Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 19:53:48 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./BaxMnAsx2.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 99 99 28 2104 2104 316 Max 100 100 29 2107 2107 318 Sum 3599 3599 1015 75801 75801 11403 bravais-lattice index = 14 lattice parameter (alat) = 13.8829 a.u. unit-cell volume = 782.7630 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 50.00 number of Kohn-Sham states= 60 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 320.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 13.882925 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.840448 celldm(5)= -0.840448 celldm(6)= 0.680896 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.680896 0.732380 0.000000 ) a(3) = ( -0.840448 -0.366190 0.399439 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.929704 1.251754 ) b(2) = ( 0.000000 1.365412 1.251754 ) b(3) = ( 0.000000 0.000000 2.503508 ) PseudoPot. # 1 for Ba read from file: /users/gautes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for As read from file: /users/gautes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 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 1209 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. # 3 for Mn read from file: /users/gautes/Pseudo/Mn.rel-pbe-oncvpsp.UPF MD5 check sum: d838f0974ec4eb0180564ac5264e0bcc Pseudo is Norm-conserving, Zval = 15.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 1464 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 atomic species valence mass pseudopotential Ba 10.00 137.32700 Ba( 1.00) As 5.00 74.92160 As( 1.00) Mn 15.00 54.93800 Mn( 1.00) 4 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 1 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 332 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 2) = ( 0.0000000 0.0000000 0.0231806), wk = 0.0030120 k( 3) = ( 0.0000000 0.0000000 0.0463613), wk = 0.0030120 k( 4) = ( 0.0000000 0.0000000 0.0695419), wk = 0.0030120 k( 5) = ( 0.0000000 0.0000000 0.0927225), wk = 0.0030120 k( 6) = ( 0.0000000 0.0000000 0.1159032), wk = 0.0030120 k( 7) = ( 0.0000000 0.0000000 0.1390838), wk = 0.0030120 k( 8) = ( 0.0000000 0.0000000 0.1622644), wk = 0.0030120 k( 9) = ( 0.0000000 0.0000000 0.1854451), wk = 0.0030120 k( 10) = ( 0.0000000 0.0000000 0.2086257), wk = 0.0030120 k( 11) = ( 0.0000000 0.0000000 0.2318063), wk = 0.0030120 k( 12) = ( 0.0000000 0.0000000 0.2549870), wk = 0.0030120 k( 13) = ( 0.0000000 0.0000000 0.2781676), wk = 0.0030120 k( 14) = ( 0.0000000 0.0000000 0.3013482), wk = 0.0030120 k( 15) = ( 0.0000000 0.0000000 0.3245289), wk = 0.0030120 k( 16) = ( 0.0000000 0.0000000 0.3477095), wk = 0.0030120 k( 17) = ( 0.0000000 0.0000000 0.3708901), wk = 0.0030120 k( 18) = ( 0.0000000 0.0000000 0.3940708), wk = 0.0030120 k( 19) = ( 0.0000000 0.0000000 0.4172514), wk = 0.0030120 k( 20) = ( 0.0000000 0.0000000 0.4404320), wk = 0.0030120 k( 21) = ( 0.0000000 0.0000000 0.4636127), wk = 0.0030120 k( 22) = ( 0.0000000 0.0000000 0.4867933), wk = 0.0030120 k( 23) = ( 0.0000000 0.0000000 0.5099739), wk = 0.0030120 k( 24) = ( 0.0000000 0.0000000 0.5331545), wk = 0.0030120 k( 25) = ( 0.0000000 0.0000000 0.5563352), wk = 0.0030120 k( 26) = ( 0.0000000 0.0000000 0.5795158), wk = 0.0030120 k( 27) = ( 0.0000000 0.0000000 0.6026965), wk = 0.0030120 k( 28) = ( 0.0000000 0.0000000 0.6258771), wk = 0.0030120 k( 29) = ( 0.0000000 0.0000000 0.6490577), wk = 0.0030120 k( 30) = ( 0.0000000 0.0000000 0.6722384), wk = 0.0030120 k( 31) = ( 0.0000000 0.0000000 0.6954190), wk = 0.0030120 k( 32) = ( 0.0000000 0.0000000 0.7185996), wk = 0.0030120 k( 33) = ( 0.0000000 0.0000000 0.7417803), wk = 0.0030120 k( 34) = ( 0.0000000 0.0000000 0.7649609), wk = 0.0030120 k( 35) = ( 0.0000000 0.0000000 0.7881415), wk = 0.0030120 k( 36) = ( 0.0000000 0.0000000 0.8113221), wk = 0.0030120 k( 37) = ( 0.0000000 0.0000000 0.8345028), wk = 0.0030120 k( 38) = ( 0.0000000 0.0000000 0.8576834), wk = 0.0030120 k( 39) = ( 0.0000000 0.0000000 0.8808640), wk = 0.0030120 k( 40) = ( 0.0000000 0.0000000 0.9040447), wk = 0.0030120 k( 41) = ( 0.0000000 0.0000000 0.9272253), wk = 0.0030120 k( 42) = ( 0.0000000 0.0000000 0.9504059), wk = 0.0030120 k( 43) = ( 0.0000000 0.0000000 0.9735866), wk = 0.0030120 k( 44) = ( 0.0000000 0.0000000 0.9967672), wk = 0.0030120 k( 45) = ( 0.0000000 0.0000000 1.0199479), wk = 0.0030120 k( 46) = ( 0.0000000 0.0000000 1.0431285), wk = 0.0030120 k( 47) = ( 0.0000000 0.0000000 1.0663091), wk = 0.0030120 k( 48) = ( 0.0000000 0.0000000 1.0894898), wk = 0.0030120 k( 49) = ( 0.0000000 0.0000000 1.1126704), wk = 0.0030120 k( 50) = ( 0.0000000 0.0000000 1.1358510), wk = 0.0030120 k( 51) = ( 0.0000000 0.0000000 1.1590316), wk = 0.0030120 k( 52) = ( 0.0000000 0.0000000 1.1822123), wk = 0.0030120 k( 53) = ( 0.0000000 0.0000000 1.2053929), wk = 0.0030120 k( 54) = ( 0.0000000 0.0000000 1.2285735), wk = 0.0030120 k( 55) = ( 0.0000000 0.0000000 1.2517542), wk = 0.0030120 k( 56) = ( 0.0000000 0.0000000 1.2517542), wk = 0.0030120 k( 57) = ( -0.0079101 0.0181545 1.2517542), wk = 0.0030120 k( 58) = ( -0.0158201 0.0363090 1.2517542), wk = 0.0030120 k( 59) = ( -0.0237302 0.0544635 1.2517542), wk = 0.0030120 k( 60) = ( -0.0316402 0.0726180 1.2517542), wk = 0.0030120 k( 61) = ( -0.0395503 0.0907725 1.2517542), wk = 0.0030120 k( 62) = ( -0.0474604 0.1089270 1.2517542), wk = 0.0030120 k( 63) = ( -0.0474604 0.1089270 1.2517542), wk = 0.0030120 k( 64) = ( -0.0539252 0.1237646 1.2355694), wk = 0.0030120 k( 65) = ( -0.0603901 0.1386021 1.2193846), wk = 0.0030120 k( 66) = ( -0.0668549 0.1534397 1.2031997), wk = 0.0030120 k( 67) = ( -0.0733198 0.1682773 1.1870149), wk = 0.0030120 k( 68) = ( -0.0797846 0.1831149 1.1708301), wk = 0.0030120 k( 69) = ( -0.0862495 0.1979525 1.1546453), wk = 0.0030120 k( 70) = ( -0.0927143 0.2127901 1.1384605), wk = 0.0030120 k( 71) = ( -0.0991792 0.2276276 1.1222757), wk = 0.0030120 k( 72) = ( -0.1056440 0.2424652 1.1060909), wk = 0.0030120 k( 73) = ( -0.1121089 0.2573028 1.0899061), wk = 0.0030120 k( 74) = ( -0.1185737 0.2721404 1.0737213), wk = 0.0030120 k( 75) = ( -0.1250386 0.2869780 1.0575365), wk = 0.0030120 k( 76) = ( -0.1315034 0.3018155 1.0413516), wk = 0.0030120 k( 77) = ( -0.1379683 0.3166531 1.0251668), wk = 0.0030120 k( 78) = ( -0.1444331 0.3314907 1.0089820), wk = 0.0030120 k( 79) = ( -0.1508980 0.3463283 0.9927972), wk = 0.0030120 k( 80) = ( -0.1573628 0.3611659 0.9766124), wk = 0.0030120 k( 81) = ( -0.1638277 0.3760034 0.9604276), wk = 0.0030120 k( 82) = ( -0.1702925 0.3908410 0.9442428), wk = 0.0030120 k( 83) = ( -0.1767574 0.4056786 0.9280580), wk = 0.0030120 k( 84) = ( -0.1832223 0.4205162 0.9118732), wk = 0.0030120 k( 85) = ( -0.1896871 0.4353538 0.8956883), wk = 0.0030120 k( 86) = ( -0.1961519 0.4501913 0.8795035), wk = 0.0030120 k( 87) = ( -0.2026168 0.4650289 0.8633187), wk = 0.0030120 k( 88) = ( -0.2090817 0.4798665 0.8471339), wk = 0.0030120 k( 89) = ( -0.2155465 0.4947041 0.8309491), wk = 0.0030120 k( 90) = ( -0.2220114 0.5095417 0.8147643), wk = 0.0030120 k( 91) = ( -0.2284762 0.5243792 0.7985795), wk = 0.0030120 k( 92) = ( -0.2349411 0.5392168 0.7823947), wk = 0.0030120 k( 93) = ( -0.2414059 0.5540544 0.7662098), wk = 0.0030120 k( 94) = ( -0.2478708 0.5688920 0.7500250), wk = 0.0030120 k( 95) = ( -0.2543356 0.5837296 0.7338402), wk = 0.0030120 k( 96) = ( -0.2608005 0.5985671 0.7176554), wk = 0.0030120 k( 97) = ( -0.2672653 0.6134047 0.7014706), wk = 0.0030120 k( 98) = ( -0.2737302 0.6282423 0.6852858), wk = 0.0030120 k( 99) = ( -0.2737302 0.6282423 0.6852858), wk = 0.0030120 k( 100) = ( -0.2672128 0.6132842 0.6689695), wk = 0.0030120 k( 101) = ( -0.2606954 0.5983260 0.6526531), wk = 0.0030120 k( 102) = ( -0.2541780 0.5833679 0.6363368), wk = 0.0030120 k( 103) = ( -0.2476606 0.5684097 0.6200205), wk = 0.0030120 k( 104) = ( -0.2411433 0.5534516 0.6037041), wk = 0.0030120 k( 105) = ( -0.2346259 0.5384934 0.5873878), wk = 0.0030120 k( 106) = ( -0.2281085 0.5235353 0.5710715), wk = 0.0030120 k( 107) = ( -0.2215911 0.5085771 0.5547552), wk = 0.0030120 k( 108) = ( -0.2150737 0.4936190 0.5384388), wk = 0.0030120 k( 109) = ( -0.2085563 0.4786608 0.5221225), wk = 0.0030120 k( 110) = ( -0.2020389 0.4637027 0.5058062), wk = 0.0030120 k( 111) = ( -0.1955216 0.4487445 0.4894899), wk = 0.0030120 k( 112) = ( -0.1890042 0.4337864 0.4731735), wk = 0.0030120 k( 113) = ( -0.1824868 0.4188282 0.4568572), wk = 0.0030120 k( 114) = ( -0.1759694 0.4038701 0.4405409), wk = 0.0030120 k( 115) = ( -0.1694520 0.3889119 0.4242245), wk = 0.0030120 k( 116) = ( -0.1629346 0.3739538 0.4079082), wk = 0.0030120 k( 117) = ( -0.1564173 0.3589956 0.3915919), wk = 0.0030120 k( 118) = ( -0.1498999 0.3440375 0.3752756), wk = 0.0030120 k( 119) = ( -0.1433825 0.3290793 0.3589592), wk = 0.0030120 k( 120) = ( -0.1368651 0.3141212 0.3426429), wk = 0.0030120 k( 121) = ( -0.1303477 0.2991630 0.3263266), wk = 0.0030120 k( 122) = ( -0.1238303 0.2842049 0.3100102), wk = 0.0030120 k( 123) = ( -0.1173129 0.2692467 0.2936939), wk = 0.0030120 k( 124) = ( -0.1107956 0.2542886 0.2773776), wk = 0.0030120 k( 125) = ( -0.1042782 0.2393304 0.2610612), wk = 0.0030120 k( 126) = ( -0.0977608 0.2243723 0.2447449), wk = 0.0030120 k( 127) = ( -0.0912434 0.2094141 0.2284286), wk = 0.0030120 k( 128) = ( -0.0847260 0.1944560 0.2121123), wk = 0.0030120 k( 129) = ( -0.0782086 0.1794978 0.1957959), wk = 0.0030120 k( 130) = ( -0.0716912 0.1645397 0.1794796), wk = 0.0030120 k( 131) = ( -0.0651739 0.1495815 0.1631633), wk = 0.0030120 k( 132) = ( -0.0586565 0.1346234 0.1468470), wk = 0.0030120 k( 133) = ( -0.0521391 0.1196652 0.1305306), wk = 0.0030120 k( 134) = ( -0.0456217 0.1047071 0.1142143), wk = 0.0030120 k( 135) = ( -0.0391043 0.0897489 0.0978980), wk = 0.0030120 k( 136) = ( -0.0325869 0.0747908 0.0815817), wk = 0.0030120 k( 137) = ( -0.0260695 0.0598326 0.0652653), wk = 0.0030120 k( 138) = ( -0.0195522 0.0448745 0.0489490), wk = 0.0030120 k( 139) = ( -0.0130348 0.0299163 0.0326327), wk = 0.0030120 k( 140) = ( -0.0065174 0.0149582 0.0163163), wk = 0.0030120 k( 141) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 142) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 143) = ( 0.0208333 0.0090772 0.0000000), wk = 0.0030120 k( 144) = ( 0.0416667 0.0181545 0.0000000), wk = 0.0030120 k( 145) = ( 0.0625000 0.0272317 0.0000000), wk = 0.0030120 k( 146) = ( 0.0833333 0.0363090 0.0000000), wk = 0.0030120 k( 147) = ( 0.1041667 0.0453862 0.0000000), wk = 0.0030120 k( 148) = ( 0.1250000 0.0544635 0.0000000), wk = 0.0030120 k( 149) = ( 0.1458333 0.0635407 0.0000000), wk = 0.0030120 k( 150) = ( 0.1666667 0.0726180 0.0000000), wk = 0.0030120 k( 151) = ( 0.1875000 0.0816952 0.0000000), wk = 0.0030120 k( 152) = ( 0.2083333 0.0907725 0.0000000), wk = 0.0030120 k( 153) = ( 0.2291667 0.0998497 0.0000000), wk = 0.0030120 k( 154) = ( 0.2500000 0.1089270 0.0000000), wk = 0.0030120 k( 155) = ( 0.2708333 0.1180042 0.0000000), wk = 0.0030120 k( 156) = ( 0.2916667 0.1270815 0.0000000), wk = 0.0030120 k( 157) = ( 0.3125000 0.1361587 0.0000000), wk = 0.0030120 k( 158) = ( 0.3333333 0.1452360 0.0000000), wk = 0.0030120 k( 159) = ( 0.3541667 0.1543132 0.0000000), wk = 0.0030120 k( 160) = ( 0.3750000 0.1633905 0.0000000), wk = 0.0030120 k( 161) = ( 0.3958333 0.1724677 0.0000000), wk = 0.0030120 k( 162) = ( 0.4166667 0.1815450 0.0000000), wk = 0.0030120 k( 163) = ( 0.4375000 0.1906222 0.0000000), wk = 0.0030120 k( 164) = ( 0.4583333 0.1996995 0.0000000), wk = 0.0030120 k( 165) = ( 0.4791667 0.2087767 0.0000000), wk = 0.0030120 k( 166) = ( 0.5000000 0.2178540 0.0000000), wk = 0.0030120 k( 167) = ( 0.5000000 0.2178540 0.0000000), wk = 0.0030120 k( 168) = ( 0.4935351 0.2326916 0.0161848), wk = 0.0030120 k( 169) = ( 0.4870703 0.2475291 0.0323696), wk = 0.0030120 k( 170) = ( 0.4806054 0.2623667 0.0485544), wk = 0.0030120 k( 171) = ( 0.4741406 0.2772043 0.0647392), wk = 0.0030120 k( 172) = ( 0.4676757 0.2920419 0.0809241), wk = 0.0030120 k( 173) = ( 0.4612109 0.3068795 0.0971089), wk = 0.0030120 k( 174) = ( 0.4547460 0.3217170 0.1132937), wk = 0.0030120 k( 175) = ( 0.4482812 0.3365546 0.1294785), wk = 0.0030120 k( 176) = ( 0.4418163 0.3513922 0.1456633), wk = 0.0030120 k( 177) = ( 0.4353515 0.3662298 0.1618481), wk = 0.0030120 k( 178) = ( 0.4288866 0.3810674 0.1780329), wk = 0.0030120 k( 179) = ( 0.4224218 0.3959049 0.1942177), wk = 0.0030120 k( 180) = ( 0.4159569 0.4107425 0.2104026), wk = 0.0030120 k( 181) = ( 0.4094921 0.4255801 0.2265874), wk = 0.0030120 k( 182) = ( 0.4030272 0.4404177 0.2427722), wk = 0.0030120 k( 183) = ( 0.3965624 0.4552553 0.2589570), wk = 0.0030120 k( 184) = ( 0.3900975 0.4700928 0.2751418), wk = 0.0030120 k( 185) = ( 0.3836327 0.4849304 0.2913266), wk = 0.0030120 k( 186) = ( 0.3771678 0.4997680 0.3075114), wk = 0.0030120 k( 187) = ( 0.3707030 0.5146056 0.3236962), wk = 0.0030120 k( 188) = ( 0.3642381 0.5294432 0.3398810), wk = 0.0030120 k( 189) = ( 0.3577733 0.5442807 0.3560658), wk = 0.0030120 k( 190) = ( 0.3513084 0.5591183 0.3722507), wk = 0.0030120 k( 191) = ( 0.3448435 0.5739559 0.3884355), wk = 0.0030120 k( 192) = ( 0.3383787 0.5887935 0.4046203), wk = 0.0030120 k( 193) = ( 0.3319139 0.6036311 0.4208051), wk = 0.0030120 k( 194) = ( 0.3254490 0.6184686 0.4369899), wk = 0.0030120 k( 195) = ( 0.3189841 0.6333062 0.4531747), wk = 0.0030120 k( 196) = ( 0.3125193 0.6481438 0.4693595), wk = 0.0030120 k( 197) = ( 0.3060544 0.6629814 0.4855443), wk = 0.0030120 k( 198) = ( 0.2995896 0.6778190 0.5017291), wk = 0.0030120 k( 199) = ( 0.2931247 0.6926566 0.5179140), wk = 0.0030120 k( 200) = ( 0.2866599 0.7074941 0.5340988), wk = 0.0030120 k( 201) = ( 0.2801950 0.7223317 0.5502836), wk = 0.0030120 k( 202) = ( 0.2737302 0.7371693 0.5664684), wk = 0.0030120 k( 203) = ( 0.2737302 0.7371693 0.5664684), wk = 0.0030120 k( 204) = ( 0.2526740 0.7329798 0.5710383), wk = 0.0030120 k( 205) = ( 0.2316178 0.7287903 0.5756082), wk = 0.0030120 k( 206) = ( 0.2105617 0.7246008 0.5801781), wk = 0.0030120 k( 207) = ( 0.1895055 0.7204113 0.5847480), wk = 0.0030120 k( 208) = ( 0.1684493 0.7162218 0.5893179), wk = 0.0030120 k( 209) = ( 0.1473932 0.7120323 0.5938878), wk = 0.0030120 k( 210) = ( 0.1263370 0.7078428 0.5984577), wk = 0.0030120 k( 211) = ( 0.1052808 0.7036533 0.6030276), wk = 0.0030120 k( 212) = ( 0.0842247 0.6994638 0.6075975), wk = 0.0030120 k( 213) = ( 0.0631685 0.6952743 0.6121674), wk = 0.0030120 k( 214) = ( 0.0421123 0.6910848 0.6167373), wk = 0.0030120 k( 215) = ( 0.0210562 0.6868953 0.6213072), wk = 0.0030120 k( 216) = ( 0.0000000 0.6827058 0.6258771), wk = 0.0030120 k( 217) = ( 0.0000000 0.6827058 0.6258771), wk = 0.0030120 k( 218) = ( 0.0065790 0.6676064 0.6423475), wk = 0.0030120 k( 219) = ( 0.0131579 0.6525069 0.6588180), wk = 0.0030120 k( 220) = ( 0.0197368 0.6374075 0.6752884), wk = 0.0030120 k( 221) = ( 0.0263158 0.6223080 0.6917589), wk = 0.0030120 k( 222) = ( 0.0328947 0.6072086 0.7082293), wk = 0.0030120 k( 223) = ( 0.0394737 0.5921092 0.7246998), wk = 0.0030120 k( 224) = ( 0.0460526 0.5770097 0.7411702), wk = 0.0030120 k( 225) = ( 0.0526316 0.5619103 0.7576407), wk = 0.0030120 k( 226) = ( 0.0592105 0.5468108 0.7741111), wk = 0.0030120 k( 227) = ( 0.0657895 0.5317114 0.7905816), wk = 0.0030120 k( 228) = ( 0.0723684 0.5166119 0.8070520), wk = 0.0030120 k( 229) = ( 0.0789474 0.5015125 0.8235225), wk = 0.0030120 k( 230) = ( 0.0855263 0.4864130 0.8399929), wk = 0.0030120 k( 231) = ( 0.0921053 0.4713136 0.8564634), wk = 0.0030120 k( 232) = ( 0.0986842 0.4562142 0.8729338), wk = 0.0030120 k( 233) = ( 0.1052632 0.4411147 0.8894043), wk = 0.0030120 k( 234) = ( 0.1118421 0.4260153 0.9058747), wk = 0.0030120 k( 235) = ( 0.1184210 0.4109158 0.9223452), wk = 0.0030120 k( 236) = ( 0.1250000 0.3958164 0.9388156), wk = 0.0030120 k( 237) = ( 0.1315790 0.3807170 0.9552861), wk = 0.0030120 k( 238) = ( 0.1381579 0.3656175 0.9717565), wk = 0.0030120 k( 239) = ( 0.1447368 0.3505181 0.9882270), wk = 0.0030120 k( 240) = ( 0.1513158 0.3354186 1.0046974), wk = 0.0030120 k( 241) = ( 0.1578947 0.3203192 1.0211679), wk = 0.0030120 k( 242) = ( 0.1644737 0.3052198 1.0376383), wk = 0.0030120 k( 243) = ( 0.1710526 0.2901203 1.0541088), wk = 0.0030120 k( 244) = ( 0.1776316 0.2750209 1.0705792), wk = 0.0030120 k( 245) = ( 0.1842105 0.2599214 1.0870497), wk = 0.0030120 k( 246) = ( 0.1907895 0.2448220 1.1035201), wk = 0.0030120 k( 247) = ( 0.1973684 0.2297225 1.1199906), wk = 0.0030120 k( 248) = ( 0.2039474 0.2146231 1.1364610), wk = 0.0030120 k( 249) = ( 0.2105263 0.1995236 1.1529315), wk = 0.0030120 k( 250) = ( 0.2171053 0.1844242 1.1694019), wk = 0.0030120 k( 251) = ( 0.2236842 0.1693248 1.1858724), wk = 0.0030120 k( 252) = ( 0.2302632 0.1542253 1.2023428), wk = 0.0030120 k( 253) = ( 0.2368421 0.1391259 1.2188133), wk = 0.0030120 k( 254) = ( 0.2434210 0.1240264 1.2352837), wk = 0.0030120 k( 255) = ( 0.2500000 0.1089270 1.2517542), wk = 0.0030120 k( 256) = ( 0.2500000 0.1089270 