.6420 -16.6419 -7.0578 -7.0577 -6.8043 -6.8042 -6.5132 -6.5132 -6.4986 -6.4986 -2.4438 -2.4435 -1.8950 -1.8933 -1.8650 -1.8645 -1.8087 -1.8070 -0.4731 -0.4724 -0.2723 -0.2721 0.2606 0.2607 0.2907 0.2911 4.1983 4.1986 6.3046 6.3054 6.6469 6.6471 6.6918 6.6927 8.7394 8.7400 k = 0.5000 0.3128 0.0843 ( 17420 PWs) bands (ev): -49.5618 -49.5618 -42.6072 -42.6072 -42.6024 -42.6024 -42.0641 -42.0641 -21.6394 -21.6394 -21.4814 -21.4814 -21.4237 -21.4237 -16.8336 -16.8335 -16.8242 -16.8242 -16.6424 -16.6424 -16.6413 -16.6412 -7.0599 -7.0599 -6.8046 -6.8046 -6.5087 -6.5086 -6.4991 -6.4991 -2.4443 -2.4440 -1.8867 -1.8851 -1.8606 -1.8602 -1.8179 -1.8162 -0.4754 -0.4748 -0.2744 -0.2742 0.2703 0.2704 0.2896 0.2899 4.1836 4.1838 6.3137 6.3145 6.6381 6.6383 6.6683 6.6691 8.7303 8.7307 k = 0.5000 0.3128 0.0632 ( 17412 PWs) bands (ev): -49.5618 -49.5618 -42.6073 -42.6073 -42.6023 -42.6023 -42.0640 -42.0640 -21.6394 -21.6394 -21.4813 -21.4813 -21.4237 -21.4237 -16.8343 -16.8342 -16.8250 -16.8250 -16.6415 -16.6415 -16.6407 -16.6406 -7.0617 -7.0616 -6.8049 -6.8048 -6.5050 -6.5050 -6.4995 -6.4994 -2.4446 -2.4444 -1.8784 -1.8768 -1.8571 -1.8567 -1.8269 -1.8253 -0.4773 -0.4769 -0.2759 -0.2758 0.2780 0.2781 0.2888 0.2890 4.1720 4.1722 6.3218 6.3224 6.6313 6.6315 6.6491 6.6497 8.7227 8.7230 k = 0.5000 0.3128 0.0421 ( 17416 PWs) bands (ev): -49.5618 -49.5618 -42.6073 -42.6073 -42.6023 -42.6023 -42.0640 -42.0640 -21.6394 -21.6394 -21.4813 -21.4813 -21.4237 -21.4237 -16.8348 -16.8348 -16.8255 -16.8255 -16.6409 -16.6409 -16.6403 -16.6402 -7.0629 -7.0629 -6.8050 -6.8050 -6.5024 -6.5024 -6.4997 -6.4997 -2.4449 -2.4447 -1.8701 -1.8685 -1.8545 -1.8543 -1.8358 -1.8342 -0.4787 -0.4784 -0.2770 -0.2769 0.2835 0.2836 0.2882 0.2884 4.1637 4.1638 6.3281 6.3286 6.6264 6.6266 6.6347 6.6351 8.7171 8.7173 k = 0.5000 0.3128 0.0211 ( 17432 PWs) bands (ev): -49.5618 -49.5618 -42.6073 -42.6073 -42.6023 -42.6023 -42.0640 -42.0640 -21.6394 -21.6394 -21.4813 -21.4813 -21.4237 -21.4237 -16.8351 -16.8351 -16.8259 -16.8259 -16.6406 -16.6406 -16.6400 -16.6400 -7.0637 -7.0637 -6.8051 -6.8051 -6.5009 -6.5008 -6.4999 -6.4999 -2.4450 -2.4449 -1.8617 -1.8601 -1.8530 -1.8528 -1.8446 -1.8429 -0.4795 -0.4794 -0.2776 -0.2775 0.2867 0.2868 0.2880 0.2882 4.1588 4.1588 6.3323 6.3325 6.6233 6.6234 6.6261 6.6262 8.7136 8.7137 k = 0.5000 0.3128-0.0000 ( 17418 PWs) bands (ev): -49.5618 -49.5618 -42.6073 -42.6073 -42.6023 -42.6023 -42.0640 -42.0640 -21.6394 -21.6394 -21.4813 -21.4813 -21.4237 -21.4237 -16.8352 -16.8352 -16.8260 -16.8260 -16.6405 -16.6405 -16.6399 -16.6399 -7.0640 -7.0640 -6.8051 -6.8051 -6.5004 -6.5004 -6.4999 -6.4999 -2.4450 -2.4450 -1.8534 -1.8534 -1.8528 -1.8528 -1.8510 -1.8510 -0.4797 -0.4797 -0.2777 -0.2777 0.2874 0.2874 0.2884 0.2884 4.1571 4.1571 6.3338 6.3338 6.6218 6.6218 6.6237 6.6237 8.7125 8.7125 k = 0.0000 0.0000 0.9428 ( 17338 PWs) bands (ev): -49.5617 -49.5617 -42.6038 -42.6038 -42.6038 -42.6038 -42.0662 -42.0662 -21.6400 -21.6400 -21.4823 -21.4823 -21.4233 -21.4233 -16.7612 -16.7612 -16.7292 -16.7292 -16.7210 -16.7210 -16.7136 -16.7136 -7.2249 -7.2249 -6.8365 -6.8365 -6.4788 -6.4788 -6.4419 -6.4419 -2.3962 -2.3962 -2.2952 -2.2952 -2.1678 -2.1678 -1.5019 -1.5019 -0.5796 -0.5796 -0.1945 -0.1945 0.3049 0.3049 0.3909 0.3909 5.9869 5.9869 6.4257 6.4257 6.5806 6.5806 7.9626 7.9626 8.0383 8.0383 k = 0.0179 0.0112 0.9428 ( 17354 PWs) bands (ev): -49.5617 -49.5617 -42.6038 -42.6038 -42.6038 -42.6038 -42.0662 -42.0662 -21.6400 -21.6400 -21.4823 -21.4823 -21.4233 -21.4233 -16.7612 -16.7611 -16.7292 -16.7292 -16.7210 -16.7210 -16.7136 -16.7136 -7.2249 -7.2249 -6.8365 -6.8365 -6.4788 -6.4788 -6.4419 -6.4419 -2.3962 -2.3962 -2.2950 -2.2949 -2.1682 -2.1681 -1.5019 -1.5019 -0.5795 -0.5792 -0.1949 -0.1947 0.3048 0.3050 0.3908 0.3910 5.9872 5.9873 6.4257 6.4258 6.5800 6.5802 7.9626 7.9626 8.0382 8.0382 k = 0.0357 0.0223 0.9428 ( 17372 PWs) bands (ev): -49.5617 -49.5617 -42.6038 -42.6038 -42.6038 -42.6038 -42.0662 -42.0662 -21.6400 -21.6400 -21.4823 -21.4823 -21.4233 -21.4233 -16.7612 -16.7611 -16.7292 -16.7292 -16.7210 -16.7209 -16.7136 -16.7136 -7.2249 -7.2249 -6.8366 -6.8365 -6.4788 -6.4787 -6.4419 -6.4419 -2.3962 -2.3961 -2.2942 -2.2940 -2.1693 -2.1690 -1.5020 -1.5019 -0.5787 -0.5782 -0.1957 -0.1953 0.3048 0.3050 0.3908 0.3911 5.9880 5.9882 6.4258 6.4259 6.5784 6.5788 7.9627 7.9627 8.0379 8.0380 k = 0.0536 0.0335 0.9428 ( 17376 PWs) bands (ev): -49.5618 -49.5618 -42.6038 -42.6038 -42.6038 -42.6038 -42.0662 -42.0662 -21.6400 -21.6400 -21.4823 -21.4823 -21.4233 -21.4233 -16.7612 -16.7611 -16.7292 -16.7292 -16.7211 -16.7209 -16.7136 -16.7136 -7.2249 -7.2248 -6.8366 -6.8366 -6.4788 -6.4787 -6.4419 -6.4419 -2.3962 -2.3961 -2.2929 -2.2926 -2.1711 -2.1706 -1.5020 -1.5019 -0.5774 -0.5766 -0.1970 -0.1963 0.3047 0.3051 0.3907 0.3911 5.9893 5.9896 6.4259 6.4260 6.5759 6.5764 7.9629 