1.2517542), wk = 0.0030120 k( 257) = ( 0.2692308 0.1173060 1.2426144), wk = 0.0030120 k( 258) = ( 0.2884615 0.1256850 1.2334746), wk = 0.0030120 k( 259) = ( 0.3076923 0.1340640 1.2243348), wk = 0.0030120 k( 260) = ( 0.3269231 0.1424430 1.2151950), wk = 0.0030120 k( 261) = ( 0.3461538 0.1508220 1.2060552), wk = 0.0030120 k( 262) = ( 0.3653846 0.1592010 1.1969154), wk = 0.0030120 k( 263) = ( 0.3846154 0.1675800 1.1877756), wk = 0.0030120 k( 264) = ( 0.4038462 0.1759590 1.1786358), wk = 0.0030120 k( 265) = ( 0.4230769 0.1843380 1.1694960), wk = 0.0030120 k( 266) = ( 0.4423077 0.1927170 1.1603562), wk = 0.0030120 k( 267) = ( 0.4615385 0.2010960 1.1512164), wk = 0.0030120 k( 268) = ( 0.4807692 0.2094750 1.1420766), wk = 0.0030120 k( 269) = ( 0.5000000 0.2178540 1.1329368), wk = 0.0030120 k( 270) = ( 0.5000000 0.2178540 1.1329368), wk = 0.0030120 k( 271) = ( 0.5000000 0.2178540 1.1098156), wk = 0.0030120 k( 272) = ( 0.5000000 0.2178540 1.0866945), wk = 0.0030120 k( 273) = ( 0.5000000 0.2178540 1.0635733), wk = 0.0030120 k( 274) = ( 0.5000000 0.2178540 1.0404521), wk = 0.0030120 k( 275) = ( 0.5000000 0.2178540 1.0173310), wk = 0.0030120 k( 276) = ( 0.5000000 0.2178540 0.9942098), wk = 0.0030120 k( 277) = ( 0.5000000 0.2178540 0.9710887), wk = 0.0030120 k( 278) = ( 0.5000000 0.2178540 0.9479675), wk = 0.0030120 k( 279) = ( 0.5000000 0.2178540 0.9248464), wk = 0.0030120 k( 280) = ( 0.5000000 0.2178540 0.9017252), wk = 0.0030120 k( 281) = ( 0.5000000 0.2178540 0.8786040), wk = 0.0030120 k( 282) = ( 0.5000000 0.2178540 0.8554829), wk = 0.0030120 k( 283) = ( 0.5000000 0.2178540 0.8323617), wk = 0.0030120 k( 284) = ( 0.5000000 0.2178540 0.8092405), wk = 0.0030120 k( 285) = ( 0.5000000 0.2178540 0.7861194), wk = 0.0030120 k( 286) = ( 0.5000000 0.2178540 0.7629982), wk = 0.0030120 k( 287) = ( 0.5000000 0.2178540 0.7398771), wk = 0.0030120 k( 288) = ( 0.5000000 0.2178540 0.7167559), wk = 0.0030120 k( 289) = ( 0.5000000 0.2178540 0.6936348), wk = 0.0030120 k( 290) = ( 0.5000000 0.2178540 0.6705136), wk = 0.0030120 k( 291) = ( 0.5000000 0.2178540 0.6473924), wk = 0.0030120 k( 292) = ( 0.5000000 0.2178540 0.6242713), wk = 0.0030120 k( 293) = ( 0.5000000 0.2178540 0.6011501), wk = 0.0030120 k( 294) = ( 0.5000000 0.2178540 0.5780290), wk = 0.0030120 k( 295) = ( 0.5000000 0.2178540 0.5549078), wk = 0.0030120 k( 296) = ( 0.5000000 0.2178540 0.5317867), wk = 0.0030120 k( 297) = ( 0.5000000 0.2178540 0.5086655), wk = 0.0030120 k( 298) = ( 0.5000000 0.2178540 0.4855443), wk = 0.0030120 k( 299) = ( 0.5000000 0.2178540 0.4624232), wk = 0.0030120 k( 300) = ( 0.5000000 0.2178540 0.4393020), wk = 0.0030120 k( 301) = ( 0.5000000 0.2178540 0.4161809), wk = 0.0030120 k( 302) = ( 0.5000000 0.2178540 0.3930597), wk = 0.0030120 k( 303) = ( 0.5000000 0.2178540 0.3699385), wk = 0.0030120 k( 304) = ( 0.5000000 0.2178540 0.3468174), wk = 0.0030120 k( 305) = ( 0.5000000 0.2178540 0.3236962), wk = 0.0030120 k( 306) = ( 0.5000000 0.2178540 0.3005751), wk = 0.0030120 k( 307) = ( 0.5000000 0.2178540 0.2774539), wk = 0.0030120 k( 308) = ( 0.5000000 0.2178540 0.2543327), wk = 0.0030120 k( 309) = ( 0.5000000 0.2178540 0.2312116), wk = 0.0030120 k( 310) = ( 0.5000000 0.2178540 0.2080904), wk = 0.0030120 k( 311) = ( 0.5000000 0.2178540 0.1849693), wk = 0.0030120 k( 312) = ( 0.5000000 0.2178540 0.1618481), wk = 0.0030120 k( 313) = ( 0.5000000 0.2178540 0.1387270), wk = 0.0030120 k( 314) = ( 0.5000000 0.2178540 0.1156058), wk = 0.0030120 k( 315) = ( 0.5000000 0.2178540 0.0924846), wk = 0.0030120 k( 316) = ( 0.5000000 0.2178540 0.0693635), wk = 0.0030120 k( 317) = ( 0.5000000 0.2178540 0.0462423), wk = 0.0030120 k( 318) = ( 0.5000000 0.2178540 0.0231212), wk = 0.0030120 k( 319) = ( 0.5000000 0.2178540 0.0000000), wk = 0.0030120 k( 320) = ( 0.0000000 0.0000000 1.2517542), wk = 0.0030120 k( 321) = ( 0.0208333 0.0090772 1.2517542), wk = 0.0030120 k( 322) = ( 0.0416667 0.0181545 1.2517542), wk = 0.0030120 k( 323) = ( 0.0625000 0.0272317 1.2517542), wk = 0.0030120 k( 324) = ( 0.0833333 0.0363090 1.2517542), wk = 0.0030120 k( 325) = ( 0.1041667 0.0453862 1.2517542), wk = 0.0030120 k( 326) = ( 0.1250000 0.0544635 1.2517542), wk = 0.0030120 k( 327) = ( 0.1458333 0.0635407 1.2517542), wk = 0.0030120 k( 328) = ( 0.1666667 0.0726180 1.2517542), wk = 0.0030120 k( 329) = ( 0.1875000 0.0816952 1.2517542), wk = 0.0030120 k( 330) = ( 0.2083333 0.0907725 1.2517542), wk = 0.0030120 k( 331) = ( 0.2291667 0.0998497 1.2517542), wk = 0.0030120 k( 332) = ( 0.2500000 0.1089270 1.2517542), wk = 0.0030120 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 2) = ( 0.0000000 0.0000000 0.0092593), wk = 0.0030120 k( 3) = ( 0.0000000 0.0000000 0.0185185), wk = 0.0030120 k( 4) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0030120 k( 5) = ( 0.0000000 0.0000000 0.0370370), wk = 0.0030120 k( 6) = ( 0.0000000 0.0000000 0.0462963), wk = 0.0030120 k( 7) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0030120 k( 8) = ( 0.0000000 0.0000000 0.0648148), wk = 0.0030120 k( 9) = ( 0.0000000 0.0000000 0.0740741), wk = 0.0030120 k( 10) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0030120 k( 11) = ( 0.0000000 0.0000000 0.0925926), wk = 0.0030120 k( 12) = ( 0.0000000 0.0000000 0.1018518), wk = 0.0030120 k( 13) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0030120 k( 14) = ( 0.0000000 0.0000000 0.1203704), wk = 0.0030120 k( 15) = ( 0.0000000 0.0000000 0.1296296), wk = 0.0030120 k( 16) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0030120 k( 17) = ( 0.0000000 0.0000000 0.1481482), wk = 0.0030120 k( 18) = ( 0.0000000 0.0000000 0.1574074), wk = 0.0030120 k( 19) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0030120 k( 20) = ( 0.0000000 0.0000000 0.1759259), wk = 0.0030120 k( 21) = ( 0.0000000 0.0000000 0.1851852), wk = 0.0030120 k( 22) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0030120 k( 23) = ( 0.0000000 0.0000000 0.2037037), wk = 0.0030120 k( 24) = ( 0.0000000 0.0000000 0.2129630), wk = 0.0030120 k( 25) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0030120 k( 26) = ( 0.0000000 0.0000000 0.2314815), wk = 0.0030120 k( 27) = ( 0.0000000 0.0000000 0.2407407), wk = 0.0030120 k( 28) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0030120 k( 29) = ( 0.0000000 0.0000000 0.2592593), wk = 0.0030120 k( 30) = ( 0.0000000 0.0000000 0.2685185), wk = 0.0030120 k( 31) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0030120 k( 32) = ( 0.0000000 0.0000000 0.2870370), wk = 0.0030120 k( 33) = ( 0.0000000 0.0000000 0.2962963), wk = 0.0030120 k( 34) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0030120 k( 35) = ( 0.0000000 0.0000000 0.3148148), wk = 0.0030120 k( 36) = ( 0.0000000 0.0000000 0.3240741), wk = 0.0030120 k( 37) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0030120 k( 38) = ( 0.0000000 0.0000000 0.3425926), wk = 0.0030120 k( 39) = ( 0.0000000 0.0000000 0.3518518), wk = 0.0030120 k( 40) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0030120 k( 41) = ( 0.0000000 0.0000000 0.3703704), wk = 0.0030120 k( 42) = ( 0.0000000 0.0000000 0.3796296), wk = 0.0030120 k( 43) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0030120 k( 44) = ( 0.0000000 0.0000000 0.3981481), wk = 0.0030120 k( 45) = ( 0.0000000 0.0000000 0.4074074), wk = 0.0030120 k( 46) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0030120 k( 47) = ( 0.0000000 0.0000000 0.4259259), wk = 0.0030120 k( 48) = ( 0.0000000 0.0000000 0.4351852), wk = 0.0030120 k( 49) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0030120 k( 50) = ( 0.0000000 0.0000000 0.4537037), wk = 0.0030120 k( 51) = ( 0.0000000 0.0000000 0.4629630), wk = 0.0030120 k( 52) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0030120 k( 53) = ( 0.0000000 0.0000000 0.4814815), wk = 0.0030120 k( 54) = ( 0.0000000 0.0000000 0.4907407), wk = 0.0030120 k( 55) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030120 k( 56) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030120 k( 57) = ( -0.0079101 0.0079101 0.5000000), wk = 0.0030120 k( 58) = ( -0.0158201 0.0158201 0.5000000), wk = 0.0030120 k( 59) = ( -0.0237302 0.0237302 0.5000000), wk = 0.0030120 k( 60) = ( -0.0316402 0.0316402 0.5000000), wk = 0.0030120 k( 61) = ( -0.0395503 0.0395503 0.5000000), wk = 0.0030120 k( 62) = ( -0.0474604 0.0474604 0.5000000), wk = 0.0030120 k( 63) = ( -0.0474604 0.0474604 0.5000000), wk = 0.0030120 k( 64) = ( -0.0539252 0.0539252 0.4935351), wk = 0.0030120 k( 65) = ( -0.0603901 0.0603901 0.4870703), wk = 0.0030120 k( 66) = ( -0.0668549 0.0668549 0.4806054), wk = 0.0030120 k( 67) = ( -0.0733198 0.0733198 0.4741406), wk = 0.0030120 k( 68) = ( -0.0797846 0.0797846 0.4676757), wk = 0.0030120 k( 69) = ( -0.0862495 0.0862495 0.4612109), wk = 0.0030120 k( 70) = ( -0.0927143 0.0927143 0.4547460), wk = 0.0030120 k( 71) = ( -0.0991792 0.0991792 0.4482812), wk = 0.0030120 k( 72) = ( -0.1056440 0.1056440 0.4418163), wk = 0.0030120 k( 73) = ( -0.1121089 0.1121089 0.4353515), wk = 0.0030120 k( 74) = ( -0.1185737 0.1185737 0.4288866), wk = 0.0030120 k( 75) = ( -0.1250386 0.1250386 0.4224218), wk = 0.0030120 k( 76) = ( -0.1315034 0.1315034 0.4159569), wk = 0.0030120 k( 77) = ( -0.1379683 0.1379683 0.4094921), wk = 0.0030120 k( 78) = ( -0.1444331 0.1444331 0.4030272), wk = 0.0030120 k( 79) = ( -0.1508980 0.1508980 0.3965624), wk = 0.0030120 k( 80) = ( -0.1573628 0.1573628 0.3900975), wk = 0.0030120 k( 81) = ( -0.1638277 0.1638277 0.3836327), wk = 0.0030120 k( 82) = ( -0.1702925 0.1702925 0.3771678), wk = 0.0030120 k( 83) = ( -0.1767574 0.1767574 0.3707030), wk = 0.0030120 k( 84) = ( -0.1832223 0.1832222 0.3642381), wk = 0.0030120 k( 85) = ( -0.1896871 0.1896871 0.3577733), wk = 0.0030120 k( 86) = ( -0.1961519 0.1961519 0.3513084), wk = 0.0030120 k( 87) = ( -0.2026168 0.2026168 0.3448435), wk = 0.0030120 k( 88) = ( -0.2090817 0.2090817 0.3383787), wk = 0.0030120 k( 89) = ( -0.2155465 0.2155465 0.3319138), wk = 0.0030120 k( 90) = ( -0.2220114 0.2220114 0.3254490), wk = 0.0030120 k( 91) = ( -0.2284762 0.2284762 0.3189841), wk = 0.0030120 k( 92) = ( -0.2349411 0.2349411 0.3125193), wk = 0.0030120 k( 93) = ( -0.2414059 0.2414059 0.3060544), wk = 0.0030120 k( 94) = ( -0.2478708 0.2478708 0.2995896), wk = 0.0030120 k( 95) = ( -0.2543356 0.2543356 0.2931247), wk = 0.0030120 k( 96) = ( -0.2608005 0.2608005 0.2866599), wk = 0.0030120 k( 97) = ( -0.2672653 0.2672653 0.2801950), wk = 0.0030120 k( 98) = ( -0.2737302 0.2737302 0.2737302), wk = 0.0030120 k( 99) = ( -0.2737302 0.2737302 0.2737302), wk = 0.0030120 k( 100) = ( -0.2672128 0.2672128 0.2672128), wk = 0.0030120 k( 101) = ( -0.2606954 0.2606954 0.2606954), wk = 0.0030120 k( 102) = ( -0.2541780 0.2541780 0.2541780), wk = 0.0030120 k( 103) = ( -0.2476606 0.2476606 0.2476606), wk = 0.0030120 k( 104) = ( -0.2411433 0.2411433 0.2411433), wk = 0.0030120 k( 105) = ( -0.2346259 0.2346259 0.2346259), wk = 0.0030120 k( 106) = ( -0.2281085 0.2281085 0.2281085), wk = 0.0030120 k( 107) = ( -0.2215911 0.2215911 0.2215911), wk = 0.0030120 k( 108) = ( -0.2150737 0.2150737 0.2150737), wk = 0.0030120 k( 109) = ( -0.2085563 0.2085563 0.2085563), wk = 0.0030120 k( 110) = ( -0.2020389 0.2020389 0.2020389), wk = 0.0030120 k( 111) = ( -0.1955216 0.1955216 0.1955216), wk = 0.0030120 k( 112) = ( -0.1890042 0.1890042 0.1890042), wk = 0.0030120 k( 113) = ( -0.1824868 0.1824868 0.1824868), wk = 0.0030120 k( 114) = ( -0.1759694 0.1759694 0.1759694), wk = 0.0030120 k( 115) = ( -0.1694520 0.1694520 0.1694520), wk = 0.0030120 k( 116) = ( -0.1629346 0.1629346 0.1629346), wk = 0.0030120 k( 117) = ( -0.1564173 0.1564172 0.1564173), wk = 0.0030120 k( 118) = ( -0.1498999 0.1498999 0.1498999), wk = 0.0030120 k( 119) = ( -0.1433825 0.1433825 0.1433825), wk = 0.0030120 k( 120) = ( -0.1368651 0.1368651 0.1368651), wk = 0.0030120 k( 121) = ( -0.1303477 0.1303477 0.1303477), wk = 0.0030120 k( 122) = ( -0.1238303 0.1238303 0.1238303), wk = 0.0030120 k( 123) = ( -0.1173129 0.1173129 0.1173129), wk = 0.0030120 k( 124) = ( -0.1107956 0.1107955 0.1107956), wk = 0.0030120 k( 125) = ( -0.1042782 0.1042782 0.1042782), wk = 0.0030120 k( 126) = ( -0.0977608 0.0977608 0.0977608), wk = 0.0030120 k( 127) = ( -0.0912434 0.0912434 0.0912434), wk = 0.0030120 k( 128) = ( -0.0847260 0.0847260 0.0847260), wk = 0.0030120 k( 129) = ( -0.0782086 0.0782086 0.0782086), wk = 0.0030120 k( 130) = ( -0.0716912 0.0716912 0.0716912), wk = 0.0030120 k( 131) = ( -0.0651739 0.0651738 0.0651739), wk = 0.0030120 k( 132) = ( -0.0586565 0.0586565 0.0586565), wk = 0.0030120 k( 133) = ( -0.0521391 0.0521391 0.0521391), wk = 0.0030120 k( 134) = ( -0.0456217 0.0456217 0.0456217), wk = 0.0030120 k( 135) = ( -0.0391043 0.0391043 0.0391043), wk = 0.0030120 k( 136) = ( -0.0325869 0.0325869 0.0325869), wk = 0.0030120 k( 137) = ( -0.0260695 0.0260695 0.0260695), wk = 0.0030120 k( 138) = ( -0.0195522 0.0195522 0.0195522), wk = 0.0030120 k( 139) = ( -0.0130348 0.0130348 0.0130348), wk = 0.0030120 k( 140) = ( -0.0065174 0.0065174 0.0065174), wk = 0.0030120 k( 141) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 142) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 143) = ( 0.0208333 0.0208333 -0.0208333), wk = 0.0030120 k( 144) = ( 0.0416667 0.0416667 -0.0416667), wk = 0.0030120 k( 145) = ( 0.0625000 0.0625000 -0.0625000), wk = 0.0030120 k( 146) = ( 0.0833333 0.0833333 -0.0833333), wk = 0.0030120 k( 147) = ( 0.1041667 0.1041667 -0.1041667), wk = 0.0030120 k( 148) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0030120 k( 149) = ( 0.1458333 0.1458333 -0.1458333), wk = 0.0030120 k( 150) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0030120 k( 151) = ( 0.1875000 0.1875000 -0.1875000), wk = 0.0030120 k( 152) = ( 0.2083333 0.2083333 -0.2083333), wk = 0.0030120 k( 153) = ( 0.2291667 0.2291667 -0.2291667), wk = 0.0030120 k( 154) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0030120 k( 155) = ( 0.2708333 0.2708333 -0.2708333), wk = 0.0030120 k( 156) = ( 0.2916667 0.2916667 -0.2916667), wk = 0.0030120 k( 157) = ( 0.3125000 0.3125000 -0.3125000), wk = 0.0030120 k( 158) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0030120 k( 159) = ( 0.3541667 0.3541667 -0.3541667), wk = 0.0030120 k( 160) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0030120 k( 161) = ( 0.3958333 0.3958333 -0.3958333), wk = 0.0030120 k( 162) = ( 0.4166667 0.4166667 -0.4166667), wk = 0.0030120 k( 163) = ( 0.4375000 0.4375000 -0.4375000), wk = 0.0030120 k( 164) = ( 0.4583333 0.4583333 -0.4583333), wk = 0.0030120 k( 165) = ( 0.4791667 0.4791667 -0.4791667), wk = 0.0030120 k( 166) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0030120 k( 167) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0030120 k( 168) = ( 0.4935351 0.5064648 -0.4935351), wk = 0.0030120 k( 169) = ( 0.4870703 0.5129297 -0.4870703), wk = 0.0030120 k( 170) = ( 0.4806054 0.5193946 -0.4806054), wk = 0.0030120 k( 171) = ( 0.4741406 0.5258594 -0.4741406), wk = 0.0030120 k( 172) = ( 0.4676757 0.5323243 -0.4676757), wk = 0.0030120 k( 173) = ( 0.4612109 0.5387891 -0.4612109), wk = 0.0030120 k( 174) = ( 0.4547460 0.5452540 -0.4547460), wk = 0.0030120 k( 175) = ( 0.4482812 0.5517188 -0.4482812), wk = 0.0030120 k( 176) = ( 0.4418163 0.5581837 -0.4418163), wk = 0.0030120 k( 177) = ( 0.4353515 0.5646485 -0.4353515), wk = 0.0030120 k( 178) = ( 0.4288866 0.5711134 -0.4288866), wk = 0.0030120 k( 179) = ( 0.4224218 0.5775782 -0.4224218), wk = 0.0030120 k( 180) = ( 0.4159569 0.5840431 -0.4159569), wk = 0.0030120 k( 181) = ( 0.4094921 0.5905079 -0.4094921), wk = 0.0030120 k( 182) = ( 0.4030272 0.5969728 -0.4030272), wk = 0.0030120 k( 183) = ( 0.3965624 0.6034376 -0.3965624), wk = 0.0030120 k( 184) = ( 0.3900975 0.6099025 -0.3900975), wk = 0.0030120 k( 185) = ( 0.3836327 0.6163673 -0.3836327), wk = 0.0030120 k( 186) = ( 0.3771678 0.6228322 -0.3771678), wk = 0.0030120 k( 187) = ( 0.3707030 0.6292970 -0.3707030), wk = 0.0030120 k( 188) = ( 0.3642381 0.6357619 -0.3642381), wk = 0.0030120 k( 189) = ( 0.3577733 0.6422267 -0.3577733), wk = 0.0030120 k( 190) = ( 0.3513084 0.6486916 -0.3513084), wk = 0.0030120 k( 191) = ( 0.3448435 0.6551564 -0.3448435), wk = 0.0030120 k( 192) = ( 0.3383787 0.6616213 -0.3383787), wk = 0.0030120 k( 193) = ( 0.3319139 0.6680861 -0.3319138), wk = 0.0030120 k( 194) = ( 0.3254490 0.6745510 -0.3254490), wk = 0.0030120 k( 195) = ( 0.3189841 0.6810159 -0.3189841), wk = 0.0030120 k( 196) = ( 0.3125193 0.6874807 -0.3125193), wk = 0.0030120 k( 197) = ( 0.3060544 0.6939456 -0.3060544), wk = 0.0030120 k( 198) = ( 0.2995896 0.7004104 -0.2995896), wk = 0.0030120 k( 199) = ( 0.2931247 0.7068753 -0.2931247), wk = 0.0030120 k( 200) = ( 0.2866599 0.7133401 -0.2866599), wk = 0.0030120 k( 201) = ( 0.2801950 0.7198050 -0.2801950), wk = 0.0030120 k( 202) = ( 0.2737302 0.7262698 -0.2737302), wk = 0.0030120 k( 203) = ( 0.2737302 0.7262698 -0.2737302), wk = 0.0030120 k( 204) = ( 0.2526740 0.7088644 -0.2526740), wk = 0.0030120 k( 205) = ( 0.2316178 0.6914591 -0.2316178), wk = 0.0030120 k( 206) = ( 0.2105617 0.6740537 -0.2105617), wk = 0.0030120 k( 207) = ( 0.1895055 0.6566483 -0.1895055), wk = 0.0030120 k( 208) = ( 0.1684493 0.6392430 -0.1684493), wk = 0.0030120 k( 209) = ( 0.1473932 0.6218376 -0.1473932), wk = 0.0030120 k( 210) = ( 0.1263370 0.6044322 -0.1263370), wk = 0.0030120 k( 211) = ( 0.1052808 0.5870268 -0.1052808), wk = 0.0030120 k( 212) = ( 0.0842247 0.5696215 -0.0842247), wk = 0.0030120 k( 213) = ( 0.0631685 0.5522161 -0.0631685), wk = 0.0030120 k( 214) = ( 0.0421123 0.5348107 -0.0421123), wk = 0.0030120 k( 215) = ( 0.0210562 0.5174054 -0.0210562), wk = 0.0030120 k( 216) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0030120 k( 217) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0030120 k( 218) = ( 0.0065790 0.4934210 0.0065790), wk = 0.0030120 k( 219) = ( 0.0131579 0.4868421 0.0131579), wk = 0.0030120 k( 220) = ( 0.0197368 0.4802632 0.0197368), wk = 0.0030120 k( 221) = ( 0.0263158 0.4736842 0.0263158), wk = 0.0030120 k( 222) = ( 0.0328947 0.4671053 0.0328947), wk = 0.0030120 k( 223) = ( 0.0394737 0.4605263 0.0394737), wk = 0.0030120 k( 224) = ( 0.0460526 0.4539474 0.0460526), wk = 0.0030120 k( 225) = ( 0.0526316 0.4473684 0.0526316), wk = 0.0030120 k( 226) = ( 0.0592105 0.4407895 0.0592105), wk = 0.0030120 k( 227) = ( 0.0657895 0.4342105 0.0657895), wk = 0.0030120 k( 228) = ( 0.0723684 0.4276316 0.0723684), wk = 0.0030120 k( 229) = ( 0.0789474 0.4210526 0.0789474), wk = 0.0030120 k( 230) = ( 0.0855263 0.4144737 0.0855263), wk = 0.0030120 k( 231) = ( 0.0921053 0.4078947 0.0921053), wk = 0.0030120 k( 232) = ( 0.0986842 0.4013158 0.0986842), wk = 0.0030120 k( 233) = ( 0.1052632 0.3947368 0.1052632), wk = 0.0030120 k( 234) = ( 0.1118421 0.3881579 0.1118421), wk = 0.0030120 k( 235) = ( 0.1184210 0.3815789 0.1184211), wk = 0.0030120 k( 236) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0030120 k( 237) = ( 0.1315790 0.3684211 0.1315790), wk = 0.0030120 k( 238) = ( 0.1381579 0.3618421 0.1381579), wk = 0.0030120 k( 239) = ( 0.1447368 0.3552632 0.1447368), wk = 0.0030120 k( 240) = ( 0.1513158 0.3486842 0.1513158), wk = 0.0030120 k( 241) = ( 0.1578947 0.3421053 0.1578947), wk = 0.0030120 k( 242) = ( 0.1644737 0.3355263 0.1644737), wk = 0.0030120 k( 243) = ( 0.1710526 0.3289474 0.1710526), wk = 0.0030120 k( 244) = ( 0.1776316 0.3223684 0.1776316), wk = 0.0030120 k( 245) = ( 0.1842105 0.3157895 0.1842105), wk = 0.0030120 k( 246) = ( 0.1907895 0.3092105 0.1907895), wk = 0.0030120 k( 247) = ( 0.1973684 0.3026316 0.1973684), wk = 0.0030120 k( 248) = ( 0.2039474 0.2960526 0.2039474), wk = 0.0030120 k( 249) = ( 0.2105263 0.2894737 0.2105263), wk = 0.0030120 k( 250) = ( 0.2171053 0.2828947 0.2171053), wk = 0.0030120 k( 251) = ( 0.2236842 0.2763158 0.2236842), wk = 0.0030120 k( 252) = ( 0.2302632 0.2697368 0.2302632), wk = 0.0030120 k( 253) = ( 0.2368421 0.2631579 0.2368421), wk = 0.0030120 k( 254) = ( 0.2434210 0.2565789 0.2434210), wk = 0.0030120 k( 255) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030120 k( 256) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030120 k( 257) = ( 0.2692308 0.2692308 0.2271184), wk = 0.0030120 k( 258) = ( 0.2884615 0.2884615 0.2042369), wk = 0.0030120 k( 259) = ( 0.3076923 0.3076923 0.1813553), wk = 0.0030120 k( 260) = ( 0.3269231 0.3269231 0.1584737), wk = 0.0030120 k( 261) = ( 0.3461538 0.3461538 0.1355922), wk = 0.0030120 k( 262) = ( 0.3653846 0.3653846 0.1127106), wk = 0.0030120 k( 263) = ( 0.3846154 0.3846154 0.0898290), wk = 0.0030120 k( 264) = ( 0.4038462 0.4038462 0.0669475), wk = 0.0030120 k( 265) = ( 0.4230769 0.4230769 0.0440659), wk = 0.0030120 k( 266) = ( 0.4423077 0.4423077 0.0211843), wk = 0.0030120 k( 267) = ( 0.4615385 0.4615385 -0.0016972), wk = 0.0030120 k( 268) = ( 0.4807692 0.4807692 -0.0245788), wk = 0.0030120 k( 269) = ( 0.5000000 0.5000000 -0.0474604), wk = 0.0030120 k( 270) = ( 0.5000000 0.5000000 -0.0474604), wk = 0.0030120 k( 271) = ( 0.5000000 0.5000000 -0.0566959), wk = 0.0030120 k( 272) = ( 0.5000000 0.5000000 -0.0659314), wk = 0.0030120 k( 273) = ( 0.5000000 0.5000000 -0.0751669), wk = 0.0030120 k( 274) = ( 0.5000000 0.5000000 -0.0844024), wk = 0.0030120 k( 275) = ( 0.5000000 0.5000000 -0.0936379), wk = 0.0030120 k( 276) = ( 0.5000000 0.5000000 -0.1028734), wk = 0.0030120 k( 277) = ( 0.5000000 0.5000000 -0.1121089), wk = 0.0030120 k( 278) = ( 0.5000000 0.5000000 -0.1213444), wk = 0.0030120 k( 279) = ( 0.5000000 0.5000000 -0.1305799), wk = 0.0030120 k( 280) = ( 0.5000000 0.5000000 -0.1398154), wk = 0.0030120 k( 281) = ( 0.5000000 0.5000000 -0.1490509), wk = 0.0030120 k( 282) = ( 0.5000000 0.5000000 -0.1582864), wk = 0.0030120 k( 283) = ( 0.5000000 0.5000000 -0.1675219), wk = 0.0030120 k( 284) = ( 0.5000000 0.5000000 -0.1767574), wk = 0.0030120 k( 285) = ( 0.5000000 0.5000000 -0.1859929), wk = 0.0030120 k( 286) = ( 0.5000000 0.5000000 -0.1952284), wk = 0.0030120 k( 287) = ( 0.5000000 0.5000000 -0.2044639), wk = 0.0030120 k( 288) = ( 0.5000000 0.5000000 -0.2136994), wk = 0.0030120 k( 289) = ( 0.5000000 0.5000000 -0.2229349), wk = 0.0030120 k( 290) = ( 0.5000000 0.5000000 -0.2321704), wk = 0.0030120 k( 291) = ( 0.5000000 0.5000000 -0.2414059), wk = 0.0030120 k( 292) = ( 0.5000000 0.5000000 -0.2506414), wk = 0.0030120 k( 293) = ( 0.5000000 0.5000000 -0.2598769), wk = 0.0030120 k( 294) = ( 0.5000000 0.5000000 -0.2691124), wk = 0.0030120 k( 295) = ( 0.5000000 0.5000000 -0.2783479), wk = 0.0030120 k( 296) = ( 0.5000000 0.5000000 -0.2875834), wk = 0.0030120 k( 297) = ( 0.5000000 0.5000000 -0.2968189), wk = 0.0030120 k( 298) = ( 0.5000000 0.5000000 -0.3060544), wk = 0.0030120 k( 299) = ( 0.5000000 0.5000000 -0.3152899), wk = 0.0030120 k( 300) = ( 0.5000000 0.5000000 -0.3245254), wk = 0.0030120 k( 301) = ( 0.5000000 0.5000000 -0.3337610), wk = 0.0030120 k( 302) = ( 0.5000000 0.5000000 -0.3429965), wk = 0.0030120 k( 303) = ( 0.5000000 0.5000000 -0.3522320), wk = 0.0030120 k( 304) = ( 0.5000000 0.5000000 -0.3614675), wk = 0.0030120 k( 305) = ( 0.5000000 0.5000000 -0.3707030), wk = 0.0030120 k( 306) = ( 0.5000000 0.5000000 -0.3799385), wk = 0.0030120 k( 307) = ( 0.5000000 0.5000000 -0.3891740), wk = 0.0030120 k( 308) = ( 0.5000000 0.5000000 -0.3984095), wk = 0.0030120 k( 309) = ( 0.5000000 0.5000000 -0.4076450), wk = 0.0030120 k( 310) = ( 0.5000000 0.5000000 -0.4168805), wk = 0.0030120 k( 311) = ( 0.5000000 0.5000000 -0.4261160), wk = 0.0030120 k( 312) = ( 0.5000000 0.5000000 -0.4353515), wk = 0.0030120 k( 313) = ( 0.5000000 0.5000000 -0.4445870), wk = 0.0030120 k( 314) = ( 0.5000000 0.5000000 -0.4538225), wk = 0.0030120 k( 315) = ( 0.5000000 0.5000000 -0.4630580), wk = 0.0030120 k( 316) = ( 0.5000000 0.5000000 -0.4722935), wk = 0.0030120 k( 317) = ( 0.5000000 0.5000000 -0.4815290), wk = 0.0030120 k( 318) = ( 0.5000000 0.5000000 -0.4907645), wk = 0.0030120 k( 319) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0030120 k( 320) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030120 k( 321) = ( 0.0208333 0.0208333 0.4791667), wk = 0.0030120 k( 322) = ( 0.0416667 0.0416667 0.4583333), wk = 0.0030120 k( 323) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0030120 k( 324) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0030120 k( 325) = ( 0.1041667 0.1041667 0.3958333), wk = 0.0030120 k( 326) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0030120 k( 327) = ( 0.1458333 0.1458333 0.3541667), wk = 0.0030120 k( 328) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0030120 k( 329) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0030120 k( 330) = ( 0.2083333 0.2083333 0.2916667), wk = 0.0030120 k( 331) = ( 0.2291667 0.2291667 0.2708333), wk = 0.0030120 k( 332) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030120 Dense grid: 75801 G-vectors FFT dimensions: ( 80, 80, 80) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.50 Mb ( 548, 60) NL pseudopotentials 0.55 Mb ( 274, 131) Each V/rho on FFT grid 0.29 Mb ( 19200) Each G-vector array 0.02 Mb ( 2106) G-vector shells 0.01 Mb ( 957) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.01 Mb ( 548, 240) Each subspace H/S matrix 0.05 Mb ( 60, 60) Each matrix 0.24 Mb ( 131, 2, 60) The potential is recalculated from file : ./BaxMnAsx2.save/charge-density.dat Starting wfc are 66 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.7 secs Computing kpt #: 2 total cpu time spent up to now is 5.3 secs Computing kpt #: 3 total cpu time spent up to now is 6.9 secs Computing kpt #: 4 total cpu time spent up to now is 8.5 secs Computing kpt #: 5 total cpu time spent up to now is 10.1 secs Computing kpt #: 6 total cpu time spent up to now is 11.7 secs Computing kpt #: 7 total cpu time spent up to now is 13.2 secs Computing kpt #: 8 total cpu time spent up to now is 14.8 secs Computing kpt #: 9 total cpu time spent up to now is 16.3 secs Computing kpt #: 10 total cpu time spent up to now is 17.8 secs Computing kpt #: 11 total cpu time spent up to now is 19.3 secs Computing kpt #: 12 total cpu time spent up to now is 20.8 secs Computing kpt #: 13 total cpu time spent up to now is 22.3 secs Computing kpt #: 14 total cpu time spent up to now is 23.8 secs Computing kpt #: 15 total cpu time spent up to now is 25.2 secs Computing kpt #: 16 total cpu time spent up to now is 26.7 secs Computing kpt #: 17 total cpu time spent up to now is 28.2 secs Computing kpt #: 18 total cpu time spent up to now is 29.7 secs Computing kpt #: 19 total cpu time spent up to now is 31.2 secs Computing kpt #: 20 total cpu time spent up to now is 32.6 secs Computing kpt #: 21 total cpu time spent up to now is 34.1 secs Computing kpt #: 22 total cpu time spent up to now is 35.5 secs Computing kpt #: 23 total cpu time spent up to now is 37.0 secs Computing kpt #: 24 total cpu time spent up to now is 38.5 secs Computing kpt #: 25 total cpu time spent up to now is 39.9 secs Computing kpt #: 26 total cpu time spent up to now is 41.4 secs Computing kpt #: 27 total cpu time spent up to now is 42.8 secs Computing kpt #: 28 total cpu time spent up to now is 44.2 secs Computing kpt #: 29 total cpu time spent up to now is 45.7 secs Computing kpt #: 30 total cpu time spent up to now is 47.1 secs Computing kpt #: 31 total cpu time spent up to now is 48.6 secs Computing kpt #: 32 total cpu time spent up to now is 50.0 secs Computing kpt #: 33 total cpu time spent up to now is 51.4 secs Computing kpt #: 34 total cpu time spent up to now is 52.9 secs Computing kpt #: 35 total cpu time spent up to now is 54.3 secs Computing kpt #: 36 total cpu time spent up to now is 55.7 secs Computing kpt #: 37 total cpu time spent up to now is 57.1 secs Computing kpt #: 38 total cpu time spent up to now is 58.5 secs Computing kpt #: 39 total cpu time spent up to now is 59.9 secs Computing kpt #: 40 total cpu time spent up to now is 61.3 secs Computing kpt #: 41 total cpu time spent up to now is 62.7 secs Computing kpt #: 42 total cpu time spent up to now is 64.2 secs Computing kpt #: 43 total cpu time spent up to now is 65.6 secs Computing kpt #: 44 total cpu time spent up to now is 67.0 secs Computing kpt #: 45 total cpu time spent up to now is 68.3 secs Computing kpt #: 46 total cpu time spent up to now is 69.7 secs Computing kpt #: 47 total cpu time spent up to now is 71.1 secs Computing kpt #: 48 total cpu time spent up to now is 72.5 secs Computing kpt #: 49 total cpu time spent up to now is 73.8 secs Computing kpt #: 50 total cpu time spent up to now is 75.2 secs Computing kpt #: 51 total cpu time spent up to now is 76.5 secs Computing kpt #: 52 total cpu time spent up to now is 77.8 secs Computing kpt #: 53 total cpu time spent up to now is 79.1 secs Computing kpt #: 54 total cpu time spent up to now is 80.5 secs Computing kpt #: 55 total cpu time spent up to now is 81.8 secs Computing kpt #: 56 total cpu time spent up to now is 83.1 secs Computing kpt #: 57 total cpu time spent up to now is 84.4 secs Computing kpt #: 58 total cpu time spent up to now is 85.7 secs Computing kpt #: 59 total cpu time spent up to now is 87.0 secs Computing kpt #: 60 total cpu time spent up to now is 88.4 secs Computing kpt #: 61 total cpu time spent up to now is 89.7 secs Computing kpt #: 62 total cpu time spent up to now is 91.1 secs Computing kpt #: 63 total cpu time spent up to now is 92.4 secs Computing kpt #: 64 total cpu time spent up to now is 93.8 secs Computing kpt #: 65 total cpu time spent up to now is 95.2 secs Computing kpt #: 66 total cpu time spent up to now is 96.5 secs Computing kpt #: 67 total cpu time spent up to now is 97.9 secs Computing kpt #: 68 total cpu time spent up to now is 99.3 secs Computing kpt #: 69 total cpu time spent up to now is 100.7 secs Computing kpt #: 70 total cpu time spent up to now is 102.1 secs Computing kpt #: 71 total cpu time spent up to now is 103.5 secs Computing kpt #: 72 total cpu time spent up to now is 104.9 secs Computing kpt #: 73 total cpu time spent up to now is 106.3 secs Computing kpt #: 74 total cpu time spent up to now is 107.7 secs Computing kpt #: 75 total cpu time spent up to now is 109.1 secs Computing kpt #: 76 total cpu time spent up to now is 110.6 secs Computing kpt #: 77 total cpu time spent up to now is 112.0 secs Computing kpt #: 78 total cpu time spent up to now is 113.5 secs Computing kpt #: 79 total cpu time spent up to now is 114.9 secs Computing kpt #: 80 total cpu time spent up to now is 116.4 secs Computing kpt #: 81 total cpu time spent up to now is 117.9 secs Computing kpt #: 82 total cpu time spent up to now is 119.4 secs Computing kpt #: 83 total cpu time spent up to now is 120.8 secs Computing kpt #: 84 total cpu time spent up to now is 122.4 secs Computing kpt #: 85 total cpu time spent up to now is 123.9 secs Computing kpt #: 86 total cpu time spent up to now is 125.4 secs Computing kpt #: 87 total cpu time spent up to now is 126.9 secs Computing kpt #: 88 total cpu time spent up to now is 128.4 secs Computing kpt #: 89 total cpu time spent up to now is 130.0 secs Computing kpt #: 90 total cpu time spent up to now is 131.5 secs Computing kpt #: 91 total cpu time spent up to now is 133.1 secs Computing kpt #: 92 total cpu time spent up to now is 134.7 secs Computing kpt #: 93 total cpu time spent up to now is 136.3 secs Computing kpt #: 94 total cpu time spent up to now is 137.9 secs Computing kpt #: 95 total cpu time spent up to now is 139.5 secs Computing kpt #: 96 total cpu time spent up to now is 141.1 secs Computing kpt #: 97 total cpu time spent up to now is 142.7 secs Computing kpt #: 98 total cpu time spent up to now is 144.3 secs Computing kpt #: 99 total cpu time spent up to now is 145.9 secs Computing kpt #: 100 total cpu time spent up to now is 147.5 secs Computing kpt #: 101 total cpu time spent up to now is 149.0 secs Computing kpt #: 102 total cpu time spent up to now is 150.6 secs Computing kpt #: 103 total cpu time spent up to now is 152.1 secs Computing kpt #: 104 total cpu time spent up to now is 153.5 secs Computing kpt #: 105 total cpu time spent up to now is 155.0 secs Computing kpt #: 106 total cpu time spent up to now is 156.5 secs Computing kpt #: 107 total cpu time spent up to now is 157.9 secs Computing kpt #: 108 total cpu time spent up to now is 159.4 secs Computing kpt #: 109 total cpu time spent up to now is 160.8 secs Computing kpt #: 110 total cpu time spent up to now is 162.2 secs Computing kpt #: 111 total cpu time spent up to now is 163.7 secs Computing kpt #: 112 total cpu time spent up to now is 165.1 secs Computing kpt #: 113 total cpu time spent up to now is 166.5 secs Computing kpt #: 114 total cpu time spent up to now is 168.0 secs Computing kpt #: 115 total cpu time spent up to now is 169.4 secs Computing kpt #: 116 total cpu time spent up to now is 170.8 secs Computing kpt #: 117 total cpu time spent up to now is 172.2 secs Computing kpt #: 118 total cpu time spent up to now is 173.7 secs Computing kpt #: 119 total cpu time spent up to now is 175.1 secs Computing kpt #: 120 total cpu time spent up to now is 176.5 secs Computing kpt #: 121 total cpu time spent up to now is 178.0 secs Computing kpt #: 122 total cpu time spent up to now is 179.4 secs Computing kpt #: 123 total cpu time spent up to now is 180.9 secs Computing kpt #: 124 total cpu time spent up to now is 182.4 secs Computing kpt #: 125 total cpu time spent up to now is 183.9 secs Computing kpt #: 126 total cpu time spent up to now is 185.4 secs Computing kpt #: 127 total cpu time spent up to now is 187.0 secs Computing kpt #: 128 total cpu time spent up to now is 188.5 secs Computing kpt #: 129 total cpu time spent up to now is 190.1 secs Computing kpt #: 130 total cpu time spent up to now is 191.7 secs Computing kpt #: 131 total cpu time spent up to now is 193.3 secs Computing kpt #: 132 total cpu time spent up to now is 194.9 secs Computing kpt #: 133 total cpu time