7.9629 8.0375 8.0377 k = 0.0714 0.0447 0.9428 ( 17386 PWs) bands (ev): -49.5618 -49.5618 -42.6038 -42.6038 -42.6038 -42.6038 -42.0662 -42.0662 -21.6400 -21.6400 -21.4823 -21.4823 -21.4233 -21.4233 -16.7613 -16.7611 -16.7292 -16.7292 -16.7211 -16.7209 -16.7136 -16.7136 -7.2249 -7.2248 -6.8366 -6.8366 -6.4788 -6.4787 -6.4419 -6.4419 -2.3962 -2.3961 -2.2911 -2.2907 -2.1734 -2.1728 -1.5020 -1.5019 -0.5756 -0.5745 -0.1987 -0.1978 0.3046 0.3052 0.3906 0.3912 5.9911 5.9915 6.4261 6.4262 6.5725 6.5732 7.9631 7.9631 8.0370 8.0372 k = 0.0893 0.0559 0.9428 ( 17382 PWs) bands (ev): -49.5618 -49.5618 -42.6038 -42.6038 -42.6038 -42.6038 -42.0662 -42.0662 -21.6400 -21.6400 -21.4823 -21.4823 -21.4233 -21.4233 -16.7613 -16.7611 -16.7292 -16.7292 -16.7211 -16.7209 -16.7137 -16.7136 -7.2248 -7.2248 -6.8366 -6.8366 -6.4787 -6.4787 -6.4420 -6.4419 -2.3961 -2.3960 -2.2889 -2.2884 -2.1763 -2.1755 -1.5020 -1.5019 -0.5733 -0.5720 -0.2007 -0.1996 0.3046 0.3052 0.3906 0.3913 5.9933 5.9938 6.4263 6.4264 6.5684 6.5693 7.9634 7.9634 8.0363 8.0367 k = 0.1071 0.0670 0.9428 ( 17378 PWs) bands (ev): -49.5618 -49.5618 -42.6038 -42.6038 -42.6038 -42.6038 -42.0662 -42.0662 -21.6400 -21.6400 -21.4823 -21.4823 -21.4233 -21.4233 -16.7613 -16.7610 -16.7292 -16.7292 -16.7211 -16.7209 -16.7137 -16.7136 -7.2248 -7.2248 -6.8366 -6.8366 -6.4787 -6.4786 -6.4420 -6.4419 -2.3961 -2.3960 -2.2862 -2.2856 -2.1796 -2.1787 -1.5021 -1.5019 -0.5708 -0.5693 -0.2029 -0.2017 0.3045 0.3053 0.3905 0.3913 5.9958 5.9964 6.4266 6.4267 6.5639 6.5649 7.9637 7.9638 8.0357 8.0360 k = 0.1250 0.0782 0.9428 ( 17378 PWs) bands (ev): -49.5618 -49.5618 -42.6038 -42.6038 -42.6038 -42.6038 -42.0662 -42.0662 -21.6400 -21.6400 -21.4823 -21.4823 -21.4233 -21.4233 -16.7613 -16.7610 -16.7292 -16.7292 -16.7211 -16.7209 -16.7137 -16.7137 -7.2248 -7.2248 -6.8367 -6.8366 -6.4787 -6.4786 -6.4420 -6.4419 -2.3961 -2.3960 -2.2832 -2.2825 -2.1833 -2.1822 -1.5021 -1.5019 -0.5681 -0.5663 -0.2053 -0.2039 0.3044 0.3053 0.3905 0.3914 5.9984 5.9991 6.4268 6.4269 6.5591 6.5603 7.9641 7.9641 8.0350 8.0354 k = 0.1429 0.0894 0.9428 ( 17370 PWs) bands (ev): -49.5617 -49.5617 -42.6038 -42.6038 -42.6038 -42.6038 -42.0662 -42.0662 -21.6400 -21.6400 -21.4823 -21.4823 -21.4233 -21.4233 -16.7613 -16.7610 -16.7292 -16.7292 -16.7211 -16.7208 -16.7137 -16.7137 -7.2248 -7.2248 -6.8367 -6.8366 -6.4787 -6.4786 -6.4421 -6.4419 -2.3961 -2.3959 -2.2800 -2.2791 -2.1873 -2.1860 -1.5021 -1.5019 -0.5653 -0.5634 -0.2078 -0.2061 0.3044 0.3054 0.3904 0.3915 6.0011 6.0019 6.4271 6.4272 6.5543 6.5556 7.9644 7.9644 8.0343 8.0347 k = 0.1607 0.1005 0.9428 ( 17362 PWs) bands (ev): -49.5617 -49.5617 -42.6038 -42.6038 -42.6038 -42.6038 -42.0662 -42.0662 -21.6400 -21.6400 -21.4823 -21.4823 -21.4233 -21.4233 -16.7613 -16.7610 -16.7292 -16.7292 -16.7212 -16.7208 -16.7137 -16.7137 -7.2248 -7.2247 -6.8367 -6.8367 -6.4787 -6.4785 -6.4421 -6.4419 -2.3961 -2.3959 -2.2767 -2.2756 -2.1913 -2.1898 -1.5022 -1.5019 -0.5627 -0.5605 -0.2101 -0.2083 0.3044 0.3054 0.3904 0.3915 6.0037 6.0046 6.4273 6.4274 6.5497 6.5511 7.9647 7.9648 8.0336 8.0341 k = 0.1786 0.1117 0.9428 ( 17360 PWs) bands (ev): -49.5617 -49.5617 -42.6038 -42.6038 -42.6038 -42.6038 -42.0662 -42.0662 -21.6400 -21.6400 -21.4823 -21.4823 -21.4233 -21.4233 -16.7614 -16.7610 -16.7292 -16.7292 -16.7212 -16.7208 -16.7137 -16.7137 -7.2248 -7.2247 -6.8367 -6.8367 -6.4787 -6.4785 -6.4421 -6.4420 -2.3961 -2.3959 -2.2735 -2.2722 -2.1952 -2.1935 -1.5022 -1.5019 -0.5603 -0.5580 -0.2122 -0.2103 0.3043 0.3054 0.3903 0.3915 6.0061 6.0071 6.4275 6.4276 6.5456 6.5470 7.9650 7.9651 8.0331 8.0336 k = 0.1964 0.1229 0.9428 ( 17360 PWs) bands (ev): -49.5617 -49.5617 -42.6038 -42.6038 -42.6038 -42.6038 -42.0662 -42.0662 -21.6400 -21.6400 -21.4823 -21.4823 -21.4233 -21.4233 -16.7614 -16.7610 -16.7292 -16.7292 -16.7212 -16.7208 -16.7137 -16.7137 -7.2248 -7.2247 -6.8367 -6.8367 -6.4786 -6.4785 -6.4421 -6.4420 -2.3960 -2.3958 -2.2706 -2.2691 -2.1988 -2.1969 -1.5022 -1.5019 -0.5582 -0.5558 -0.2140 -0.2119 0.3043 0.3054 0.3903 0.3916 6.0081 6.0091 6.4277 6.4278 6.5421 6.5436 7.9652 7.9653 8.0326 8.0331 k = 0.2143 0.1341 0.9428 ( 17364 PWs) bands (ev): -49.5617 -49.5617 -42.6038 -42.6038 -42.6038 -42.6038 -42.0662 -42.0662 -21.6400 -21.6400 -21.4823 -21.4823 -21.4233 -21.4233 -16.7614 -16.7610 -16.7292 -16.7292 -16.7212 -16.7208 -16.7137 -16.7137 -7.2248 -7.2247 -6.8368 -6.8367 -6.4786 -6.4785 -6.4422 -6.4420 -2.3960 -2.3958 -2.2681 -2.2665 -2.2017 -2.1996 -1.5022 -1.5019 -0.5567 -0.5541 -0.2154 -0.2132 0.3043 0.3055 0.3903 0.3916 6.0096 6.0107 6.4278 6.4280 6.5394 6.5411 7.9654 7.9655 8.0323 8.0328 k = 0.2321 0.1452 0.9428 ( 17370 PWs) bands (ev): -49.5617 -49.5617 -42.6038 -42.6038 -42.6038 -42.6038 -42.0662 -42.0662 -21.6400 -21.6400 -21.4823 -21.4823 -21.4233 -21.4233 -16.7614 -16.7610 -16.7292 -16.7292 -16.7212 -16.7208 -16.7137 -16.7137 -7.2247 -7.2247 -6.8368 -6.8367 -6.4786 -6.4785 -6.4422 -6.4420 -2.3960 -2.3958 -2.2665 -2.2647 -2.2036 -2.2014 -1.5022 -1.5019 -0.5557 -0.5531 -0.2162 -0.2140 0.3043 0.3055 0.3903 0.3916 6.0106 6.0117 6.4279 6.4281 6.5378 6.5394 7.9655 7.9656 8.0320 8.0326 k = 0.2500 0.1564 0.9428 ( 17356 PWs) bands (ev): -49.5617 -49.5617 -42.6038 -42.6038 -42.6038 -42.6038 -42.0662 -42.0662 -21.6400 -21.6400 -21.4823 -21.4823 -21.4233 -21.4233 -16.7614 -16.7610 -16.7292 -16.7292 -16.7212 -16.7208 -16.7137 -16.7137 -7.2247 -7.2247 -6.8368 -6.8367 -6.4786 -6.4785 -6.4422 -6.4420 -2.3960 -2.3958 -2.2660 -2.2641 -2.2043 -2.2020 -1.5022 -1.5019 -0.5554 -0.5528 -0.2165 -0.2143 0.3042 0.3055 0.3903 0.3916 6.0109 6.0120 6.4279 6.4281 6.5372 6.5389 7.9656 7.9656 8.0320 8.0325 Writing output data file NaLi3xH2Nx4.save init_run : 0.88s CPU 0.59s WALL ( 1 calls) electrons : 803.92s CPU 578.68s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.01s WALL ( 1 calls) potinit : 0.25s CPU 0.17s WALL ( 1 calls) Called by electrons: c_bands : 803.90s CPU 578.67s WALL ( 1 calls) v_of_rho : 0.04s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.04s CPU 0.02s WALL ( 1 calls) newd : 0.07s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.53s CPU 0.60s WALL ( 295 calls) cegterg : 622.04s CPU 470.30s WALL ( 374 calls) Called by sum_band: Called by *egterg: h_psi : 678.03s CPU 452.64s WALL ( 6287 calls) s_psi : 10.51s CPU 9.97s WALL ( 6287 calls) g_psi : 0.92s CPU 0.82s WALL ( 5618 calls) cdiaghg : 50.88s CPU 50.64s WALL ( 5913 calls) cegterg:over : 17.90s CPU 17.66s WALL ( 5618 calls) cegterg:upda : 17.86s CPU 18.41s WALL ( 5618 calls) cegterg:last : 9.77s CPU 9.75s WALL ( 964 calls) cdiaghg:chol : 3.00s CPU 2.93s WALL ( 5913 calls) cdiaghg:inve : 1.72s CPU 1.88s WALL ( 5913 calls) cdiaghg:para : 2.84s CPU 2.96s WALL ( 11826 calls) Called by h_psi: h_psi:vloc : 656.72s CPU 432.53s WALL ( 6287 calls) h_psi:vnl : 20.31s CPU 19.20s WALL ( 6287 calls) add_vuspsi : 8.91s CPU 8.25s WALL ( 6287 calls) General routines calbec : 11.36s CPU 10.93s WALL ( 6287 calls) fft : 0.05s CPU 0.03s WALL ( 15 calls) fftw : 630.77s CPU 409.41s WALL ( 711444 calls) davcio : 0.66s CPU 3.69s WALL ( 590 calls) Parallel routines fft_scatter : 124.32s CPU 105.86s WALL ( 711459 calls) PWSCF : 14m 7.36s CPU 10m49.75s WALL This run was terminated on: 4:25:35 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=