spent up to now is 196.5 secs Computing kpt #: 134 total cpu time spent up to now is 198.1 secs Computing kpt #: 135 total cpu time spent up to now is 199.7 secs Computing kpt #: 136 total cpu time spent up to now is 201.3 secs Computing kpt #: 137 total cpu time spent up to now is 202.9 secs Computing kpt #: 138 total cpu time spent up to now is 204.5 secs Computing kpt #: 139 total cpu time spent up to now is 206.1 secs Computing kpt #: 140 total cpu time spent up to now is 207.7 secs Computing kpt #: 141 total cpu time spent up to now is 209.4 secs Computing kpt #: 142 total cpu time spent up to now is 210.9 secs Computing kpt #: 143 total cpu time spent up to now is 214.4 secs Computing kpt #: 144 total cpu time spent up to now is 216.0 secs Computing kpt #: 145 total cpu time spent up to now is 217.6 secs Computing kpt #: 146 total cpu time spent up to now is 219.2 secs Computing kpt #: 147 total cpu time spent up to now is 220.7 secs Computing kpt #: 148 total cpu time spent up to now is 222.3 secs Computing kpt #: 149 total cpu time spent up to now is 223.9 secs Computing kpt #: 150 total cpu time spent up to now is 225.5 secs Computing kpt #: 151 total cpu time spent up to now is 227.1 secs Computing kpt #: 152 total cpu time spent up to now is 228.6 secs Computing kpt #: 153 total cpu time spent up to now is 230.1 secs Computing kpt #: 154 total cpu time spent up to now is 231.5 secs Computing kpt #: 155 total cpu time spent up to now is 233.0 secs Computing kpt #: 156 total cpu time spent up to now is 234.4 secs Computing kpt #: 157 total cpu time spent up to now is 235.9 secs Computing kpt #: 158 total cpu time spent up to now is 237.4 secs Computing kpt #: 159 total cpu time spent up to now is 239.3 secs Computing kpt #: 160 total cpu time spent up to now is 240.7 secs Computing kpt #: 161 total cpu time spent up to now is 242.2 secs Computing kpt #: 162 total cpu time spent up to now is 243.6 secs Computing kpt #: 163 total cpu time spent up to now is 245.0 secs Computing kpt #: 164 total cpu time spent up to now is 246.4 secs Computing kpt #: 165 total cpu time spent up to now is 248.4 secs Computing kpt #: 166 total cpu time spent up to now is 249.8 secs Computing kpt #: 167 total cpu time spent up to now is 251.2 secs Computing kpt #: 168 total cpu time spent up to now is 252.6 secs Computing kpt #: 169 total cpu time spent up to now is 254.0 secs Computing kpt #: 170 total cpu time spent up to now is 255.5 secs Computing kpt #: 171 total cpu time spent up to now is 256.9 secs Computing kpt #: 172 total cpu time spent up to now is 258.4 secs Computing kpt #: 173 total cpu time spent up to now is 259.8 secs Computing kpt #: 174 total cpu time spent up to now is 261.3 secs Computing kpt #: 175 total cpu time spent up to now is 262.7 secs Computing kpt #: 176 total cpu time spent up to now is 264.1 secs Computing kpt #: 177 total cpu time spent up to now is 265.6 secs Computing kpt #: 178 total cpu time spent up to now is 267.1 secs Computing kpt #: 179 total cpu time spent up to now is 268.5 secs Computing kpt #: 180 total cpu time spent up to now is 270.0 secs Computing kpt #: 181 total cpu time spent up to now is 271.5 secs Computing kpt #: 182 total cpu time spent up to now is 272.9 secs Computing kpt #: 183 total cpu time spent up to now is 274.4 secs Computing kpt #: 184 total cpu time spent up to now is 275.9 secs Computing kpt #: 185 total cpu time spent up to now is 277.4 secs Computing kpt #: 186 total cpu time spent up to now is 278.9 secs Computing kpt #: 187 total cpu time spent up to now is 280.4 secs Computing kpt #: 188 total cpu time spent up to now is 282.0 secs Computing kpt #: 189 total cpu time spent up to now is 283.5 secs Computing kpt #: 190 total cpu time spent up to now is 285.1 secs Computing kpt #: 191 total cpu time spent up to now is 286.6 secs Computing kpt #: 192 total cpu time spent up to now is 288.1 secs Computing kpt #: 193 total cpu time spent up to now is 289.6 secs Computing kpt #: 194 total cpu time spent up to now is 291.1 secs Computing kpt #: 195 total cpu time spent up to now is 292.6 secs Computing kpt #: 196 total cpu time spent up to now is 294.1 secs Computing kpt #: 197 total cpu time spent up to now is 295.6 secs Computing kpt #: 198 total cpu time spent up to now is 297.2 secs Computing kpt #: 199 total cpu time spent up to now is 298.8 secs Computing kpt #: 200 total cpu time spent up to now is 300.4 secs Computing kpt #: 201 total cpu time spent up to now is 302.0 secs Computing kpt #: 202 total cpu time spent up to now is 303.6 secs Computing kpt #: 203 total cpu time spent up to now is 305.2 secs Computing kpt #: 204 total cpu time spent up to now is 306.8 secs Computing kpt #: 205 total cpu time spent up to now is 308.4 secs Computing kpt #: 206 total cpu time spent up to now is 309.9 secs Computing kpt #: 207 total cpu time spent up to now is 311.5 secs Computing kpt #: 208 total cpu time spent up to now is 313.0 secs Computing kpt #: 209 total cpu time spent up to now is 314.5 secs Computing kpt #: 210 total cpu time spent up to now is 316.1 secs Computing kpt #: 211 total cpu time spent up to now is 318.4 secs Computing kpt #: 212 total cpu time spent up to now is 319.9 secs Computing kpt #: 213 total cpu time spent up to now is 321.3 secs Computing kpt #: 214 total cpu time spent up to now is 322.8 secs Computing kpt #: 215 total cpu time spent up to now is 324.3 secs Computing kpt #: 216 total cpu time spent up to now is 325.7 secs Computing kpt #: 217 total cpu time spent up to now is 327.1 secs Computing kpt #: 218 total cpu time spent up to now is 328.5 secs Computing kpt #: 219 total cpu time spent up to now is 330.0 secs Computing kpt #: 220 total cpu time spent up to now is 331.5 secs Computing kpt #: 221 total cpu time spent up to now is 332.9 secs Computing kpt #: 222 total cpu time spent up to now is 334.4 secs Computing kpt #: 223 total cpu time spent up to now is 335.9 secs Computing kpt #: 224 total cpu time spent up to now is 337.4 secs Computing kpt #: 225 total cpu time spent up to now is 338.9 secs Computing kpt #: 226 total cpu time spent up to now is 340.4 secs Computing kpt #: 227 total cpu time spent up to now is 341.9 secs Computing kpt #: 228 total cpu time spent up to now is 343.4 secs Computing kpt #: 229 total cpu time spent up to now is 344.9 secs Computing kpt #: 230 total cpu time spent up to now is 346.4 secs Computing kpt #: 231 total cpu time spent up to now is 347.9 secs Computing kpt #: 232 total cpu time spent up to now is 349.4 secs Computing kpt #: 233 total cpu time spent up to now is 350.8 secs Computing kpt #: 234 total cpu time spent up to now is 352.3 secs Computing kpt #: 235 total cpu time spent up to now is 353.8 secs Computing kpt #: 236 total cpu time spent up to now is 355.2 secs Computing kpt #: 237 total cpu time spent up to now is 356.7 secs Computing kpt #: 238 total cpu time spent up to now is 358.1 secs Computing kpt #: 239 total cpu time spent up to now is 359.5 secs Computing kpt #: 240 total cpu time spent up to now is 360.9 secs Computing kpt #: 241 total cpu time spent up to now is 362.4 secs Computing kpt #: 242 total cpu time spent up to now is 363.8 secs Computing kpt #: 243 total cpu time spent up to now is 365.2 secs Computing kpt #: 244 total cpu time spent up to now is 366.6 secs Computing kpt #: 245 total cpu time spent up to now is 368.0 secs Computing kpt #: 246 total cpu time spent up to now is 369.4 secs Computing kpt #: 247 total cpu time spent up to now is 370.8 secs Computing kpt #: 248 total cpu time spent up to now is 372.2 secs Computing kpt #: 249 total cpu time spent up to now is 373.6 secs Computing kpt #: 250 total cpu time spent up to now is 374.9 secs Computing kpt #: 251 total cpu time spent up to now is 376.3 secs Computing kpt #: 252 total cpu time spent up to now is 377.6 secs Computing kpt #: 253 total cpu time spent up to now is 379.0 secs Computing kpt #: 254 total cpu time spent up to now is 380.3 secs Computing kpt #: 255 total cpu time spent up to now is 381.6 secs Computing kpt #: 256 total cpu time spent up to now is 382.9 secs Computing kpt #: 257 total cpu time spent up to now is 384.2 secs Computing kpt #: 258 total cpu time spent up to now is 385.5 secs Computing kpt #: 259 total cpu time spent up to now is 386.9 secs Computing kpt #: 260 total cpu time spent up to now is 388.2 secs Computing kpt #: 261 total cpu time spent up to now is 389.5 secs Computing kpt #: 262 total cpu time spent up to now is 390.9 secs Computing kpt #: 263 total cpu time spent up to now is 392.2 secs Computing kpt #: 264 total cpu time spent up to now is 393.5 secs Computing kpt #: 265 total cpu time spent up to now is 394.9 secs Computing kpt #: 266 total cpu time spent up to now is 396.2 secs Computing kpt #: 267 total cpu time spent up to now is 397.6 secs Computing kpt #: 268 total cpu time spent up to now is 399.0 secs Computing kpt #: 269 total cpu time spent up to now is 400.3 secs Computing kpt #: 270 total cpu time spent up to now is 401.7 secs Computing kpt #: 271 total cpu time spent up to now is 403.0 secs Computing kpt #: 272 total cpu time spent up to now is 404.4 secs Computing kpt #: 273 total cpu time spent up to now is 405.7 secs Computing kpt #: 274 total cpu time spent up to now is 407.1 secs Computing kpt #: 275 total cpu time spent up to now is 408.4 secs Computing kpt #: 276 total cpu time spent up to now is 409.8 secs Computing kpt #: 277 total cpu time spent up to now is 411.2 secs Computing kpt #: 278 total cpu time spent up to now is 412.6 secs Computing kpt #: 279 total cpu time spent up to now is 413.9 secs Computing kpt #: 280 total cpu time spent up to now is 415.3 secs Computing kpt #: 281 total cpu time spent up to now is 416.7 secs Computing kpt #: 282 total cpu time spent up to now is 418.1 secs Computing kpt #: 283 total cpu time spent up to now is 419.4 secs Computing kpt #: 284 total cpu time spent up to now is 420.8 secs Computing kpt #: 285 total cpu time spent up to now is 422.2 secs Computing kpt #: 286 total cpu time spent up to now is 423.6 secs Computing kpt #: 287 total cpu time spent up to now is 425.0 secs Computing kpt #: 288 total cpu time spent up to now is 426.4 secs Computing kpt #: 289 total cpu time spent up to now is 427.8 secs Computing kpt #: 290 total cpu time spent up to now is 429.2 secs Computing kpt #: 291 total cpu time spent up to now is 430.6 secs Computing kpt #: 292 total cpu time spent up to now is 432.0 secs Computing kpt #: 293 total cpu time spent up to now is 433.4 secs Computing kpt #: 294 total cpu time spent up to now is 434.8 secs Computing kpt #: 295 total cpu time spent up to now is 436.3 secs Computing kpt #: 296 total cpu time spent up to now is 437.8 secs Computing kpt #: 297 total cpu time spent up to now is 439.2 secs Computing kpt #: 298 total cpu time spent up to now is 440.7 secs Computing kpt #: 299 total cpu time spent up to now is 442.3 secs Computing kpt #: 300 total cpu time spent up to now is 443.8 secs Computing kpt #: 301 total cpu time spent up to now is 445.4 secs Computing kpt #: 302 total cpu time spent up to now is 446.9 secs Computing kpt #: 303 total cpu time spent up to now is 448.3 secs Computing kpt #: 304 total cpu time spent up to now is 449.8 secs Computing kpt #: 305 total cpu time spent up to now is 451.2 secs Computing kpt #: 306 total cpu time spent up to now is 452.7 secs Computing kpt #: 307 total cpu time spent up to now is 454.1 secs Computing kpt #: 308 total cpu time spent up to now is 455.5 secs Computing kpt #: 309 total cpu time spent up to now is 457.0 secs Computing kpt #: 310 total cpu time spent up to now is 458.4 secs Computing kpt #: 311 total cpu time spent up to now is 459.8 secs Computing kpt #: 312 total cpu time spent up to now is 461.2 secs Computing kpt #: 313 total cpu time spent up to now is 462.6 secs Computing kpt #: 314 total cpu time spent up to now is 464.1 secs Computing kpt #: 315 total cpu time spent up to now is 465.5 secs Computing kpt #: 316 total cpu time spent up to now is 466.9 secs Computing kpt #: 317 total cpu time spent up to now is 468.4 secs Computing kpt #: 318 total cpu time spent up to now is 469.8 secs Computing kpt #: 319 total cpu time spent up to now is 471.2 secs Computing kpt #: 320 total cpu time spent up to now is 472.5 secs Computing kpt #: 321 total cpu time spent up to now is 473.8 secs Computing kpt #: 322 total cpu time spent up to now is 475.1 secs Computing kpt #: 323 total cpu time spent up to now is 476.4 secs Computing kpt #: 324 total cpu time spent up to now is 477.8 secs Computing kpt #: 325 total cpu time spent up to now is 479.1 secs Computing kpt #: 326 total cpu time spent up to now is 480.4 secs Computing kpt #: 327 total cpu time spent up to now is 481.7 secs Computing kpt #: 328 total cpu time spent up to now is 483.1 secs Computing kpt #: 329 total cpu time spent up to now is 484.4 secs Computing kpt #: 330 total cpu time spent up to now is 485.7 secs Computing kpt #: 331 total cpu time spent up to now is 487.1 secs Computing kpt #: 332 total cpu time spent up to now is 488.4 secs ethr = 2.00E-08, avg # of iterations = 14.3 total cpu time spent up to now is 488.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 9453 PWs) bands (ev): -68.8814 -68.8814 -68.8673 -68.8673 -38.6659 -38.6659 -38.6249 -38.6249 -37.5067 -37.5067 -37.4357 -37.4357 -37.4100 -37.4100 -37.3999 -37.3999 -18.6129 -18.6129 -5.1821 -5.1821 -3.3038 -3.3038 -3.0687 -3.0687 -1.8329 -1.8329 -0.5259 -0.5259 4.8766 4.8766 6.7635 6.7635 6.9216 6.9216 6.9839 6.9839 7.4775 7.4775 7.5988 7.5988 7.9474 7.9474 8.9164 8.9164 9.2616 9.2616 9.8690 9.8690 9.8957 9.8957 9.9452 9.9452 10.1068 10.1068 10.5672 10.5672 11.4045 11.4045 11.6052 11.6052 k = 0.0000 0.0000 0.0232 ( 9441 PWs) bands (ev): -68.8806 -68.8806 -68.8669 -68.8669 -38.6658 -38.6658 -38.6249 -38.6249 -37.5066 -37.5066 -37.4357 -37.4357 -37.4100 -37.4100 -37.3999 -37.3999 -18.6129 -18.6129 -5.1823 -5.1823 -3.3039 -3.3039 -3.0697 -3.0697 -1.8312 -1.8312 -0.5263 -0.5263 4.8783 4.8783 6.7640 6.7640 6.9213 6.9213 6.9833 6.9833 7.4762 7.4762 7.5976 7.5976 7.9523 7.9523 8.9178 8.9178 9.2620 9.2620 9.8698 9.8698 9.8965 9.8965 9.9460 9.9460 10.1078 10.1078 10.5695 10.5695 11.4048 11.4048 11.5644 11.5644 k = 0.0000 0.0000 0.0464 ( 9435 PWs) bands (ev): -68.8788 -68.8788 -68.8682 -68.8682 -38.6658 -38.6658 -38.6249 -38.6249 -37.5066 -37.5066 -37.4357 -37.4357 -37.4100 -37.4100 -37.3998 -37.3998 -18.6127 -18.6127 -5.1828 -5.1828 -3.3040 -3.3040 -3.0725 -3.0725 -1.8262 -1.8262 -0.5275 -0.5275 4.8836 4.8836 6.7618 6.7618 6.9173 6.9173 6.9800 6.9800 7.4721 7.4721 7.5944 7.5944 7.9574 7.9574 8.9215 8.9215 9.2577 9.2577 9.8734 9.8734 9.8994 9.8994 9.9481 9.9481 10.1107 10.1107 10.5595 10.5595 11.4013 11.4013 11.5072 11.5072 k = 0.0000 0.0000 0.0695 ( 9431 PWs) bands (ev): -68.8787 -68.8787 -68.8678 -68.8678 -38.6657 -38.6657 -38.6250 -38.6250 -37.5064 -37.5064 -37.4359 -37.4359 -37.4099 -37.4099 -37.3998 -37.3998 -18.6124 -18.6124 -5.1838 -5.1838 -3.3042 -3.3042 -3.0772 -3.0772 -1.8179 -1.8179 -0.5295 -0.5295 4.8920 4.8920 6.7616 6.7616 6.9117 6.9117 6.9764 6.9764 7.4622 7.4622 7.5887 7.5887 7.9613 7.9613 8.9241 8.9241 9.2583 9.2583 9.8643 9.8643 9.8937 9.8937 9.9436 9.9436 10.1125 10.1125 10.5607 10.5607 11.3848 11.3848 11.4659 11.4659 k = 0.0000 0.0000 0.0927 ( 9447 PWs) bands (ev): -68.8795 -68.8795 -68.8687 -68.8687 -38.6656 -38.6656 -38.6252 -38.6252 -37.5063 -37.5063 -37.4362 -37.4362 -37.4099 -37.4099 -37.3999 -37.3999 -18.6119 -18.6119 -5.1851 -5.1851 -3.3044 -3.3044 -3.0837 -3.0837 -1.8066 -1.8066 -0.5321 -0.5321 4.9035 4.9035 6.7599 6.7599 6.8991 6.8991 6.9707 6.9707 7.4461 7.4461 7.5830 7.5830 7.9649 7.9649 8.9257 8.9257 9.2592 9.2592 9.8486 9.8486 9.8851 9.8851 9.9337 9.9337 10.1131 10.1131 10.5587 10.5587 11.3354 11.3354 11.4548 11.4548 k = 0.0000 0.0000 0.1159 ( 9451 PWs) bands (ev): -68.8795 -68.8795 -68.8692 -68.8692 -38.6655 -38.6655 -38.6253 -38.6253 -37.5060 -37.5060 -37.4364 -37.4364 -37.4099 -37.4099 -37.3999 -37.3999 -18.6114 -18.6114 -5.1868 -5.1868 -3.3048 -3.3048 -3.0917 -3.0917 -1.7923 -1.7923 -0.5354 -0.5354 4.9182 4.9182 6.7575 6.7575 6.8840 6.8840 6.9674 6.9674 7.4228 7.4228 7.5792 7.5792 7.9717 7.9717 8.9302 8.9302 9.2606 9.2606 9.8288 9.8288 9.8778 9.8778 9.9263 9.9263 10.1166 10.1166 10.5555 10.5555 11.2739 11.2739 11.4603 11.4603 k = 0.0000 0.0000 0.1391 ( 9459 PWs) bands (ev): -68.8798 -68.8798 -68.8698 -68.8698 -38.6653 -38.6653 -38.6255 -38.6255 -37.5057 -37.5057 -37.4368 -37.4368 -37.4098 -37.4098 -37.4000 -37.4000 -18.6107 -18.6107 -5.1888 -5.1888 -3.3052 -3.3052 -3.1011 -3.1011 -1.7752 -1.7752 -0.5395 -0.5395 4.9358 4.9358 6.7510 6.7510 6.8665 6.8665 6.9669 6.9669 7.3916 7.3916 7.5769 7.5769 7.9788 7.9788 8.9353 8.9353 9.2602 9.2602 9.7986 9.7986 9.8698 9.8698 9.9192 9.9192 10.1219 10.1219 10.5549 10.5549 11.2114 11.2114 11.4686 11.4686 k = 0.0000 0.0000 0.1623 ( 9451 PWs) bands (ev): -68.8798 -68.8798 -68.8690 -68.8690 -38.6651 -38.6651 -38.6257 -38.6257 -37.5053 -37.5053 -37.4372 -37.4372 -37.4098 -37.4098 -37.4000 -37.4000 -18.6099 -18.6099 -5.1912 -5.1912 -3.3057 -3.3057 -3.1118 -3.1118 -1.7555 -1.7555 -0.5441 -0.5441 4.9564 4.9564 6.7420 6.7420 6.8513 6.8513 6.9679 6.9679 7.3537 7.3537 7.5778 7.5778 7.9881 7.9881 8.9412 8.9412 9.2650 9.2650 9.7704 9.7704 9.8604 9.8604 9.9095 9.9095 10.1270 10.1270 10.5568 10.5568 11.1476 11.1476 11.4821 11.4821 k = 0.0000 0.0000 0.1854 ( 9455 PWs) bands (ev): -68.8801 -68.8801 -68.8692 -68.8692 -38.6648 -38.6648 -38.6260 -38.6260 -37.5049 -37.5049 -37.4377 -37.4377 -37.4097 -37.4097 -37.4001 -37.4001 -18.6090 -18.6090 -5.1939 -5.1939 -3.3063 -3.3063 -3.1235 -3.1235 -1.7335 -1.7335 -0.5493 -0.5493 4.9798 4.9798 6.7231 6.7231 6.8389 6.8389 6.9684 6.9684 7.3094 7.3094 7.5803 7.5803 7.9969 7.9969 8.9469 8.9469 9.2679 9.2679 9.7389 9.7389 9.8480 9.8480 9.8968 9.8968 10.1321 10.1321 10.5622 10.5622 11.0848 11.0848 11.4932 11.4932 k = 0.0000 0.0000 0.2086 ( 9449 PWs) bands (ev): -68.8793 -68.8793 -68.8693 -68.8693 -38.6645 -38.6645 -38.6263 -38.6263 -37.5045 -37.5045 -37.4382 -37.4382 -37.4097 -37.4097 -37.4001 -37.4001 -18.6079 -18.6079 -5.1970 -5.1970 -3.3071 -3.3071 -3.1360 -3.1360 -1.7093 -1.7093 -0.5550 -0.5550 5.0056 5.0056 6.6953 6.6953 6.8333 6.8333 6.9698 6.9698 7.2601 7.2601 7.5843 7.5843 8.0118 8.0118 8.9542 8.9542 9.2718 9.2718 9.7063 9.7063 9.8369 9.8369 9.8852 9.8852 10.1384 10.1384 10.5642 10.5642 11.0229 11.0229 11.5045 11.5045 k = 0.0000 0.0000 0.2318 ( 9455 PWs) bands (ev): -68.8790 -68.8790 -68.8702 -68.8702 -38.6642 -38.6642 -38.6266 -38.6266 -37.5040 -37.5040 -37.4388 -37.4388 -37.4096 -37.4096 -37.4002 -37.4002 -18.6068 -18.6068 -5.2003 -5.2003 -3.3080 -3.3080 -3.1490 -3.1490 -1.6833 -1.6833 -0.5612 -0.5612 5.0334 5.0334 6.6602 6.6602 6.8322 6.8322 6.9704 6.9704 7.2061 7.2061 7.5885 7.5885 8.0249 8.0249 8.9620 8.9620 9.2736 9.2736 9.6668 9.6668 9.8233 9.8233 9.8739 9.8739 10.1459 10.1459 10.5620 10.5620 10.9626 10.9626 11.5128 11.5128 k = 0.0000 0.0000 0.2550 ( 9439 PWs) bands (ev): -68.8781 -68.8781 -68.8695 -68.8695 -38.6639 -38.6639 -38.6269 -38.6269 -37.5034 -37.5034 -37.4394 -37.4394 -37.4095 -37.4095 -37.4002 -37.4002 -18.6055 -18.6055 -5.2040 -5.2040 -3.3090 -3.3090 -3.1625 -3.1625 -1.6556 -1.6556 -0.5677 -0.5677 5.0634 5.0634 6.6209 6.6209 6.8359 6.8359 6.9742 6.9742 7.1483 7.1483 7.5943 7.5943 8.0384 8.0384 8.9705 8.9705 9.2780 9.2780 9.6320 9.6320 9.8102 9.8102 9.8631 9.8631 10.1542 10.1542 10.5682 10.5682 10.9058 10.9058 11.5209 11.5209 k = 0.0000 0.0000 0.2782 ( 9448 PWs) bands (ev): -68.8785 -68.8785 -68.8701 -68.8701 -38.6635 -38.6635 -38.6273 -38.6273 -37.5028 -37.5028 -37.4401 -37.4401 -37.4094 -37.4094 -37.4003 -37.4003 -18.6042 -18.6042 -5.2080 -5.2080 -3.3104 -3.3104 -3.1760 -3.1760 -1.6266 -1.6266 -0.5746 -0.5746 5.0944 5.0944 6.5776 6.5776 6.8397 6.8397 6.9770 6.9770 7.0870 7.0870 7.5997 7.5997 8.0513 8.0513 8.9742 8.9742 9.2784 9.2784 9.5923 9.5923 9.7907 9.7907 9.8473 9.8473 10.1612 10.1612 10.5707 10.5707 10.8500 10.8500 11.5238 11.5238 k = 0.0000 0.0000 0.3013 ( 9446 PWs) bands (ev): -68.8777 -68.8777 -68.8707 -68.8707 -38.6632 -38.6632 -38.6277 -38.6277 -37.5022 -37.5022 -37.4409 -37.4409 -37.4093 -37.4093 -37.4003 -37.4003 -18.6028 -18.6028 -5.2123 -5.2123 -3.3122 -3.3122 -3.1894 -3.1894 -1.5963 -1.5963 -0.5817 -0.5817 5.1272 5.1272 6.5327 6.5327 6.8456 6.8456 6.9808 6.9808 7.0234 7.0234 7.6056 7.6056 8.0642 8.0642 8.9832 8.9832 9.2762 9.2762 9.5544 9.5544 9.7727 9.7727 9.8333 9.8333 10.1688 10.1688 10.5739 10.5739 10.7972 10.7972 11.5246 11.5246 k = 0.0000 0.0000 0.3245 ( 9438 PWs) bands (ev): -68.8767 -68.8767 -68.8708 -68.8708 -38.6628 -38.6628 -38.6281 -38.6281 -37.5015 -37.5015 -37.4417 -37.4417 -37.4092 -37.4092 -37.4003 -37.4003 -18.6012 -18.6012 -5.2168 -5.2168 -3.3146 -3.3146 -3.2023 -3.2023 -1.5651 -1.5651 -0.5890 -0.5890 5.1603 5.1603 6.4880 6.4880 6.8537 6.8537 6.9578 6.9578 6.9857 6.9857 7.6120 7.6120 8.0802 8.0802 8.9895 8.9895 9.2761 9.2761 9.5179 9.5179 9.7538 9.7538 9.8179 9.8179 10.1759 10.1759 10.5710 10.5710 10.7489 10.7489 11.5245 11.5245 k = 0.0000 0.0000 0.3477 ( 9424 PWs) bands (ev): -68.8764 -68.8764 -68.8698 -68.8698 -38.6623 -38.6623 -38.6286 -38.6286 -37.5008 -37.5008 -37.4426 -37.4426 -37.4090 -37.4090 -37.4003 -37.4003 -18.5996 -18.5996 -5.2216 -5.2216 -3.3177 -3.3177 -3.2143 -3.2143 -1.5331 -1.5331 -0.5964 -0.5964 5.1933 5.1933 6.4447 6.4447 6.8580 6.8580 6.8943 6.8943 6.9925 6.9925 7.6173 7.6173 8.0960 8.0960 8.9950 8.9950 9.2763 9.2763 9.4771 9.4771 9.7352 9.7352 9.8019 9.8019 10.1832 10.1832 10.5780 10.5780 10.7067 10.7067 11.5189 11.5189 k = 0.0000 0.0000 0.3709 ( 9436 PWs) bands (ev): -68.8774 -68.8774 -68.8700 -68.8700 -38.6618 -38.6618 -38.6291 -38.6291 -37.5000 -37.5000 -37.4436 -37.4436 -37.4089 -37.4089 -37.4004 -37.4004 -18.5979 -18.5979 -5.2266 -5.2266 -3.3219 -3.3219 -3.2251 -3.2251 -1.5006 -1.5006 -0.6038 -0.6038 5.2252 5.2252 6.4017 6.4017 6.8159 6.8159 6.8753 6.8753 6.9981 6.9981 7.6216 7.6216 8.1112 8.1112 8.9941 8.9941 9.2721 9.2721 9.4327 9.4327 9.7123 9.7123 9.7783 9.7783 10.1872 10.1872 10.5797 10.5797 10.6669 10.6669 11.5086 11.5086 k = 0.0000 0.0000 0.3941 ( 9452 PWs) bands (ev): -68.8780 -68.8780 -68.8710 -68.8710 -38.6614 -38.6614 -38.6296 -38.6296 -37.4993 -37.4993 -37.4446 -37.4446 -37.4087 -37.4087 -37.4004 -37.4004 -18.5962 -18.5962 -5.2317 -5.2317 -3.3275 -3.3275 -3.2344 -3.2344 -1.4678 -1.4678 -0.6113 -0.6113 5.2558 5.2558 6.3611 6.3611 6.7474 6.7474 6.8808 6.8808 7.0033 7.0033 7.6249 7.6249 8.1245 8.1245 8.9946 8.9946 9.2640 9.2640 9.3889 9.3889 9.6899 9.6899 9.7565 9.7565 10.1907 10.1907 10.5752 10.5752 10.6343 10.6343 11.4934 11.4934 k = 0.0000 0.0000 0.4173 ( 9440 PWs) bands (ev): -68.8770 -68.8770 -68.8708 -68.8708 -38.6609 -38.6609 -38.6301 -38.6301 -37.4985 -37.4985 -37.4457 -37.4457 -37.4086 -37.4086 -37.4003 -37.4003 -18.5943 -18.5943 -5.2371 -5.2371 -3.3345 -3.3345 -3.2419 -3.2419 -1.4347 -1.4347 -0.6185 -0.6185 5.2841 5.2841 6.3242 6.3242 6.6773 6.6773 6.8901 6.8901 7.0104 7.0104 7.6297 7.6297 8.1418 8.1418 8.9939 8.9939 9.2583 9.2583 9.3516 9.3516 9.6741 9.6741 9.7399 9.7399 10.1948 10.1948 10.5660 10.5660 10.6149 10.6149 11.4796 11.4796 k = 0.0000 0.0000 0.4404 ( 9454 PWs) bands (ev): -68.8779 -68.8779 -68.8714 -68.8714 -38.6604 -38.6604 -38.6307 -38.6307 -37.4977 -37.4977 -37.4468 -37.4468 -37.4084 -37.4084 -37.4004 -37.4004 -18.5924 -18.5924 -5.2426 -5.2426 -3.3429 -3.3429 -3.2475 -3.2475 -1.4016 -1.4016 -0.6256 -0.6256 5.3089 5.3089 6.2924 6.2924 6.6064 6.6064 6.8973 6.8973 7.0166 7.0166 7.6315 7.6315 8.1562 8.1562 8.9916 8.9916 9.2461 9.2461 9.3077 9.3077 9.6524 9.6524 9.7158 9.7158 10.1955 10.1955 10.5483 10.5483 10.6098 10.6098 11.4573 11.4573 k = 0.0000 0.0000 0.4636 ( 9458 PWs) bands (ev): -68.8781 -68.8781 -68.8716 -68.8716 -38.6599 -38.6599 -38.6312 -38.6312 -37.4969 -37.4969 -37.4479 -37.4479 -37.4082 -37.4082 -37.4003 -37.4003 -18.5905 -18.5905 -5.2482 -5.2482 -3.3527 -3.3527 -3.2513 -3.2513 -1.3687 -1.3687 -0.6323 -0.6323 5.3291 5.3291 6.2666 6.2666 6.5357 6.5357 6.9054 6.9054 7.0241 7.0241 7.6337 7.6337 8.1699 8.1699 8.9854 8.9854 9.2309 9.2309 9.2671 9.2671 9.6357 9.6357 9.6968 9.6968 10.1966 10.1966 10.5300 10.5300 10.6105 10.6105 11.4334 11.4334 k = 0.0000 0.0000 0.4868 ( 9454 PWs) bands (ev): -68.8775 -68.8775 -68.8718 -68.8718 -38.6594 -38.6594 -38.6318 -38.6318 -37.4960 -37.4960 -37.4491 -37.4491 -37.4079 -37.4079 -37.4003 -37.4003 -18.5885 -18.5885 -5.2539 -5.2539 -3.3634 -3.3634 -3.2537 -3.2537 -1.3361 -1.3361 -0.6388 -0.6388 5.3441 5.3441 6.2476 6.2476 6.4653 6.4653 6.9130 6.9130 7.0323 7.0323 7.6350 7.6350 8.1875 8.1875 8.9771 8.9771 9.2115 9.2115 9.2313 9.2313 9.6216 9.6216 9.6793 9.6793 10.1979 10.1979 10.5159 10.5159 10.6143 10.6143 11.4046 11.4046 k = 0.0000 0.0000 0.5100 ( 9456 PWs) bands (ev): -68.8775 -68.8775 -68.8720 -68.8720 -38.6588 -38.6588 -38.6324 -38.6324 -37.4952 -37.4952 -37.4503 -37.4503 -37.4077 -37.4077 -37.4002 -37.4002 -18.5865 -18.5865 -5.2597 -5.2597 -3.3747 -3.3747 -3.2549 -3.2549 -1.3041 -1.3041 -0.6449 -0.6449 5.3532 5.3532 6.2355 6.2355 6.3960 6.3960 6.9202 6.9202 7.0402 7.0402 7.6354 7.6354 8.2032 8.2032 8.9657 8.9657 9.1877 9.1877 9.1937 9.1937 9.6090 9.6090 9.6614 9.6614 10.1972 10.1972 10.5067 10.5067 10.6190 10.6190 11.3712 11.3712 k = 0.0000 0.0000 0.5332 ( 9452 PWs) bands (ev): -68.8778 -68.8778 -68.8714 -68.8714 -38.6583 -38.6583 -38.6330 -38.6330 -37.4943 -37.4943 -37.4516 -37.4516 -37.4074 -37.4074 -37.4002 -37.4002 -18.5844 -18.5844 -5.2655 -5.2655 -3.3864 -3.3864 -3.2552 -3.2552 -1.2727 -1.2727 -0.6504 -0.6504 5.3563 5.3563 6.2295 6.2295 6.3297 6.3297 6.9278 6.9278 7.0486 7.0486 7.6364 7.6364 8.2207 8.2207 8.9529 8.9529 9.1526 9.1526 9.1649 9.1649 9.5958 9.5958 9.6436 9.6436 10.1953 10.1953 10.5041 10.5041 10.6254 10.6254 11.3350 11.3350 k = 0.0000 0.0000 0.5563 ( 9462 PWs) bands (ev): -68.8782 -68.8782 -68.8720 -68.8720 -38.6577 -38.6577 -38.6337 -38.6337 -37.4935 -37.4935 -37.4528 -37.4528 -37.4071 -37.4071 -37.4001 -37.4001 -18.5823 -18.5823 -5.2713 -5.2713 -3.3982 -3.3982 -3.2547 -3.2547 -1.2420 -1.2420 -0.6555 -0.6555 5.3534 5.3534 6.2181 6.2181 6.2755 6.2755 6.9338 6.9338 7.0554 7.0554 7.6368 7.6368 8.2317 8.2317 8.9356 8.9356 9.1154 9.1154 9.1367 9.1367 9.5850 9.5850 9.6297 9.6297 10.1906 10.1906 10.5033 10.5033 10.6283 10.6283 11.2926 11.2926 k = 0.0000 0.0000 0.5795 ( 9462 PWs) bands (ev): -68.8785 -68.8785 -68.8718 -68.8718 -38.6572 -38.6572 -38.6343 -38.6343 -37.4926 -37.4926 -37.4541 -37.4541 -37.4068 -37.4068 -37.4000 -37.4000 -18.5802 -18.5802 -5.2772 -5.2772 -3.4099 -3.4099 -3.2537 -3.2537 -1.2123 -1.2123 -0.6600 -0.6600 5.3455 5.3455 6.1733 6.1733 6.2630 6.2630 6.9392 6.9392 7.0619 7.0619 7.6376 7.6376 8.2446 8.2446 8.9175 8.9175 9.0769 9.0769 9.1129 9.1129 9.5742 9.5742 9.6193 9.6193 10.1845 10.1845 10.5093 10.5093 10.6332 10.6332 11.2449 11.2449 k = 0.0000 0.0000 0.6027 ( 9454 PWs) bands (ev): -68.8787 -68.8787 -68.8708 -68.8708 -38.6566 -38.6566 -38.6349 -38.6349 -37.4918 -37.4918 -37.4554 -37.4554 -37.4065 -37.4065 -37.4000 -37.4000 -18.5781 -18.5781 -5.2830 -5.2830 -3.4215 -3.4215 -3.2523 -3.2523 -1.1837 -1.1837 -0.6639 -0.6639 5.3338 5.3338 6.1112 6.1112 6.2753 6.2753 6.9446 6.9446 7.0692 7.0692 7.6412 7.6412 8.2583 8.2583 8.8991 8.8991 9.0409 9.0409 9.0829 9.0829 9.5614 9.5614 9.6105 9.6105 10.1796 10.1796 10.5217 10.5217 10.6368 10.6368 11.1946 11.1946 k = 0.0000 0.0000 0.6259 ( 9450 PWs) bands (ev): -68.8781 -68.8781 -68.8710 -68.8710 -38.6560 -38.6560 -38.6356 -38.6356 -37.4909 -37.4909 -37.4567 -37.4567 -37.4062 -37.4062 -37.3999 -37.3999 -18.5759 -18.5759 -5.2887 -5.2887 -3.4328 -3.4328 -3.2505 -3.2505 -1.1562 -1.1562 -0.6671 -0.6671 5.3191 5.3191 6.0471 6.0471 6.2946 6.2946 6.9477 6.9477 7.0740 7.0740 7.6449 7.6449 8.2726 8.2726 8.8793 8.8793 9.0065 9.0065 9.0528 9.0528 9.5499 9.5499 9.6066 9.6066 10.1696 10.1696 10.5378 10.5378 10.6392 10.6392 11.1368 11.1368 k = 0.0000 0.0000 0.6491 ( 9454 PWs) bands (ev): -68.8779 -68.8779 -68.8717 -68.8717 -38.6555 -38.6555 -38.6362 -38.6362 -37.4901 -37.4901 -37.4580 -37.4580 -37.4058 -37.4058 -37.3997 -37.3997 -18.5738 -18.5738 -5.2944 -5.2944 -3.4437 -3.4437 -3.2484 -3.2484 -1.1300 -1.1300 -0.6697 -0.6697 5.3027 5.3027 5.9835 5.9835 6.3174 6.3174 6.9492 6.9492 7.0779 7.0779 7.6500 7.6500 8.2843 8.2843 8.8579 8.8579 8.9744 8.9744 9.0176 9.0176 9.5339 9.5339 9.6060 9.6060 10.1565 10.1565 10.5555 10.5555 10.6402 10.6402 11.0732 11.0732 k = 0.0000 0.0000 0.6722 ( 9462 PWs) bands (ev): -68.8777 -68.8777 -68.8727 -68.8727 -38.6549 -38.6549 -38.6368 -38.6368 -37.4893 -37.4893 -37.4593 -37.4593 -37.4055 -37.4055 -37.3996 -37.3996 -18.5717 -18.5717 -5.2999 -5.2999 -3.4542 -3.4542 -3.2461 -3.2461 -1.1051 -1.1051 -0.6716 -0.6716 5.2855 5.2855 5.9212 5.9212 6.3420 6.3420 6.9489 6.9489 7.0811 7.0811 7.6564 7.6564 8.2952 8.2952 8.8353 8.8353 8.9417 8.9417 8.9800 8.9800 9.5197 9.5197 9.6061 9.6061 10.1419 10.1419 10.5754 10.5754 10.6412 10.6412 11.0034 11.0034 k = 0.0000 0.0000 0.6954 ( 9462 PWs) bands (ev): -68.8771 -68.8771 -68.8733 -68.8733 -38.6544 -38.6544 -38.6375 -38.6375 -37.4886 -37.4886 -37.4606 -37.4606 -37.4051 -37.4051 -37.3995 -37.3995 -18.5696 -18.5696 -5.3054 -5.3054 -3.4643 -3.4643 -3.2437 -3.2437 -1.0817 -1.0817 -0.6728 -0.6728 5.2688 5.2688 5.8603 5.8603 6.3676 6.3676 6.9467 6.9467 7.0845 7.0845 7.6650 7.6650 8.3066 8.3066 8.8119 8.8119 8.9135 8.9135 8.9410 8.9410 9.5077 9.5077 9.6081 9.6081 10.1282 10.1282 10.5964 10.5964 10.6443 10.6443 10.9289 10.9289 k = 0.0000 0.0000 0.7186 ( 9460 PWs) bands (ev): -68.8763 -68.8763 -68.8739 -68.8739 -38.6539 -38.6539 -38.6381 -38.6381 -37.4878 -37.4878 -37.4618 -37.4618 -37.4048 -37.4048 -37.3994 -37.3994 -18.5675 -18.5675 -5.3107 -5.3107 -3.4738 -3.4738 -3.2412 -3.2412 -1.0599 -1.0599 -0.6733 -0.6733 5.2530 5.2530 5.8013 5.8013 6.3929 6.3929 6.9421 6.9421 7.0874 7.0874 7.6776 7.6776 8.3144 8.3144 8.7899 8.7899 8.8855 8.8855 8.9007 8.9007 9.4990 9.4990 9.6137 9.6137 10.1124 10.1124 10.6150 10.6150 10.6491 10.6491 10.8522 10.8522 k = 0.0000 0.0000 0.7418 ( 9464 PWs) bands (ev): -68.8758 -68.8758 -68.8750 -68.8750 -38.6533 -38.6533 -38.6387 -38.6387 -37.4871 -37.4871 -37.4631 -37.4631 -37.4044 -37.4044 -37.3993 -37.3993 -18.5655 -18.5655 -5.3159 -5.3159 -3.4829 -3.4829 -3.2386 -3.2386 -1.0396 -1.0396 -0.6732 -0.6732 5.2389 5.2389 5.7433 5.7433 6.4171 6.4171 6.9347 6.9347 7.0907 7.0907 7.6893 7.6893 8.3221 8.3221 8.7685 8.7685 8.8564 8.8564 8.8644 8.8644 9.4890 9.4890 9.6180 9.6180 10.0965 10.0965 10.6228 10.6228 10.6606 10.6606 10.7690 10.7690 k = 0.0000 0.0000 0.7650 ( 9454 PWs) bands (ev): -68.8758 -68.8758 -68.8740 -68.8740 -38.6528 -38.6528 -38.6393 -38.6393 -37.4864 -37.4864 -37.4643 -37.4643 -37.4040 -37.4040 -37.3992 -37.3992 -18.5635 -18.5635 -5.3208 -5.3208 -3.4915 -3.4915 -3.2359 -3.2359 -1.0209 -1.0209 -0.6724 -0.6724 5.2268 5.2268 5.6880 5.6880 6.4394 6.4394 6.9246 6.9246 7.0947 7.0947 7.7069 7.7069 8.3273 8.3273 8.7469 8.7469 8.8266 8.8266 8.8357 8.8357 9.4814 9.4814 9.6221 9.6221 10.0822 10.0822 10.6275 10.6275 10.6716 10.6716 10.6970 10.6970 k = 0.0000 0.0000 0.7881 ( 9446 PWs) bands (ev): -68.8748 -68.8748 -68.8742 -68.8742 -38.6523 -38.6523 -38.6399 -38.6399 -37.4857 -37.4857 -37.4655 -37.4655 -37.4036 -37.4036 -37.3990 -37.3990 -18.5615 -18.5615 -5.3256 -5.3256 -3.4996 -3.4996 -3.2332 -3.2332 -1.0038 -1.0038 -0.6709 -0.6709 5.2174 5.2174 5.6347 5.6347 6.4589 6.4589 6.9119 6.9119 7.0986 7.0986 7.7258 7.7258 8.3330 8.3330 8.7268 8.7268 8.8009 8.8009 8.8028 8.8028 9.4746 9.4746 9.6295 9.6295 10.0651 10.0651 10.5894 10.5894 10.6392 10.6392 10.7040 10.7040 k = 0.0000 0.0000 0.8113 ( 9454 PWs) bands (ev): -68.8751 -68.8751 -68.8748 -68.8748 -38.6518 -38.6518 -38.6405 -38.6405 -37.4850 -37.4850 -37.4667 -37.4667 -37.4031 -37.4031 -37.3989 -37.3989 -18.5596 -18.5596 -5.3303 -5.3303 -3.5071 -3.5071 -3.2306 -3.2306 -0.9884 -0.9884 -0.6689 -0.6689 5.2109 5.2109 5.5835 5.5835 6.4757 6.4757 6.8966 6.8966 7.1022 7.1022 7.7452 7.7452 8.3373 8.3373 8.7065 8.7065 8.7656 8.7656 8.7761 8.7761 9.4629 9.4629 9.6321 9.6321 10.0443 10.0443 10.5031 10.5031 10.6376 10.6376 10.7228 10.7228 k = 0.0000 0.0000 0.8345 ( 9454 PWs) bands (ev): -68.8754 -68.8754 -68.8745 -68.8745 -38.6514 -38.6514 -38.6411 -38.6411 -37.4844 -37.4844 -37.4679 -37.4679 -37.4027 -37.4027 -37.3987 -37.3987 -18.5578 -18.5578 -5.3347 -5.3347 -3.5141 -3.5141 -3.2279 -3.2279 -0.9747 -0.9747 -0.6663 -0.6663 5.2072 5.2072 5.5345 5.5345 6.4894 6.4894 6.8791 6.8791 7.1061 7.1061 7.7685 7.7685 8.3396 8.3396 8.6877 8.6877 8.7304 8.7304 8.7513 8.7513 9.4559 9.4559 9.6416 9.6416 10.0226 10.0226 10.4151 10.4151 10.6372 10.6372 10.7406 10.7406 k = 0.0000 0.0000 0.8577 ( 9450 PWs) bands (ev): -68.8752 -68.8752 -68.8744 -68.8744 -38.6509 -38.6509 -38.6416 -38.6416 -37.4838 -37.4838 -37.4690 -37.4690 -37.4023 -37.4023 -37.3986 -37.3986 -18.5560 -18.5560 -5.3389 -5.3389 -3.5206 -3.5206 -3.2254 -3.2254 -0.9624 -0.9624 -0.6632 -0.6632 5.2067 5.2067 5.4879 5.4879 6.4995 6.4995 6.8600 6.8600 7.1107 7.1107 7.7951 7.7951 8.3407 8.3407 8.6693 8.6693 8.6994 8.6994 8.7279 8.7279 9.4513 9.4513 9.6465 9.6465 10.0026 10.0026 10.3287 10.3287 10.6377 10.6377 10.7547 10.7547 k = 0.0000 0.0000 0.8809 ( 9448 PWs) bands (ev): -68.8749 -68.8749 -68.8744 -68.8744 -38.6504 -38.6504 -38.6422 -38.6422 -37.4832 -37.4832 -37.4701 -37.4701 -37.4019 -37.4019 -37.3985 -37.3985 -18.5543 -18.5543 -5.3428 -5.3428 -3.5266 -3.5266 -3.2228 -3.2228 -0.9518 -0.9518 -0.6597 -0.6597 5.2093 5.2093 5.4438 5.4438 6.5058 6.5058 6.8396 6.8396 7.1152 7.1152 7.8221 7.8221 8.3398 8.3398 8.6510 8.6510 8.6734 8.6734 8.7058 8.7058 9.4465 9.4465 9.6515 9.6515 9.9809 9.9809 10.2409 10.2409 10.6387 10.6387 10.7657 10.7657 k = 0.0000 0.0000 0.9040 ( 9448 PWs) bands (ev): -68.8751 -68.8751 -68.8743 -68.8743 -38.6500 -38.6500 -38.6427 -38.6427 -37.4827 -37.4827 -37.4711 -37.4711 -37.4015 -37.4015 -37.3984 -37.3984 -18.5526 -18.5526 -5.3466 -5.3466 -3.5321 -3.5321 -3.2204 -3.2204 -0.9425 -0.9425 -0.6558 -0.6558 5.2149 5.2149 5.4021 5.4021 6.5084 6.5084 6.8184 6.8184 7.1197 7.1197 7.8506 7.8506 8.3380 8.3381 8.6316 8.6316 8.6466 8.6466 8.6866 8.6866 9.4425 9.4425 9.6578 9.6578 9.9584 9.9584 10.1541 10.1541 10.6390 10.6390 10.7737 10.7737 k = 0.0000 0.0000 0.9272 ( 9462 PWs) bands (ev): -68.8756 -68.8756 -68.8752 -68.8752 -38.6496 -38.6496 -38.6432 -38.6432 -37.4822 -37.4822 -37.4721 -37.4721 -37.4011 -37.4011 -37.3983 -37.3983 -18.5511 -18.5511 -5.3501 -5.3501 -3.5371 -3.5371 -3.2181 -3.2181 -0.9347 -0.9347 -0.6516 -0.6516 5.2226 5.2226 5.3631 5.3631 6.5071 6.5071 6.7966 6.7966 7.1238 7.1238 7.8794 7.8794 8.3335 8.3335 8.6086 8.6086 8.6260 8.6260 8.6654 8.6654 9.4384 9.4384 9.6621 9.6621 9.9333 9.9333 10.0674 10.0674 10.6380 10.6380 10.7720 10.7720 k = 0.0000 0.0000 0.9504 ( 9466 PWs) bands (ev): -68.8759 -68.8759 -68.8754 -68.8754 -38.6492 -38.6492 -38.6437 -38.6437 -37.4818 -37.4818 -37.4731 -37.4731 -37.4007 -37.4007 -37.3982 -37.3982 -18.5496 -18.5496 -5.3534 -5.3534 -3.5417 -3.5417 -3.2158 -3.2158 -0.9281 -0.9281 -0.6472 -0.6472 5.2328 5.2328 5.3274 5.3274 6.5024 6.5024 6.7748 6.7748 7.1280 7.1280 7.9102 7.9102 8.3278 8.3278 8.5876 8.5876 8.6096 8.6096 8.6478 8.6478 9.4355 9.4355 9.6667 9.6667 9.9098 9.9098 9.9842 9.9842 10.6386 10.6386 10.7704 10.7704 k = 0.0000 0.0000 0.9736 ( 9466 PWs) bands (ev): -68.8759 -68.8759 -68.8753 -68.8753 -38.6489 -38.6489 -38.6441 -38.6441 -37.4814 -37.4814 -37.4740 -37.4740 -37.4004 -37.4004 -37.3981 -37.3981 -18.5482 -18.5482 -5.3564 -5.3564 -3.5458 -3.5458 -3.2137 -3.2137 -0.9227 -0.9227 -0.6427 -0.6427 5.2440 5.2440 5.2964 5.2964 6.4945 6.4945 6.7532 6.7532 7.1322 7.1322 7.9411 7.9411 8.3230 8.3230 8.5634 8.5634 8.5958 8.5958 8.6331 8.6331 9.4367 9.4367 9.6712 9.6712 9.8856 9.8856 9.9023 9.9023 10.6387 10.6387 10.7738 10.7738 k = 0.0000 0.0000 0.9968 ( 9470 PWs) bands (ev): -68.8760 -68.8760 -68.8756 -68.8756 -38.6486 -38.6486 -38.6445 -38.6445 -37.4810 -37.4810 -37.4748 -37.4748 -37.4000 -37.4000 -37.3980 -37.3980 -18.5469 -18.5469 -5.3592 -5.3592 -3.5495 -3.5495 -3.2117 -3.2117 -0.9184 -0.9184 -0.6382 -0.6382 5.2440 5.2440 5.2812 5.2812 6.4837 6.4837 6.7322 6.7322 7.1363 7.1363 7.9729 7.9729 8.3158 8.3158 8.5406 8.5406 8.5837 8.5837 8.6165 8.6165 9.4393 9.4393 9.6739 9.6739 9.8241 9.8241 9.8638 9.8638 10.6403 10.6403 10.7728 10.7728 k = 0.0000 0.0000 1.0199 ( 9470 PWs) bands (ev): -68.8765 -68.8765 -68.8750 -68.8750 -38.6483 -38.6483 -38.6449 -38.6449 -37.4806 -37.4806 -37.4755 -37.4755 -37.3997 -37.3997 -37.3979 -37.3979 -18.5457 -18.5457 -5.3618 -5.3618 -3.5528 -3.5528 -3.2098 -3.2098 -0.9150 -0.9150 -0.6337 -0.6337 5.2232 5.2232 5.2914 5.2914 6.4704 6.4704 6.7121 6.7121 7.1404 7.1404 8.0051 8.0051 8.3088 8.3088 8.5154 8.5154 8.5757 8.5757 8.6048 8.6048 9.4448 9.4448 9.6777 9.6777 9.7508 9.7508 9.8407 9.8407 10.6387 10.6387 10.7709 10.7709 k = 0.0000 0.0000 1.0431 ( 9460 PWs) bands (ev): -68.8758 -68.8758 -68.8747 -68.8747 -38.6480 -38.6480 -38.6453 -38.6453 -37.4803 -37.4803 -37.4762 -37.4762 -37.3994 -37.3994 -37.3978 -37.3978 -18.5446 -18.5446 -5.3641 -5.3641 -3.5557 -3.5557 -3.2081 -3.2081 -0.9123 -0.9123 -0.6293 -0.6293 5.1988 5.1988 5.3090 5.3090 6.4551 6.4551 6.6932 6.6932 7.1446 7.1446 8.0372 8.0372 8.2997 8.2997 8.4983 8.4983 8.5688 8.5688 8.5959 8.5959 9.4544 9.4544 9.6812 9.6812 9.6843 9.6843 9.8234 9.8234 10.6399 10.6399 10.7630 10.7630 k = 0.0000 0.0000 1.0663 ( 9470 PWs) bands (ev): -68.8763 -68.8763 -68.8753 -68.8753 -38.6477 -38.6477 -38.6456 -38.6456 -37.4800 -37.4800 -37.4769 -37.4769 -37.3991 -37.3991 -37.3977 -37.3977 -18.5436 -18.5436 -5.3662 -5.3662 -3.5582 -3.5582 -3.2066 -3.2066 -0.9104 -0.9104 -0.6251 -0.6251 5.1758 5.1758 5.3287 5.3287 6.4383 6.4383 6.6754 6.6754 7.1474 7.1474 8.0673 8.0673 8.2901 8.2901 8.4805 8.4805 8.5625 8.5625 8.5853 8.5853 9.4565 9.4565 9.6156 9.6156 9.6864 9.6864 9.7976 9.7976 10.6384 10.6384 10.7574 10.7574 k = 0.0000 0.0000 1.0895 ( 9460 PWs) bands (ev): -68.8754 -68.8754 -68.8751 -68.8751 -38.6475 -38.6475 -38.6459 -38.6459 -37.4797 -37.4797 -37.4774 -37.4774 -37.3988 -37.3988 -37.3977 -37.3977 -18.5428 -18.5428 -5.3680 -5.3680 -3.5604 -3.5604 -3.2052 -3.2052 -0.9089 -0.9089 -0.6213 -0.6213 5.1557 5.1557 5.3498 5.3498 6.4212 6.4212 6.6593 6.6593 7.1506 7.1506 8.0961 8.0961 8.2822 8.2822 8.4648 8.4648 8.5564 8.5564 8.5756 8.5756 9.4648 9.4648 9.5557 9.5557 9.6887 9.6887 9.7840 9.7840 10.6447 10.6447 10.7580 10.7580 k = 0.0000 0.0000 1.1127 ( 9472 PWs) bands (ev): -68.8760 -68.8760 -68.8757 -68.8757 -38.6473 -38.6473 -38.6461 -38.6461 -37.4795 -37.4795 -37.4779 -37.4779 -37.3986 -37.3986 -37.3976 -37.3976 -18.5420 -18.5420 -5.3696 -5.3696 -3.5622 -3.5622 -3.2039 -3.2039 -0.9080 -0.9080 -0.6178 -0.6178 5.1374 5.1374 5.3702 5.3702 6.4035 6.4035 6.6448 6.6448 7.1529 7.1529 8.1222 8.1222 8.2718 8.2718 8.4504 8.4504 8.5526 8.5526 8.5692 8.5692 9.4657 9.4657 9.5014 9.5014 9.6899 9.6899 9.7605 9.7605 10.6403 10.6403 10.7548 10.7548 k = 0.0000 0.0000 1.1359 ( 9470 PWs) bands (ev): -68.8760 -68.8760 -68.8754 -68.8754 -38.6472 -38.6472 -38.6463 -38.6463 -37.4793 -37.4793 -37.4783 -37.4783 -37.3984 -37.3984 -37.3976 -37.3976 -18.5413 -18.5413 -5.3709 -5.3709 -3.5638 -3.5638 -3.2029 -3.2029 -0.9074 -0.9074 -0.6148 -0.6148 5.1221 5.1221 5.3898 5.3898 6.3866 6.3866 6.6322 6.6322 7.1553 7.1553 8.1459 8.1459 8.2628 8.2628 8.4403 8.4403 8.5499 8.5499 8.5654 8.5654 9.4406 9.4406 9.4856 9.4856 9.6922 9.6922 9.7418 9.7418 10.6395 10.6395 10.7548 10.7548 k = 0.0000 0.0000 1.1590 ( 9486 PWs) bands (ev): -68.8766 -68.8766 -68.8765 -68.8765 -38.6470 -38.6470 -38.6465 -38.6465 -37.4792 -37.4792 -37.4787 -37.4787 -37.3983 -37.3983 -37.3976 -37.3976 -18.5408 -18.5408 -5.3720 -5.3720 -3.5650 -3.5650 -3.2020 -3.2020 -0.9070 -0.9070 -0.6122 -0.6122 5.1094 5.1094 5.4073 5.4073 6.3713 6.3713 6.6216 6.6216 7.1567 7.1567 8.1660 8.1660 8.2547 8.2547 8.4282 8.4282 8.5411 8.5411 8.5627 8.5627 9.3971 9.3971 9.4872 9.4872 9.6917 9.6917 9.7249 9.7249 10.6394 10.6394 10.7505 10.7505 k = 0.0000 0.0000 1.1822 ( 9490 PWs) bands (ev): -68.8769 -68.8769 -68.8766 -68.8766 -38.6469 -38.6469 -38.6467 -38.6467 -37.4791 -37.4791 -37.4790 -37.4790 -37.3981 -37.3981 -37.3975 -37.3975 -18.5404 -18.5404 -5.3729 -5.3729 -3.5659 -3.5659 -3.2013 -3.2013 -0.9068 -0.9068 -0.6101 -0.6101 5.0996 5.0996 5.4220 5.4220 6.3582 6.3582 6.6132 6.6132 7.1581 7.1581 8.1824 8.1824 8.2479 8.2479 8.4201 8.4201 8.5397 8.5397 8.5627 8.5627 9.3607 9.3607 9.4935 9.4935 9.6927 9.6927 9.7091 9.7091 10.6393 10.6393 10.7489 10.7489 k = 0.0000 0.0000 1.2054 ( 9518 PWs) bands (ev): -68.8786 -68.8786 -68.8778 -68.8778 -38.6469 -38.6469 -38.6468 -38.6468 -37.4792 -37.4792 -37.4791 -37.4791 -37.3981 -37.3981 -37.3975 -37.3975 -18.5401 -18.5401 -5.3735 -5.3735 -3.5666 -3.5666 -3.2008 -3.2008 -0.9067 -0.9067 -0.6086 -0.6086 5.0923 5.0923 5.4319 5.4319 6.3481 6.3481 6.6068 6.6068 7.1586 7.1586 8.1941 8.1941 8.2415 8.2415 8.4116 8.4116 8.5385 8.5385 8.5615 8.5615 9.3272 9.3272 9.4943 9.4943 9.6871 9.6871 9.6962 9.6962 10.6350 10.6350 10.7373 10.7373 k = 0.0000 0.0000 1.2286 ( 9514 PWs) bands (ev): -68.8782 -68.8782 -68.8778 -68.8778 -38.6468 -38.6468 -38.6468 -38.6468 -37.4793 -37.4793 -37.4790 -37.4790 -37.3980 -37.3980 -37.3975 -37.3975 -18.5399 -18.5399 -5.3738 -5.3738 -3.5670 -3.5670 -3.2005 -3.2005 -0.9067 -0.9067 -0.6077 -0.6077 5.0880 5.0880 5.4388 5.4388 6.3418 6.3418 6.6031 6.6031 7.1592 7.1592 8.2017 8.2017 8.2386 8.2386 8.4106 8.4106 8.5380 8.5380 8.5623 8.5623 9.3111 9.3111 9.4983 9.4983 9.6828 9.6828 9.6955 9.6955 10.6384 10.6384 10.7364 10.7364 k = 0.0000 0.0000 1.2518 ( 9508 PWs) bands (ev): -68.8784 -68.8784 -68.8770 -68.8770 -38.6469 -38.6469 -38.6468 -38.6468 -37.4794 -37.4794 -37.4790 -37.4790 -37.3980 -37.3980 -37.3975 -37.3975 -18.5398 -18.5398 -5.3740 -5.3740 -3.5671 -3.5671 -3.2004 -3.2004 -0.9066 -0.9066 -0.6074 -0.6074 5.0867 5.0867 5.4408 5.4408 6.3398 6.3398 6.6022 6.6022 7.1593 7.1593 8.2038 8.2038 8.2393 8.2393 8.4119 8.4119 8.5377 8.5377 8.5594 8.5594 9.3123 9.3123 9.4982 9.4982 9.6867 9.6867 9.6942 9.6942 10.6387 10.6387 10.7346 10.7346 k = 0.0000 0.0000 1.2518 ( 9508 PWs) bands (ev): -68.8784 -68.8784 -68.8770 -68.8770 -38.6469 -38.6469 -38.6468 -38.6468 -37.4794 -37.4794 -37.4790 -37.4790 -37.3980 -37.3980 -37.3975 -37.3975 -18.5398 -18.5398 -5.3740 -5.3740 -3.5671 -3.5671 -3.2004 -3.2004 -0.9066 -0.9066 -0.6074 -0.6074 5.0867 5.0867 5.4408 5.4408 6.3398 6.3398 6.6022 6.6022 7.1593 7.1593 8.2038 8.2038 8.2393 8.2393 8.4119 8.4119 8.5377 8.5377 8.5594 8.5594 9.3123 9.3123 9.4982 9.4982 9.6867 9.6867 9.6942 9.6942 10.6387 10.6387 10.7346 10.7346 k =-0.0079 0.0182 1.2518 ( 9516 PWs) bands (ev): -68.8784 -68.8784 -68.8778 -68.8778 -38.6469 -38.6469 -38.6468 -38.6468 -37.4794 -37.4794 -37.4790 -37.4790 -37.3980 -37.3980 -37.3975 -37.3975 -18.5399 -18.5399 -5.3739 -5.3739 -3.5670 -3.5670 -3.2005 -3.2005 -0.9062 -0.9062 -0.6082 -0.6082 5.0882 5.0882 5.4418 5.4418 6.3401 6.3401 6.6023 6.6023 7.1579 7.1579 8.1950 8.1950 8.2379 8.2379 8.4194 8.4194 8.5383 8.5383 8.5594 8.5594 9.3088 9.3088 9.4990 9.4990 9.6808 9.6808 9.6945 9.6945 10.6389 10.6389 10.7346 10.7346 k =-0.0158 0.0363 1.2518 ( 9516 PWs) bands (ev): -68.8784 -68.8784 -68.8778 -68.8778 -38.6469 -38.6469 -38.6467 -38.6467 -37.4794 -37.4794 -37.4789 -37.4789 -37.3980 -37.3980 -37.3976 -37.3976 -18.5400 -18.5400 -5.3736 -5.3736 -3.5667 -3.5667 -3.2008 -3.2008 -0.9049 -0.9049 -0.6106 -0.6106 5.0927 5.0927 5.4447 5.4447 6.3414 6.3414 6.6032 6.6032 7.1541 7.1541 8.1719 8.1719 8.2385 8.2385 8.4389 8.4389 8.5403 8.5403 8.5616 8.5616 9.3097 9.3097 9.5023 9.5023 9.6803 9.6803 9.6916 9.6916 10.6402 10.6402 10.7326 10.7326 k =-0.0237 0.0545 1.2518 ( 9506 PWs) bands (ev): -68.8781 -68.8781 -68.8771 -68.8771 -38.6470 -38.6470 -38.6467 -38.6467 -37.4795 -37.4795 -37.4787 -37.4787 -37.3980 -37.3980 -37.3976 -37.3976 -18.5402 -18.5402 -5.3732 -5.3732 -3.5662 -3.5662 -3.2012 -3.2012 -0.9028 -0.9028 -0.6146 -0.6146 5.1003 5.1003 5.4496 5.4496 6.3436 6.3436 6.6046 6.6046 7.1483 7.1483 8.1389 8.1389 8.2402 8.2402 8.4632 8.4632 8.5482 8.5482 8.5626 8.5626 9.3105 9.3105 9.5133 9.5133 9.6795 9.6795 9.6960 9.6960 10.6419 10.6419 10.7334 10.7334 k =-0.0316 0.0726 1.2518 ( 9498 PWs) bands (ev): -68.8773 -68.8773 -68.8771 -68.8771 -38.6470 -38.6470 -38.6466 -38.6466 -37.4795 -37.4795 -37.4785 -37.4785 -37.3980 -37.3980 -37.3977 -37.3977 -18.5405 -18.5405 -5.3725 -5.3725 -3.5654 -3.5654 -3.2019 -3.2019 -0.8999 -0.8999 -0.6201 -0.6201 5.1111 5.1111 5.4562 5.4562 6.3468 6.3468 6.6066 6.6066 7.1392 7.1392 8.1007 8.1007 8.2436 8.2436 8.4928 8.4928 8.5523 8.5523 8.5630 8.5630 9.3148 9.3148 9.5182 9.5182 9.6825 9.6825 9.6981 9.6981 10.6478 10.6478 10.7332 10.7332 k =-0.0396 0.0908 1.2518 ( 9494 PWs) bands (ev): -68.8770 -68.8770 -68.8769 -68.8769 -38.6471 -38.6471 -38.6464 -38.6464 -37.4796 -37.4796 -37.4783 -37.4783 -37.3980 -37.3980 -37.3978 -37.3978 -18.5409 -18.5409 -5.3717 -5.3717 -3.5644 -3.5644 -3.2027 -3.2027 -0.8962 -0.8962 -0.6271 -0.6271 5.1245 5.1245 5.4646 5.4646 6.3505 6.3505 6.6093 6.6093 7.1278 7.1278 8.0590 8.0590 8.2459 8.2459 8.5225 8.5225 8.5577 8.5577 8.5649 8.5649 9.3209 9.3209 9.5245 9.5245 9.6824 9.6824 9.7009 9.7009 10.6516 10.6516 10.7330 10.7330 k =-0.0475 0.1089 1.2518 ( 9498 PWs) bands (ev): -68.8773 -68.8773 -68.8770 -68.8770 -38.6473 -38.6473 -38.6463 -38.6463 -37.4798 -37.4798 -37.4780 -37.4780 -37.3981 -37.3981 -37.3980 -37.3980 -18.5414 -18.5414 -5.3708 -5.3708 -3.5632 -3.5632 -3.2036 -3.2036 -0.8919 -0.8919 -0.6354 -0.6354 5.1402 5.1402 5.4753 5.4753 6.3549 6.3549 6.6123 6.6123 7.1139 7.1139 8.0150 8.0150 8.2474 8.2474 8.5447 8.5447 8.5623 8.5623 8.5761 8.5761 9.3238 9.3238 9.5299 9.5299 9.6808 9.6808 9.7040 9.7040 10.6518 10.6518 10.7340 10.7340 k =-0.0475 0.1089 1.2518 ( 9498 PWs) bands (ev): -68.8773 -68.8773 -68.8770 -68.8770 -38.6473 -38.6473 -38.6463 -38.6463 -37.4798 -37.4798 -37.4780 -37.4780 -37.3981 -37.3981 -37.3980 -37.3980 -18.5414 -18.5414 -5.3708 -5.3708 -3.5632 -3.5632 -3.2036 -3.2036 -0.8919 -0.8919 -0.6354 -0.6354 5.1402 5.1402 5.4753 5.4753 6.3549 6.3549 6.6123 6.6123 7.1139 7.1139 8.0150 8.0150 8.2474 8.2474 8.5447 8.5447 8.5623 8.5623 8.5761 8.5761 9.3238 9.3238 9.5299 9.5299 9.6808 9.6808 9.7040 9.7040 10.6518 10.6518 10.7340 10.7340 k =-0.0539 0.1238 1.2356 ( 9502 PWs) bands (ev): -68.8774 -68.8774 -68.8773 -68.8773 -38.6474 -38.6474 -38.6461 -38.6461 -37.4799 -37.4799 -37.4777 -37.4777 -37.3982 -37.3982 -37.3981 -37.3981 -18.5419 -18.5419 -5.3698 -5.3698 -3.5620 -3.5620 -3.2046 -3.2046 -0.8878 -0.8878 -0.6435 -0.6435 5.1561 5.1561 5.4836 5.4836 6.3601 6.3601 6.6158 6.6158 7.1012 7.1012 7.9767 7.9767 8.2504 8.2504 8.5502 8.5502 8.5676 8.5676 8.5921 8.5921 9.3299 9.3299 9.5363 9.5363 9.6813 9.6813 9.7074 9.7074 10.6545 10.6545 10.7331 10.7331 k =-0.0604 0.1386 1.2194 ( 9496 PWs) bands (ev): -68.8771 -68.8771 -68.8770 -68.8770 -38.6475 -38.6475 -38.6460 -38.6460 -37.4800 -37.4800 -37.4774 -37.4774 -37.3983 -37.3983 -37.3982 -37.3982 -18.5425 -18.5425 -5.3686 -5.3686 -3.5605 -3.5605 -3.2056 -3.2056 -0.8832 -0.8832 -0.6527 -0.6527 5.1751 5.1751 5.4911 5.4911 6.3679 6.3679 6.6207 6.6207 7.0874 7.0874 7.9376 7.9376 8.2554 8.2554 8.5508 8.5508 8.5757 8.5757 8.6169 8.6169 9.3396 9.3396 9.5421 9.5421 9.6841 9.6841 9.7113 9.7113 10.6626 10.6626 10.7359 10.7359 k =-0.0669 0.1534 1.2032 ( 9479 PWs) bands (ev): -68.8764 -68.8764 -68.8759 -68.8759 -38.6475 -38.6475 -38.6458 -38.6458 -37.4800 -37.4800 -37.4770 -37.4770 -37.3985 -37.3985 -37.3983 -37.3983 -18.5432 -18.5432 -5.3672 -5.3672 -3.5588 -3.5588 -3.2067 -3.2067 -0.8783 -0.8783 -0.6629 -0.6629 5.1969 5.1969 5.4973 5.4973 6.3781 6.3781 6.6272 6.6272 7.0728 7.0728 7.8982 7.8982 8.2611 8.2611 8.5518 8.5518 8.5876 8.5876 8.6454 8.6454 9.3540 9.3540 9.5467 9.5467 9.6897 9.6897 9.7206 9.7206 10.6718 10.6718 10.7408 10.7409 k =-0.0733 0.1683 1.1870 ( 9483 PWs) bands (ev): -68.8766 -68.8766 -68.8760 -68.8760 -38.6476 -38.6476 -38.6457 -38.6457 -37.4800 -37.4800 -37.4767 -37.4767 -37.3987 -37.3987 -37.3984 -37.3984 -18.5440 -18.5440 -5.3657 -5.3657 -3.5570 -3.5570 -3.2077 -3.2077 -0.8731 -0.8731 -0.6741 -0.6741 5.2207 5.2207 5.5015 5.5015 6.3905 6.3905 6.6349 6.6349 7.0575 7.0575 7.8573 7.8573 8.2668 8.2668 8.5496 8.5496 8.5954 8.5954 8.6716 8.6716 9.3668 9.3668 9.5491 9.5491 9.6984 9.6984 9.7263 9.7263 10.6785 10.6785 10.7414 10.7414 k =-0.0798 0.1831 1.1708 ( 9471 PWs) bands (ev): -68.8764 -68.8764 -68.8749 -68.8749 -38.6477 -38.6477 -38.6455 -38.6455 -37.4800 -37.4800 -37.4764 -37.4764 -37.3989 -37.3989 -37.3985 -37.3985 -18.5449 -18.5449 -5.3640 -5.3640 -3.5551 -3.5551 -3.2087 -3.2087 -0.8676 -0.8676 -0.6862 -0.6862 5.2472 5.2472 5.5047 5.5047 6.4051 6.4051 6.6441 6.6441 7.0422 7.0422 7.8168 7.8168 8.2749 8.2749 8.5495 8.5495 8.6064 8.6064 8.7007 8.7007 9.3842 9.3842 9.5530 9.5530 9.7075 9.7075 9.7374 9.7374 10.6873 10.6873 10.7476 10.7476 k =-0.0862 0.1980 1.1546 ( 9467 PWs) bands (ev): -68.8765 -68.8765 -68.8745 -68.8745 -38.6478 -38.6478 -38.6454 -38.6454 -37.4800 -37.4800 -37.4760 -37.4760 -37.3991 -37.3991 -37.3986 -37.3986 -18.5458 -18.5458 -5.3622 -5.3622 -3.5531 -3.5531 -3.2095 -3.2095 -0.8617 -0.8617 -0.6991 -0.6991 5.2758 5.2758 5.5059 5.5059 6.4216 6.4216 6.6545 6.6545 7.0269 7.0269 7.7765 7.7765 8.2859 8.2859 8.5481 8.5481 8.6174 8.6174 8.7283 8.7283 9.3985 9.3985 9.5528 9.5528 9.7181 9.7181 9.7493 9.7493 10.6989 10.6989 10.7500 10.7500 k =-0.0927 0.2128 1.1385 ( 9479 PWs) bands (ev): -68.8769 -68.8769 -68.8753 -68.8753 -38.6479 -38.6479 -38.6453 -38.6453 -37.4800 -37.4800 -37.4756 -37.4756 -37.3994 -37.3994 -37.3988 -37.3988 -18.5469 -18.5469 -5.3603 -5.3603 -3.5511 -3.5511 -3.2100 -3.2100 -0.8557 -0.8557 -0.7128 -0.7128 5.3058 5.3058 5.5050 5.5050 6.4393 6.4393 6.6658 6.6658 7.0118 7.0118 7.7357 7.7357 8.2965 8.2965 8.5449 8.5449 8.6281 8.6281 8.7542 8.7542 9.4104 9.4104 9.5491 9.5491 9.7301 9.7301 9.7600 9.7600 10.7081 10.7081 10.7494 10.7494 k =-0.0992 0.2276 1.1223 ( 9473 PWs) bands (ev): -68.8769 -68.8769 -68.8746 -68.8746 -38.6479 -38.6479 -38.6451 -38.6451 -37.4800 -37.4800 -37.4752 -37.4752 -37.3996 -37.3996 -37.3990 -37.3990 -18.5480 -18.5480 -5.3584 -5.3584 -3.5492 -3.5492 -3.2101 -3.2101 -0.8496 -0.8496 -0.7270 -0.7270 5.3374 5.3374 5.5035 5.5035 6.4583 6.4583 6.6785 6.6785 6.9977 6.9977 7.6967 7.6967 8.3081 8.3081 8.5460 8.5460 8.6404 8.6404 8.7844 8.7844 9.4211 9.4211 9.5476 9.5476 9.7460 9.7460 9.7776 9.7776 10.7210 10.7210 10.7554 10.7554 k =-0.1056 0.2425 1.1061 ( 9476 PWs) bands (ev): -68.8772 -68.8772 -68.8746 -68.8746 -38.6480 -38.6480 -38.6450 -38.6450 -37.4799 -37.4799 -37.4748 -37.4748 -37.3999 -37.3999 -37.3992 -37.3992 -18.5493 -18.5493 -5.3564 -5.3564 -3.5474 -3.5474 -3.2097 -3.2097 -0.8433 -0.8433 -0.7417 -0.7417 5.3697 5.3697 5.5002 5.5002 6.4783 6.4783 6.6920 6.6920 6.9847 6.9847 7.6593 7.6593 8.3222 8.3222 8.5442 8.5442 8.6532 8.6532 8.8123 8.8123 9.4318 9.4318 9.5429 9.5429 9.7610 9.7610 9.7964 9.7964 10.7315 10.7315 10.7603 10.7603 k =-0.1121 0.2573 1.0899 ( 9472 PWs) bands (ev): -68.8770 -68.8770 -68.8744 -68.8744 -38.6480 -38.6480 -38.6448 -38.6448 -37.4799 -37.4799 -37.4744 -37.4744 -37.4002 -37.4002 -37.3994 -37.3994 -18.5505 -18.5505 -5.3544 -5.3544 -3.5458 -3.5458 -3.2089 -3.2089 -0.8370 -0.8370 -0.7568 -0.7568 5.4029 5.4029 5.4957 5.4957 6.4988 6.4988 6.7066 6.7066 6.9732 6.9732 7.6234 7.6234 8.3391 8.3391 8.5449 8.5449 8.6662 8.6662 8.8428 8.8428 9.4385 9.4385 9.5383 9.5383 9.7770 9.7770 9.8206 9.8206 10.7456 10.7456 10.7664 10.7664 k =-0.1186 0.2721 1.0737 ( 9465 PWs) bands (ev): -68.8764 -68.8764 -68.8742 -68.8742 -38.6481 -38.6481 -38.6446 -38.6446 -37.4798 -37.4798 -37.4740 -37.4740 -37.4005 -37.4005 -37.3996 -37.3996 -18.5518 -18.5518 -5.3524 -5.3524 -3.5444 -3.5444 -3.2073 -3.2073 -0.8308 -0.8308 -0.7721 -0.7721 5.4361 5.4361 5.4904 5.4904 6.5195 6.5195 6.7219 6.7219 6.9637 6.9637 7.5896 7.5896 8.3568 8.3568 8.5464 8.5464 8.6796 8.6796 8.8724 8.8724 9.4417 9.4417 9.5355 9.5355 9.7964 9.7964 9.8474 9.8474 10.7623 10.7623 10.7757 10.7757 k =-0.1250 0.2870 1.0575 ( 9473 PWs) bands (ev): -68.8768 -68.8768 -68.8746 -68.8746 -38.6482 -38.6482 -38.6445 -38.6445 -37.4797 -37.4797 -37.4736 -37.4736 -37.4008 -37.4008 -37.3999 -37.3999 -18.5532 -18.5532 -5.3505 -5.3505 -3.5433 -3.5433 -3.2051 -3.2051 -0.8250 -0.8250 -0.7873 -0.7873 5.4646 5.4646 5.4883 5.4883 6.5396 6.5396 6.7378 6.7378 6.9562 6.9562 7.5571 7.5571 8.3725 8.3725 8.5468 8.5468 8.6926 8.6926 8.9013 8.9013 9.4411 9.4411 9.5278 9.5278 9.8127 9.8127 9.8759 9.8759 10.7730 10.7730 10.7901 10.7901 k =-0.1315 0.3018 1.0414 ( 9470 PWs) bands (ev): -68.8764 -68.8764 -68.8746 -68.8746 -38.6482 -38.6482 -38.6443 -38.6443 -37.4796 -37.4796 -37.4731 -37.4731 -37.4011 -37.4011 -37.4001 -37.4001 -18.5546 -18.5546 -5.3486 -5.3486 -3.5426 -3.5426 -3.2022 -3.2022 -0.8207 -0.8207 -0.8010 -0.8010 5.4683 5.4683 5.5097 5.5097 6.5595 6.5595 6.7545 6.7545 6.9511 6.9511 7.5273 7.5273 8.3911 8.3911 8.5505 8.5505 8.7054 8.7054 8.9325 8.9325 9.4402 9.4402 9.5213 9.5213 9.8298 9.8298 9.9091 9.9091 10.7813 10.7813 10.8111 10.8111 k =-0.1380 0.3167 1.0252 ( 9458 PWs) bands (ev): -68.8760 -68.8760 -68.8738 -68.8738 -38.6482 -38.6482 -38.6442 -38.6442 -37.4795 -37.4795 -37.4727 -37.4727 -37.4014 -37.4014 -37.4004 -37.4004 -18.5560 -18.5560 -5.3467 -5.3467 -3.5423 -3.5423 -3.1985 -3.1985 -0.8250 -0.8250 -0.8064 -0.8064 5.4602 5.4602 5.5410 5.5410 6.5788 6.5788 6.7717 6.7717 6.9489 6.9489 7.5004 7.5004 8.4115 8.4115 8.5546 8.5546 8.7238 8.7238 8.9636 8.9636 9.4379 9.4379 9.5154 9.5154 9.8476 9.8476 9.9465 9.9465 10.7941 10.7941 10.8328 10.8328 k =-0.1444 0.3315 1.0090 ( 9450 PWs) bands (ev): -68.8757 -68.8757 -68.8733 -68.8733 -38.6483 -38.6483 -38.6440 -38.6440 -37.4793 -37.4793 -37.4722 -37.4722 -37.4017 -37.4017 -37.4007 -37.4007 -18.5574 -18.5574 -5.3450 -5.3450 -3.5424 -3.5424 -3.1941 -3.1941 -0.8383 -0.8383 -0.8026 -0.8026 5.4496 5.4496 5.5729 5.5729 6.5972 6.5972 6.7894 6.7894 6.9493 6.9493 7.4756 7.4756 8.4342 8.4342 8.5604 8.5604 8.7393 8.7393 8.9948 8.9948 9.4330 9.4330 9.5076 9.5076 9.8631 9.8631 9.9871 9.9871 10.8020 10.8020 10.8573 10.8573 k =-0.1509 0.3463 0.9928 ( 9445 PWs) bands (ev): -68.8753 -68.8753 -68.8732 -68.8732 -38.6483 -38.6483 -38.6439 -38.6439 -37.4792 -37.4792 -37.4718 -37.4718 -37.4020 -37.4020 -37.4009 -37.4009 -18.5589 -18.5589 -5.3434 -5.3434 -3.5429 -3.5429 -3.1889 -3.1889 -0.8533 -0.8533 -0.7973 -0.7973 5.4374 5.4374 5.6037 5.6037 6.6142 6.6142 6.8074 6.8074 6.9525 6.9525 7.4532 7.4532 8.4579 8.4579 8.5666 8.5666 8.7581 8.7581 9.0249 9.0249 9.4248 9.4248 9.4975 9.4975 9.8766 9.8766 10.0297 10.0297 10.8069 10.8069 10.8845 10.8845 k =-0.1574 0.3612 0.9766 ( 9445 PWs) bands (ev): -68.8751 -68.8751 -68.8733 -68.8733 -38.6483 -38.6483 -38.6438 -38.6438 -37.4791 -37.4791 -37.4713 -37.4713 -37.4024 -37.4024 -37.4012 -37.4012 -18.5603 -18.5603 -5.3418 -5.3418 -3.5437 -3.5437 -3.1830 -3.1830 -0.8684 -0.8684 -0.7918 -0.7918 5.4240 5.4240 5.6327 5.6327 6.6297 6.6297 6.8256 6.8256 6.9581 6.9581 7.4335 7.4335 8.4807 8.4807 8.5724 8.5724 8.7772 8.7772 9.0556 9.0556 9.4153 9.4153 9.4853 9.4853 9.8892 9.8892 10.0743 10.0743 10.8090 10.8090 10.9121 10.9121 k =-0.1638 0.3760 0.9604 ( 9445 PWs) bands (ev): -68.8749 -68.8749 -68.8735 -68.8735 -38.6484 -38.6484 -38.6436 -38.6436 -37.4789 -37.4789 -37.4709 -37.4709 -37.4027 -37.4027 -37.4015 -37.4015 -18.5617 -18.5617 -5.3404 -5.3404 -3.5449 -3.5449 -3.1764 -3.1764 -0.8833 -0.8833 -0.7864 -0.7864 5.4100 5.4100 5.6603 5.6603 6.6441 6.6441 6.8443 6.8443 6.9663 6.9663 7.4154 7.4154 8.5043 8.5043 8.5787 8.5787 8.7947 8.7947 9.0834 9.0834 9.4048 9.4048 9.4734 9.4734 9.9024 9.9024 10.1221 10.1221 10.8102 10.8102 10.9434 10.9434 k =-0.1703 0.3908 0.9442 ( 9451 PWs) bands (ev): -68.8751 -68.8751 -68.8739 -68.8739 -38.6484 -38.6484 -38.6435 -38.6435 -37.4788 -37.4788 -37.4705 -37.4705 -37.4030 -37.4030 -37.4018 -37.4018 -18.5631 -18.5631 -5.3391 -5.3391 -3.5465 -3.5465 -3.1693 -3.1693 -0.8978 -0.8978 -0.7812 -0.7812 5.3953 5.3953 5.6858 5.6858 6.6568 6.6568 6.8633 6.8633 6.9765 6.9765 7.3989 7.3989 8.5273 8.5273 8.5868 8.5868 8.8135 8.8135 9.1103 9.1103 9.3906 9.3906 9.4593 9.4593 9.9129 9.9129 10.1720 10.1720 10.8066 10.8066 10.9755 10.9755 k =-0.1768 0.4057 0.9281 ( 9448 PWs) bands (ev): -68.8747 -68.8747 -68.8739 -68.8739 -38.6484 -38.6484 -38.6434 -38.6434 -37.4787 -37.4787 -37.4700 -37.4700 -37.4033 -37.4033 -37.4021 -37.4021 -18.5645 -18.5645 -5.3380 -5.3380 -3.5483 -3.5483 -3.1618 -3.1618 -0.9119 -0.9119 -0.7762 -0.7762 5.3800 5.3800 5.7090 5.7090 6.6685 6.6685 6.8829 6.8829 6.9887 6.9887 7.3853 7.3853 8.5520 8.5520 8.5964 8.5964 8.8334 8.8334 9.1370 9.1370 9.3789 9.3789 9.4459 9.4459 9.9245 9.9245 10.2279 10.2279 10.7997 10.7997 11.0079 11.0079 k =-0.1832 0.4205 0.9119 ( 9460 PWs) bands (ev): -68.8749 -68.8749 -68.8749 -68.8749 -38.6485 -38.6485 -38.6433 -38.6433 -37.4785 -37.4785 -37.4697 -37.4697 -37.4037 -37.4037 -37.4023 -37.4023 -18.5658 -18.5658 -5.3370 -5.3370 -3.5503 -3.5503 -3.1539 -3.1539 -0.9254 -0.9254 -0.7715 -0.7715 5.3644 5.3644 5.7298 5.7298 6.6786 6.6786 6.9022 6.9022 7.0018 7.0018 7.3726 7.3726 8.5745 8.5745 8.6068 8.6068 8.8493 8.8493 9.1620 9.1620 9.3638 9.3638 9.4299 9.4299 9.9339 9.9339 10.2843 10.2843 10.7870 10.7870 11.0396 11.0396 k =-0.1897 0.4354 0.8957 ( 9468 PWs) bands (ev): -68.8755 -68.8755 -68.8751 -68.8751 -38.6485 -38.6485 -38.6432 -38.6432 -37.4784 -37.4784 -37.4693 -37.4693 -37.4040 -37.4040 -37.4026 -37.4026 -18.5671 -18.5671 -5.3360 -5.3360 -3.5526 -3.5526 -3.1459 -3.1459 -0.9382 -0.9382 -0.7671 -0.7671 5.3486 5.3486 5.7485 5.7485 6.6883 6.6883 6.9223 6.9223 7.0160 7.0160 7.3615 7.3615 8.5953 8.5953 8.6169 8.6169 8.8702 8.8702 9.1829 9.1829 9.3491 9.3491 9.4130 9.4130 9.9425 9.9425 10.3456 10.3456 10.7727 10.7727 11.0749 11.0749 k =-0.1962 0.4502 0.8795 ( 9476 PWs) bands (ev): -68.8757 -68.8757 -68.8757 -68.8757 -38.6485 -38.6485 -38.6431 -38.6431 -37.4783 -37.4783 -37.4689 -37.4689 -37.4043 -37.4043 -37.4029 -37.4029 -18.5683 -18.5683 -5.3352 -5.3352 -3.5549 -3.5549 -3.1377 -3.1377 -0.9504 -0.9504 -0.7629 -0.7629 5.3329 5.3329 5.7649 5.7649 6.6968 6.6968 6.9427 6.9427 7.0306 7.0306 7.3515 7.3515 8.6113 8.6113 8.6357 8.6357 8.8883 8.8883 9.2042 9.2042 9.3337 9.3337 9.3943 9.3943 9.9513 9.9513 10.4112 10.4112 10.7536 10.7536 11.1101 11.1101 k =-0.2026 0.4650 0.8633 ( 9471 PWs) bands (ev): -68.8757 -68.8757 -68.8751 -68.8751 -38.6485 -38.6485 -38.6430 -38.6430 -37.4781 -37.4781 -37.4686 -37.4686 -37.4045 -37.4045 -37.4031 -37.4031 -18.5694 -18.5694 -5.3346 -5.3346 -3.5572 -3.5572 -3.1296 -3.1296 -0.9618 -0.9618 -0.7591 -0.7591 5.3176 5.3176 5.7792 5.7792 6.7047 6.7047 6.9639 6.9639 7.0462 7.0462 7.3427 7.3427 8.6256 8.6256 8.6598 8.6598 8.9077 8.9077 9.2232 9.2232 9.3214 9.3214 9.3782 9.3782 9.9636 9.9636 10.4822 10.4822 10.7325 10.7325 11.1459 11.1459 k =-0.2091 0.4799 0.8471 ( 9465 PWs) bands (ev): -68.8755 -68.8755 -68.8747 -68.8747 -38.6485 -38.6485 -38.6429 -38.6429 -37.4780 -37.4780 -37.4682 -37.4682 -37.4048 -37.4048 -37.4034 -37.4034 -18.5705 -18.5705 -5.3340 -5.3340 -3.5596 -3.5596 -3.1217 -3.1217 -0.9724 -0.9724 -0.7556 -0.7556 5.3028 5.3028 5.7915 5.7915 6.7117 6.7117 6.9854 6.9854 7.0622 7.0622 7.3347 7.3347 8.6382 8.6382 8.6853 8.6853 8.9264 8.9264 9.2389 9.2389 9.3094 9.3094 9.3629 9.3629 9.9763 9.9763 10.5564 10.5564 10.7096 10.7096 11.1824 11.1824 k =-0.2155 0.4947 0.8309 ( 9469 PWs) bands (ev): -68.8756 -68.8756 -68.8749 -68.8749 -38.6485 -38.6485 -38.6428 -38.6428 -37.4779 -37.4779 -37.4679 -37.4679 -37.4050 -37.4050 -37.4036 -37.4036 -18.5715 -18.5715 -5.3335 -5.3335 -3.5618 -3.5618 -3.1141 -3.1141 -0.9821 -0.9821 -0.7525 -0.7525 5.2887 5.2887 5.8016 5.8016 6.7188 6.7188 7.0057 7.0057 7.0772 7.0772 7.3255 7.3255 8.6486 8.6486 8.7100 8.7100 8.9444 8.9444 9.2479 9.2479 9.2983 9.2983 9.3462 9.3462 9.9917 9.9917 10.6307 10.6307 10.6847 10.6847 11.2147 11.2147 k =-0.2220 0.5095 0.8148 ( 9471 PWs) bands (ev): -68.8756 -68.8756 -68.8751 -68.8751 -38.6485 -38.6485 -38.6427 -38.6427 -37.4777 -37.4777 -37.4677 -37.4677 -37.4052 -37.4052 -37.4038 -37.4038 -18.5724 -18.5724 -5.3331 -5.3331 -3.5640 -3.5640 -3.1070 -3.1070 -0.9909 -0.9909 -0.7496 -0.7496 5.2755 5.2755 5.8102 5.8102 6.7252 6.7252 7.0259 7.0259 7.0922 7.0922 7.3161 7.3161 8.6600 8.6600 8.7353 8.7353 8.9598 8.9598 9.2489 9.2489 9.2911 9.2911 9.3315 9.3315 10.0069 10.0069 10.6545 10.6545 10.7114 10.7114 11.2487 11.2487 k =-0.2285 0.5244 0.7986 ( 9459 PWs) bands (ev): -68.8747 -68.8747 -68.8747 -68.8747 -38.6485 -38.6485 -38.6426 -38.6426 -37.4776 -37.4776 -37.4674 -37.4674 -37.4054 -37.4054 -37.4040 -37.4040 -18.5732 -18.5732 -5.3327 -5.3327 -3.5660 -3.5660 -3.1004 -3.1004 -0.9988 -0.9988 -0.7471 -0.7471 5.2634 5.2634 5.8173 5.8173 6.7311 6.7311 7.0455 7.0455 7.1073 7.1073 7.3075 7.3075 8.6723 8.6723 8.7596 8.7596 8.9782 8.9782 9.2439 9.2439 9.2882 9.2882 9.3257 9.3257 10.0259 10.0259 10.6295 10.6295 10.7895 10.7895 11.2832 11.2832 k =-0.2349 0.5392 0.7824 ( 9459 PWs) bands (ev): -68.8747 -68.8747 -68.8747 -68.8747 -38.6485 -38.6485 -38.6426 -38.6426 -37.4775 -37.4775 -37.4672 -37.4672 -37.4056 -37.4056 -37.4041 -37.4041 -18.5740 -18.5740 -5.3325 -5.3325 -3.5679 -3.5679 -3.0944 -3.0944 -1.0057 -1.0057 -0.7450 -0.7450 5.2525 5.2525 5.8230 5.8230 6.7355 6.7355 7.0639 7.0639 7.1220 7.1220 7.2978 7.2978 8.6830 8.6830 8.7833 8.7833 8.9907 8.9907 9.2321 9.2321 9.2778 9.2778 9.3256 9.3256 10.0422 10.0422 10.6025 10.6025 10.8665 10.8665 11.3173 11.3173 k =-0.2414 0.5541 0.7662 ( 9459 PWs) bands (ev): -68.8747 -68.8747 -68.8747 -68.8747 -38.6486 -38.6486 -38.6425 -38.6425 -37.4774 -37.4774 -37.4670 -37.4670 -37.4057 -37.4057 -37.4043 -37.4043 -18.5746 -18.5746 -5.3322 -5.3322 -3.5695 -3.5695 -3.0892 -3.0892 -1.0115 -1.0115 -0.7431 -0.7431 5.2430 5.2430 5.8275 5.8275 6.7396 6.7396 7.0799 7.0799 7.1365 7.1365 7.2873 7.2873 8.6921 8.6921 8.8025 8.8025 9.0058 9.0058 9.2202 9.2202 9.2637 9.2637 9.3302 9.3302 10.0616 10.0616 10.5762 10.5762 10.9398 10.9398 11.3302 11.3302 k =-0.2479 0.5689 0.7500 ( 9455 PWs) bands (ev): -68.8748 -68.8748 -68.8742 -68.8742 -38.6485 -38.6485 -38.6425 -38.6425 -37.4773 -37.4773 -37.4668 -37.4668 -37.4058 -37.4058 -37.4044 -37.4044 -18.5751 -18.5751 -5.3321 -5.3321 -3.5708 -3.5708 -3.0848 -3.0848 -1.0164 -1.0164 -0.7416 -0.7416 5.2351 5.2351 5.8310 5.8310 6.7427 6.7427 7.0936 7.0936 7.1516 7.1516 7.2765 7.2765 8.7016 8.7016 8.8193 8.8193 9.0200 9.0200 9.2086 9.2086 9.2515 9.2515 9.3351 9.3351 10.0801 10.0801 10.5524 10.5524 11.0072 11.0072 11.3067 11.3067 k =-0.2543 0.5837 0.7338 ( 9455 PWs) bands (ev): -68.8748 -68.8748 -68.8742 -68.8742 -38.6485 -38.6485 -38.6425 -38.6425 -37.4773 -37.4773 -37.4667 -37.4667 -37.4059 -37.4059 -37.4045 -37.4045 -18.5755 -18.5755 -5.3320 -5.3320 -3.5719 -3.5719 -3.0813 -3.0813 -1.0201 -1.0201 -0.7405 -0.7405 5.2288 5.2288 5.8334 5.8334 6.7451 6.7451 7.1039 7.1039 7.1663 7.1663 7.2652 7.2652 8.7088 8.7088 8.8331 8.8331 9.0327 9.0327 9.1959 9.1959 9.2394 9.2394 9.3405 9.3405 10.0973 10.0973 10.5303 10.5303 11.0639 11.0639 11.2850 11.2850 k =-0.2608 0.5986 0.7177 ( 9457 PWs) bands (ev): -68.8750 -68.8750 -68.8742 -68.8742 -38.6485 -38.6485 -38.6425 -38.6425 -37.4772 -37.4772 -37.4667 -37.4667 -37.4060 -37.4060 -37.4045 -37.4045 -18.5758 -18.5758 -5.3319 -5.3319 -3.5727 -3.5727 -3.0788 -3.0788 -1.0229 -1.0229 -0.7396 -0.7396 5.2242 5.2242 5.8351 5.8351 6.7468 6.7468 7.1110 7.1110 7.1803 7.1803 7.2533 7.2533 8.7132 8.7132 8.8442 8.8442 9.0431 9.0431 9.1844 9.1844 9.2307 9.2307 9.3447 9.3447 10.1109 10.1109 10.5130 10.5130 11.1048 11.1048 11.2693 11.2693 k =-0.2673 0.6134 0.7015 ( 9451 PWs) bands (ev): -68.8750 -68.8750 -68.8736 -68.8736 -38.6485 -38.6485 -38.6424 -38.6424 -37.4772 -37.4772 -37.4666 -37.4666 -37.4060 -37.4060 -37.4045 -37.4045 -18.5759 -18.5759 -5.3318 -5.3318 -3.5732 -3.5732 -3.0773 -3.0773 -1.0245 -1.0245 -0.7391 -0.7391 5.2214 5.2214 5.8362 5.8362 6.7483 6.7483 7.1157 7.1157 7.1923 7.1923 7.2439 7.2439 8.7157 8.7157 8.8511 8.8511 9.0523 9.0523 9.1778 9.1778 9.2266 9.2266 9.3467 9.3467 10.1216 10.1216 10.5028 10.5028 11.1319 11.1319 11.2594 11.2594 k =-0.2737 0.6282 0.6853 ( 9459 PWs) bands (ev): -68.8750 -68.8750 -68.8744 -68.8744 -38.6486 -38.6486 -38.6424 -38.6424 -37.4772 -37.4772 -37.4666 -37.4666 -37.4061 -37.4061 -37.4045 -37.4045 -18.5760 -18.5760 -5.3318 -5.3318 -3.5733 -3.5733 -3.0768 -3.0768 -1.0250 -1.0250 -0.7390 -0.7390 5.2205 5.2205 5.8365 5.8365 6.7483 6.7483 7.1171 7.1171 7.1971 7.1971 7.2383 7.2383 8.7162 8.7162 8.8519 8.8519 9.0540 9.0540 9.1732 9.1732 9.2233 9.2233 9.3474 9.3474 10.1239 10.1239 10.4991 10.4991 11.1399 11.1399 11.2554 11.2554 k =-0.2737 0.6282 0.6853 ( 9459 PWs) bands (ev): -68.8750 -68.8750 -68.8744 -68.8744 -38.6486 -38.6486 -38.6424 -38.6424 -37.4772 -37.4772 -37.4666 -37.4666 -37.4061 -37.4061 -37.4045 -37.4045 -18.5760 -18.5760 -5.3318 -5.3318 -3.5733 -3.5733 -3.0768 -3.0768 -1.0250 -1.0250 -0.7390 -0.7390 5.2205 5.2205 5.8365 5.8365 6.7483 6.7483 7.1171 7.1171 7.1971 7.1971 7.2383 7.2383 8.7162 8.7162 8.8519 8.8519 9.0540 9.0540 9.1732 9.1732 9.2233 9.2233 9.3474 9.3474 10.1239 10.1239 10.4991 10.4991 11.1399 11.1399 11.2554 11.2554 k =-0.2672 0.6133 0.6690 ( 9467 PWs) bands (ev): -68.8755 -68.8755 -68.8747 -68.8747 -38.6477 -38.6477 -38.6433 -38.6433 -37.4758 -37.4758 -37.4681 -37.4681 -37.4059 -37.4059 -37.4048 -37.4048 -18.5756 -18.5756 -5.3338 -5.3338 -3.5760 -3.5760 -3.0740 -3.0740 -1.0117 -1.0117 -0.7489 -0.7489 5.2098 5.2098 5.8482 5.8482 6.7269 6.7269 7.1057 7.1057 7.2020 7.2020 7.2524 7.2524 8.7525 8.7525 8.8687 8.8687 9.0118 9.0118 9.1565 9.1565 9.2058 9.2058 9.3378 9.3378 10.0861 10.0861 10.4963 10.4963 11.1526 11.1526 11.3255 11.3255 k =-0.2607 0.5983 0.6527 ( 9461 PWs) bands (ev): -68.8749 -68.8749 -68.8748 -68.8748 -38.6469 -38.6469 -38.6441 -38.6441 -37.4743 -37.4743 -37.4695 -37.4695 -37.4057 -37.4057 -37.4050 -37.4050 -18.5753 -18.5753 -5.3351 -5.3351 -3.5779 -3.5779 -3.0718 -3.0718 -0.9978 -0.9978 -0.7611 -0.7611 5.2034 5.2034 5.8623 5.8623 6.7007 6.7007 7.0942 7.0942 7.2080 7.2080 7.2680 7.2680 8.7934 8.7934 8.8834 8.8834 8.9734 8.9734 9.1436 9.1436 9.1966 9.1966 9.3332 9.3332 10.0482 10.0482 10.4980 10.4980 11.1670 11.1670 11.3832 11.3832 k =-0.2542 0.5834 0.6363 ( 9445 PWs) bands (ev): -68.8746 -68.8746 -68.8734 -68.8734 -38.6460 -38.6460 -38.6450 -38.6450 -37.4728 -37.4728 -37.4710 -37.4710 -37.4054 -37.4054 -37.4052 -37.4052 -18.5752 -18.5752 -5.3359 -5.3359 -3.5790 -3.5790 -3.0703 -3.0703 -0.9834 -0.9834 -0.7755 -0.7755 5.2015 5.2015 5.8789 5.8789 6.6712 6.6712 7.0828 7.0828 7.2127 7.2127 7.2834 7.2834 8.8319 8.8319 8.8952 8.8952 8.9429 8.9429 9.1346 9.1346 9.1970 9.1970 9.3327 9.3327 10.0139 10.0139 10.5021 10.5021 11.1810 11.1810 11.3591 11.3591 k =-0.2477 0.5684 0.6200 ( 9447 PWs) bands (ev): -68.8745 -68.8745 -68.8737 -68.8737 -38.6458 -38.6458 -38.6452 -38.6452 -37.4724 -37.4724 -37.4713 -37.4713 -37.4054 -37.4054 -37.4052 -37.4052 -18.5752 -18.5752 -5.3359 -5.3359 -3.5792 -3.5792 -3.0695 -3.0695 -0.9686 -0.9686 -0.7923 -0.7923 5.2037 5.2037 5.8976 5.8976 6.6371 6.6371 7.0714 7.0714 7.2158 7.2158 7.2983 7.2983 8.8636 8.8636 8.8860 8.8860 8.9353 8.9353 9.1204 9.1204 9.1976 9.1976 9.3309 9.3309 9.9804 9.9804 10.5080 10.5080 11.1921 11.1921 11.3188 11.3188 k =-0.2411 0.5535 0.6037 ( 9447 PWs) bands (ev): -68.8744 -68.8744 -68.8739 -68.8739 -38.6466 -38.6466 -38.6443 -38.6443 -37.4739 -37.4739 -37.4699 -37.4699 -37.4056 -37.4056 -37.4050 -37.4050 -18.5753 -18.5753 -5.3354 -5.3354 -3.5786 -3.5786 -3.0694 -3.0694 -0.9534 -0.9534 -0.8111 -0.8111 5.2101 5.2101 5.9188 5.9188 6.6000 6.6000 7.0598 7.0598 7.2178 7.2178 7.3132 7.3132 8.8409 8.8409 8.9019 8.9019 8.9544 8.9544 9.1103 9.1103 9.2007 9.2007 9.3330 9.3330 9.9504 9.9504 10.5151 10.5151 11.2037 11.2037 11.2774 11.2774 k =-0.2346 0.5385 0.5874 ( 9451 PWs) bands (ev): -68.8751 -68.8751 -68.8736 -68.8736 -38.6475 -38.6475 -38.6435 -38.6435 -37.4753 -37.4753 -37.4685 -37.4685 -37.4058 -37.4058 -37.4048 -37.4048 -18.5755 -18.5755 -5.3342 -5.3342 -3.5772 -3.5772 -3.0700 -3.0700 -0.9378 -0.9378 -0.8319 -0.8319 5.2206 5.2206 5.9422 5.9422 6.5595 6.5595 7.0486 7.0486 7.2179 7.2179 7.3276 7.3276 8.8002 8.8002 8.9249 8.9249 8.9826 8.9826 9.1016 9.1016 9.2097 9.2097 9.3357 9.3357 9.9220 9.9220 10.5241 10.5241 11.2120 11.2120 11.2363 11.2363 k =-0.2281 0.5235 0.5711 ( 9451 PWs) bands (ev): -68.8754 -68.8754 -68.8733 -68.8733 -38.6483 -38.6483 -38.6427 -38.6427 -37.4768 -37.4768 -37.4670 -37.4670 -37.4060 -37.4060 -37.4046 -37.4046 -18.5759 -18.5759 -5.3323 -5.3323 -3.5749 -3.5749 -3.0712 -3.0712 -0.9221 -0.9221 -0.8545 -0.8545 5.2349 5.2349 5.9680 5.9680 6.5166 6.5166 7.0382 7.0382 7.2167 7.2167 7.3423 7.3423 8.7604 8.7604 8.9426 8.9426 9.0167 9.0167 9.0959 9.0959 9.2222 9.2222 9.3405 9.3405 9.8971 9.8971 10.5355 10.5355 11.1891 11.1891 11.2268 11.2268 k =-0.2216 0.5086 0.5548 ( 9469 PWs) bands (ev): -68.8770 -68.8770 -68.8737 -68.8737 -38.6491 -38.6491 -38.6419 -38.6419 -37.4782 -37.4782 -37.4656 -37.4656 -37.4062 -37.4062 -37.4044 -37.4044 -18.5764 -18.5764 -5.3299 -5.3299 -3.5718 -3.5718 -3.0731 -3.0731 -0.9075 -0.9075 -0.8777 -0.8777 5.2525 5.2525 5.9960 5.9960 6.4706 6.4706 7.0276 7.0276 7.2135 7.2135 7.3553 7.3553 8.7182 8.7182 8.9536 8.9536 9.0478 9.0478 9.0945 9.0945 9.2359 9.2359 9.3457 9.3457 9.8707 9.8707 10.5477 10.5477 11.1457 11.1457 11.2348 11.2348 k =-0.2151 0.4936 0.5384 ( 9473 PWs) bands (ev): -68.8772 -68.8772 -68.8738 -68.8738 -38.6500 -38.6500 -38.6410 -38.6410 -37.4796 -37.4796 -37.4642 -37.4642 -37.4064 -37.4064 -37.4042 -37.4042 -18.5770 -18.5770 -5.3268 -5.3268 -3.5678 -3.5678 -3.0755 -3.0755 -0.9109 -0.9109 -0.8842 -0.8842 5.2735 5.2735 6.0263 6.0263 6.4242 6.4242 7.0183 7.0183 7.2092 7.2092 7.3681 7.3681 8.6810 8.6810 8.9658 8.9658 9.0678 9.0678 9.1086 9.1086 9.2527 9.2527 9.3542 9.3542 9.8518 9.8518 10.5632 10.5632 11.1017 11.1017 11.2440 11.2440 k =-0.2086 0.4787 0.5221 ( 9479 PWs) bands (ev): -68.8769 -68.8769 -68.8747 -68.8747 -38.6508 -38.6508 -38.6402 -38.6402 -37.4811 -37.4811 -37.4627 -37.4627 -37.4066 -37.4066 -37.4040 -37.4040 -18.5777 -18.5777 -5.3232 -5.3232 -3.5630 -3.5630 -3.0786 -3.0786 -0.9370 -0.9370 -0.8696 -0.8696 5.2972 5.2972 6.0587 6.0587 6.3771 6.3771 7.0098 7.0098 7.2026 7.2026 7.3814 7.3814 8.6449 8.6449 8.9762 8.9762 9.0743 9.0743 9.1390 9.1390 9.2701 9.2701 9.3623 9.3623 9.8362 9.8362 10.5815 10.5815 11.0583 11.0583 11.2520 11.2520 k =-0.2020 0.4637 0.5058 ( 9487 PWs) bands (ev): -68.8776 -68.8776 -68.8749 -68.8749 -38.6516 -38.6516 -38.6394 -38.6394 -37.4824 -37.4824 -37.4613 -37.4613 -37.4068 -37.4068 -37.4038 -37.4038 -18.5785 -18.5785 -5.3191 -5.3191 -3.5573 -3.5573 -3.0821 -3.0821 -0.9663 -0.9663 -0.8530 -0.8530 5.3231 5.3231 6.0931 6.0931 6.3300 6.3300 7.0011 7.0011 7.1956 7.1956 7.3940 7.3940 8.6046 8.6046 8.9861 8.9861 9.0767 9.0767 9.1756 9.1756 9.2901 9.2901 9.3734 9.3734 9.8232 9.8232 10.6006 10.6006 11.0167 11.0167 11.2608 11.2608 k =-0.1955 0.4487 0.4895 ( 9473 PWs) bands (ev): -68.8768 -68.8768 -68.8742 -68.8742 -38.6524 -38.6524 -38.6386 -38.6386 -37.4838 -37.4838 -37.4599 -37.4599 -37.4070 -37.4070 -37.4036 -37.4036 -18.5795 -18.5795 -5.3145 -5.3145 -3.5507 -3.5507 -3.0861 -3.0861 -0.9972 -0.9972 -0.8361 -0.8361 5.3506 5.3506 6.1292 6.1292 6.2847 6.2847 6.9948 6.9948 7.1875 7.1875 7.4071 7.4071 8.5734 8.5734 8.9978 8.9978 9.0826 9.0826 9.2164 9.2164 9.3122 9.3122 9.3881 9.3881 9.8150 9.8150 10.6250 10.6250 10.9788 10.9788 11.2708 11.2708 k =-0.1890 0.4338 0.4732 ( 9479 PWs) bands (ev): -68.8775 -68.8775 -68.8741 -68.8741 -38.6532 -38.6532 -38.6378 -38.6378 -37.4852 -37.4852 -37.4585 -37.4585 -37.4072 -37.4072 -37.4034 -37.4034 -18.5805 -18.5805 -5.3095 -5.3095 -3.5433 -3.5433 -3.0905 -3.0905 -1.0295 -1.0295 -0.8191 -0.8191 5.3784 5.3784 6.1647 6.1647 6.2437 6.2437 6.9878 6.9878 7.1779 7.1779 7.4182 7.4182 8.5359 8.5359 9.0061 9.0061 9.0868 9.0868 9.2533 9.2533 9.3326 9.3326 9.4031 9.4031 9.8094 9.8094 10.6500 10.6500 10.9392 10.9392 11.2804 11.2804 k =-0.1825 0.4188 0.4569 ( 9489 PWs) bands (ev): -68.8782 -68.8782 -68.8745 -68.8745 -38.6540 -38.6540 -38.6371 -38.6371 -37.4865 -37.4865 -37.4572 -37.4572 -37.4074 -37.4074 -37.4032 -37.4032 -18.5816 -18.5816 -5.3040 -5.3040 -3.5350 -3.5350 -3.0953 -3.0953 -1.0629 -1.0629 -0.8021 -0.8021 5.4053 5.4053 6.1797 6.1797 6.2284 6.2284 6.9806 6.9806 7.1678 7.1678 7.4290 7.4290 8.4971 8.4971 9.0135 9.0135 9.0924 9.0924 9.2895 9.2895 9.3528 9.3528 9.4186 9.4186 9.8075 9.8075 10.6760 10.6760 10.9001 10.9001 11.2905 11.2905 k =-0.1760 0.4039 0.4405 ( 9489 PWs) bands (ev): -68.8786 -68.8786 -68.8741 -68.8741 -38.6547 -38.6547 -38.6363 -38.6363 -37.4878 -37.4878 -37.4559 -37.4559 -37.4075 -37.4075 -37.4030 -37.4030 -18.5828 -18.5828 -5.2983 -5.2983 -3.5258 -3.5258 -3.1003 -3.1003 -1.0973 -1.0973 -0.7852 -0.7852 5.4299 5.4299 6.1536 6.1536 6.2612 6.2612 6.9749 6.9749 7.1570 7.1570 7.4400 7.4400 8.4617 8.4617 9.0208 9.0208 9.0991 9.0991 9.3279 9.3279 9.3741 9.3741 9.4371 9.4371 9.8093 9.8093 10.7057 10.7057 10.8653 10.8653 11.3013 11.3013 k =-0.1695 0.3889 0.4242 ( 9505 PWs) bands (ev): -68.8797 -68.8797 -68.8746 -68.8746 -38.6555 -38.6555 -38.6356 -38.6356 -37.4891 -37.4891 -37.4546 -37.4546 -37.4077 -37.4077 -37.4028 -37.4028 -18.5841 -18.5841 -5.2923 -5.2923 -3.5158 -3.5158 -3.1056 -3.1056 -1.1324 -1.1324 -0.7684 -0.7684 5.4499 5.4499 6.1259 6.1259 6.3040 6.3040 6.9688 6.9688 7.1448 7.1448 7.4500 7.4500 8.4249 8.4249 9.0249 9.0249 9.1048 9.1048 9.3637 9.3637 9.3908 9.3908 9.4533 9.4533 9.8134 9.8134 10.7363 10.7363 10.8306 10.8306 11.3122 11.3122 k =-0.1629 0.3740 0.4079 ( 9501 PWs) bands (ev): -68.8804 -68.8804 -68.8736 -68.8736 -38.6562 -38.6562 -38.6349 -38.6349 -37.4902 -37.4902 -37.4533 -37.4533 -37.4079 -37.4079 -37.4027 -37.4027 -18.5855 -18.5855 -5.2861 -5.2861 -3.5049 -3.5049 -3.1110 -3.1110 -1.1682 -1.1682 -0.7519 -0.7519 5.4636 5.4636 6.1063 6.1063 6.3497 6.3497 6.9644 6.9644 7.1352 7.1352 7.4598 7.4598 8.3902 8.3902 9.0300 9.0300 9.1115 9.1115 9.4001 9.4001 9.4138 9.4138 9.4738 9.4738 9.8224 9.8224 10.7704 10.7704 10.8015 10.8015 11.3274 11.3274 k =-0.1564 0.3590 0.3916 ( 9481 PWs) bands (ev): -68.8790 -68.8790 -68.8729 -68.8729 -38.6569 -38.6569 -38.6341 -38.6341 -37.4914 -37.4914 -37.4520 -37.4520 -37.4080 -37.4080 -37.4024 -37.4024 -18.5869 -18.5869 -5.2797 -5.2797 -3.4933 -3.4933 -3.1164 -3.1164 -1.2044 -1.2044 -0.7357 -0.7357 5.4688 5.4688 6.0977 6.0977 6.3971 6.3971 6.9612 6.9612 7.1230 7.1230 7.4694 7.4694 8.3634 8.3634 9.0371 9.0371 9.1222 9.1222 9.4348 9.4348 9.4435 9.4435 9.5006 9.5006 9.8365 9.8365 10.7736 10.7736 10.8086 10.8086 11.3415 11.3415 k =-0.1499 0.3440 0.3753 ( 9467 PWs) bands (ev): -68.8784 -68.8784 -68.8721 -68.8721 -38.6575 -38.6575 -38.6334 -38.6334 -37.4926 -37.4926 -37.4507 -37.4507 -37.4082 -37.4082 -37.4022 -37.4022 -18.5883 -18.5883 -5.2732 -5.2732 -3.4810 -3.4810 -3.1219 -3.1219 -1.2410 -1.2410 -0.7198 -0.7198 5.4644 5.4644 6.1015 6.1015 6.4457 6.4457 6.9582 6.9582 7.1114 7.1114 7.4782 7.4782 8.3368 8.3368 9.0419 9.0419 9.1333 9.1333 9.4604 9.4604 9.4768 9.4768 9.5257 9.5257 9.8519 9.8519 10.7471 10.7471 10.8467 10.8467 11.3565 11.3565 k =-0.1434 0.3291 0.3590 ( 9469 PWs) bands (ev): -68.8785 -68.8785 -68.8723 -68.8723 -38.6582 -38.6582 -38.6327 -38.6327 -37.4937 -37.4937 -37.4496 -37.4496 -37.4083 -37.4083 -37.4021 -37.4021 -18.5898 -18.5898 -5.2666 -5.2666 -3.4680 -3.4680 -3.1272 -3.1272 -1.2778 -1.2778 -0.7043 -0.7043 5.4502 5.4502 6.1166 6.1166 6.4950 6.4950 6.9551 6.9551 7.0995 7.0995 7.4861 7.4861 8.3069 8.3069 9.0425 9.0425 9.1436 9.1436 9.4810 9.4810 9.5091 9.5091 9.5486 9.5486 9.8688 9.8688 10.7202 10.7202 10.8864 10.8864 11.3713 11.3713 k =-0.1369 0.3141 0.3426 ( 9465 PWs) bands (ev): -68.8787 -68.8787 -68.8717 -68.8717 -38.6588 -38.6588 -38.6321 -38.6321 -37.4948 -37.4948 -37.4484 -37.4484 -37.4084 -37.4084 -37.4019 -37.4019 -18.5913 -18.5913 -5.2601 -5.2601 -3.4545 -3.4545 -3.1323 -3.1323 -1.3146 -1.3146 -0.6893 -0.6893 5.4277 5.4277 6.1426 6.1426 6.5446 6.5446 6.9528 6.9528 7.0896 7.0896 7.4935 7.4935 8.2772 8.2772 9.0414 9.0414 9.1542 9.1542 9.5024 9.5024 9.5411 9.5411 9.5745 9.5745 9.8883 9.8883 10.6985 10.6985 10.9280 10.9280 11.3876 11.3876 k =-0.1303 0.2992 0.3263 ( 9467 PWs) bands (ev): -68.8791 -68.8791 -68.8715 -68.8715 -38.6595 -38.6595 -38.6315 -38.6315 -37.4959 -37.4959 -37.4473 -37.4473 -37.4086 -37.4086 -37.4017 -37.4017 -18.5929 -18.5929 -5.2536 -5.2536 -3.4405 -3.4405 -3.1371 -3.1371 -1.3514 -1.3514 -0.6748 -0.6748 5.3985 5.3985 6.1772 6.1772 6.5936 6.5936 6.9509 6.9509 7.0800 7.0800 7.5001 7.5001 8.2475 8.2475 9.0381 9.0381 9.1637 9.1637 9.5226 9.5226 9.5711 9.5711 9.6023 9.6023 9.9097 9.9097 10.6772 10.6772 10.9707 10.9707 11.4027 11.4027 k =-0.1238 0.2842 0.3100 ( 9467 PWs) bands (ev): -68.8797 -68.8797 -68.8708 -68.8708 -38.6600 -38.6600 -38.6309 -38.6309 -37.4969 -37.4969 -37.4462 -37.4462 -37.4087 -37.4087 -37.4016 -37.4016 -18.5944 -18.5944 -5.2473 -5.2473 -3.4262 -3.4262 -3.1414 -3.1414 -1.3880 -1.3880 -0.6608 -0.6608 5.3647 5.3647 6.2186 6.2186 6.6414 6.6414 6.9499 6.9499 7.0727 7.0727 7.5064 7.5064 8.2196 8.2196 9.0329 9.0329 9.1748 9.1748 9.5423 9.5423 9.5999 9.5999 9.6292 9.6292 9.9305 9.9305 10.6603 10.6603 11.0148 11.0148 11.4184 11.4184 k =-0.1173 0.2692 0.2937 ( 9469 PWs) bands (ev): -68.8794 -68.8794 -68.8715 -68.8715 -38.6606 -38.6606 -38.6303 -38.6303 -37.4979 -37.4979 -37.4452 -37.4452 -37.4088 -37.4088 -37.4014 -37.4014 -18.5960 -18.5960 -5.2411 -5.2411 -3.4118 -3.4118 -3.1451 -3.1451 -1.4242 -1.4242 -0.6474 -0.6474 5.3279 5.3279 6.2645 6.2645 6.6862 6.6862 6.9499 6.9499 7.0679 7.0679 7.5115 7.5115 8.1969 8.1969 9.0282 9.0282 9.1865 9.1865 9.5606 9.5606 9.6261 9.6261 9.6570 9.6570 9.9533 9.9533 10.6367 10.6367 11.0595 11.0595 11.4337 11.4337 k =-0.1108 0.2543 0.2774 ( 9463 PWs) bands (ev): -68.8789 -68.8789 -68.8713 -68.8713 -38.6612 -38.6612 -38.6297 -38.6297 -37.4988 -37.4988 -37.4442 -37.4442 -37.4090 -37.4090 -37.4012 -37.4012 -18.5975 -18.5975 -5.2350 -5.2350 -3.3974 -3.3974 -3.1480 -3.1480 -1.4599 -1.4599 -0.6346 -0.6346 5.2896 5.2896 6.3139 6.3139 6.7272 6.7272 6.9498 6.9498 7.0683 7.0683 7.5171 7.5171 8.1717 8.1717 9.0219 9.0219 9.2015 9.2015 9.5816 9.5816 9.6546 9.6546 9.6861 9.6861 9.9761 9.9761 10.6215 10.6215 11.1033 11.1033 11.4500 11.4500 k =-0.1043 0.2393 0.2611 ( 9453 PWs) bands (ev): -68.8785 -68.8785 -68.8707 -68.8707 -38.6617 -38.6617 -38.6292 -38.6292 -37.4996 -37.4996 -37.4433 -37.4433 -37.4091 -37.4091 -37.4010 -37.4010 -18.5990 -18.5990 -5.2292 -5.2292 -3.3834 -3.3834 -3.1500 -3.1500 -1.4950 -1.4950 -0.6224 -0.6224 5.2510 5.2510 6.3655 6.3655 6.7613 6.7613 6.9521 6.9521 7.0748 7.0748 7.5225 7.5225 8.1488 8.1488 9.0198 9.0198 9.2124 9.2124 9.6000 9.6000 9.6826 9.6826 9.7144 9.7144 9.9978 9.9978 10.6113 10.6113 11.1496 11.1496 11.4632 11.4632 k =-0.0978 0.2244 0.2447 ( 9457 PWs) bands (ev): -68.8787 -68.8787 -68.8709 -68.8709 -38.6622 -38.6622 -38.6287 -38.6287 -37.5005 -37.5005 -37.4424 -37.4424 -37.4092 -37.4092 -37.4009 -37.4009 -18.6005 -18.6005 -5.2237 -5.2237 -3.3699 -3.3699 -3.1509 -3.1509 -1.5292 -1.5292 -0.6110 -0.6110 5.2120 5.2120 6.4174 6.4174 6.7866 6.7866 6.9544 6.9544 7.0893 7.0893 7.5267 7.5267 8.1260 8.1260 9.0110 9.0110 9.2224 9.2224 9.6186 9.6186 9.7073 9.7073 9.7405 9.7405 10.0190 10.0190 10.5984 10.5984 11.1955 11.1955 11.4679 11.4679 k =-0.0912 0.2094 0.2284 ( 9435 PWs) bands (ev): -68.8776 -68.8776 -68.8697 -68.8697 -38.6626 -38.6626 -38.6282 -38.6282 -37.5012 -37.5012 -37.4415 -37.4415 -37.4093 -37.4093 -37.4007 -37.4007 -18.6019 -18.6019 -5.2185 -5.2185 -3.3573 -3.3573 -3.1504 -3.1504 -1.5626 -1.5626 -0.6001 -0.6001 5.1737 5.1737 6.4709 6.4709 6.8055 6.8055 6.9573 6.9573 7.1142 7.1142 7.5308 7.5308 8.1057 8.1057 9.0027 9.0027 9.2376 9.2376 9.6436 9.6436 9.7337 9.7337 9.7697 9.7697 10.0422 10.0422 10.5905 10.5905 11.2420 11.2420 11.4317 11.4317 k =-0.0847 0.1945 0.2121 ( 9439 PWs) bands (ev): -68.8778 -68.8778 -68.8699 -68.8699 -38.6631 -38.6631 -38.6277 -38.6277 -37.5020 -37.5020 -37.4407 -37.4407 -37.4094 -37.4094 -37.4006 -37.4006 -18.6033 -18.6033 -5.2135 -5.2135 -3.3460 -3.3460 -3.1484 -3.1484 -1.5949 -1.5949 -0.5900 -0.5900 5.1365 5.1365 6.5210 6.5210 6.8161 6.8161 6.9583 6.9583 7.1461 7.1461 7.5347 7.5347 8.0863 8.0863 8.9930 8.9930 9.2447 9.2447 9.6629 9.6629 9.7565 9.7565 9.7937 9.7937 10.0597 10.0597 10.5819 10.5819 11.2843 11.2843 11.3843 11.3843 k =-0.0782 0.1795 0.1958 ( 9437 PWs) bands (ev): -68.8775 -68.8775 -68.8700 -68.8700 -38.6635 -38.6635 -38.6273 -38.6273 -37.5027 -37.5027 -37.4399 -37.4399 -37.4095 -37.4095 -37.4005 -37.4005 -18.6046 -18.6046 -5.2089 -5.2089 -3.3360 -3.3360 -3.1449 -3.1449 -1.6259 -1.6259 -0.5806 -0.5806 5.1010 5.1010 6.5707 6.5707 6.8212 6.8212 6.9592 6.9592 7.1836 7.1836 7.5384 7.5384 8.0661 8.0661 8.9846 8.9846 9.2492 9.2492 9.6837 9.6837 9.7796 9.7796 9.8200 9.8200 10.0780 10.0780 10.5734 10.5734 11.3133 11.3133 11.3590 11.3590 k =-0.0717 0.1645 0.1795 ( 9433 PWs) bands (ev): -68.8773 -68.8773 -68.8698 -68.8698 -38.6639 -38.6639 -38.6269 -38.6269 -37.5033 -37.5033 -37.4393 -37.4393 -37.4095 -37.4095 -37.4004 -37.4004 -18.6058 -18.6058 -5.2047 -5.2047 -3.3276 -3.3276 -3.1397 -3.1397 -1.6555 -1.6555 -0.5720 -0.5720 5.0675 5.0675 6.6171 6.6171 6.8246 6.8246 6.9594 6.9594 7.2242 7.2242 7.5420 7.5420 8.0491 8.0491 8.9764 8.9764 9.2547 9.2547 9.7076 9.7076 9.7995 9.7995 9.8420 9.8420 10.0917 10.0917 10.5678 10.5678 11.3003 11.3003 11.3814 11.3814 k =-0.0652 0.1496 0.1632 ( 9439 PWs) bands (ev): -68.8776 -68.8776 -68.8701 -68.8701 -38.6642 -38.6642 -38.6266 -38.6266 -37.5039 -37.5039 -37.4386 -37.4386 -37.4096 -37.4096 -37.4003 -37.4003 -18.6070 -18.6070 -5.2008 -5.2008 -3.3208 -3.3208 -3.1331 -3.1331 -1.6835 -1.6835 -0.5640 -0.5640 5.0359 5.0359 6.6589 6.6589 6.8274 6.8274 6.9570 6.9570 7.2652 7.2652 7.5455 7.5455 8.0328 8.0328 8.9673 8.9673 9.2581 9.2581 9.7293 9.7293 9.8168 9.8168 9.8618 9.8618 10.1023 10.1023 10.5642 10.5642 11.2821 11.2821 11.4106 11.4106 k =-0.0587 0.1346 0.1468 ( 9435 PWs) bands (ev): -68.8788 -68.8788 -68.8685 -68.8685 -38.6645 -38.6645 -38.6263 -38.6263 -37.5044 -37.5044 -37.4381 -37.4381 -37.4097 -37.4097 -37.4002 -37.4002 -18.6081 -18.6081 -5.1972 -5.1972 -3.3155 -3.3155 -3.1252 -3.1252 -1.7097 -1.7097 -0.5568 -0.5568 5.0068 5.0068 6.6966 6.6966 6.8349 6.8349 6.9577 6.9577 7.3058 7.3058 7.5493 7.5493 8.0162 8.0162 8.9575 8.9575 9.2610 9.2610 9.7495 9.7495 9.8313 9.8313 9.8766 9.8766 10.1087 10.1087 10.5658 10.5658 11.2751 11.2751 11.4381 11.4381 k =-0.0521 0.1197 0.1305 ( 9433 PWs) bands (ev): -68.8784 -68.8784 -68.8686 -68.8686 -38.6648 -38.6648 -38.6260 -38.6260 -37.5049 -37.5049 -37.4376 -37.4376 -37.4097 -37.4097 -37.4001 -37.4001 -18.6090 -18.6090 -5.1940 -5.1940 -3.3116 -3.3116 -3.1166 -3.1166 -1.7339 -1.7339 -0.5504 -0.5504 4.9803 4.9803 6.7242 6.7242 6.8421 6.8421 6.9583 6.9583 7.3435 7.3435 7.5536 7.5536 8.0046 8.0046 8.9507 8.9507 9.2626 9.2626 9.7728 9.7728 9.8464 9.8464 9.8941 9.8941 10.1143 10.1143 10.5633 10.5633 11.2762 11.2762 11.4536 11.4536 k =-0.0456 0.1047 0.1142 ( 9447 PWs) bands (ev): -68.8798 -68.8798 -68.8687 -68.8687 -38.6651 -38.6651 -38.6257 -38.6257 -37.5053 -37.5053 -37.4371 -37.4371 -37.4098 -37.4098 -37.4001 -37.4001 -18.6099 -18.6099 -5.1912 -5.1912 -3.3088 -3.3088 -3.1077 -3.1077 -1.7559 -1.7559 -0.5447 -0.5447 4.9565 4.9565 6.7424 6.7424 6.8547 6.8547 6.9596 6.9596 7.3775 7.3775 7.5581 7.5581 7.9923 7.9923 8.9413 8.9413 9.2616 9.2616 9.7925 9.7925 9.8536 9.8536 9.9021 9.9021 10.1142 10.1142 10.5616 10.5616 11.2877 11.2877 11.4586 11.4586 k =-0.0391 0.0897 0.0979 ( 9451 PWs) bands (ev): -68.8794 -68.8794 -68.8694 -68.8694 -38.6653 -38.6653 -38.6255 -38.6255 -37.5057 -37.5057 -37.4367 -37.4367 -37.4099 -37.4099 -37.4000 -37.4000 -18.6107 -18.6107 -5.1888 -5.1888 -3.3068 -3.3068 -3.0988 -3.0988 -1.7755 -1.7755 -0.5398 -0.5398 4.9357 4.9357 6.7517 6.7517 6.8696 6.8696 6.9610 6.9610 7.4073 7.4073 7.5642 7.5642 7.9832 7.9832 8.9351 8.9351 9.2605 9.2605 9.8158 9.8158 9.8650 9.8650 9.9147 9.9147 10.1147 10.1147 10.5574 10.5574 11.3069 11.3069 11.4572 11.4572 k =-0.0326 0.0748 0.0816 ( 9443 PWs) bands (ev): -68.8791 -68.8791 -68.8689 -68.8689 -38.6655 -38.6655 -38.6253 -38.6253 -37.5060 -37.5060 -37.4364 -37.4364 -37.4099 -37.4099 -37.3999 -37.3999 -18.6114 -18.6114 -5.1868 -5.1868 -3.3056 -3.3056 -3.0905 -3.0905 -1.7926 -1.7926 -0.5356 -0.5356 4.9180 4.9180 6.7574 6.7574 6.8868 6.8868 6.9651 6.9651 7.4319 7.4319 7.5714 7.5714 7.9748 7.9748 8.9311 8.9311 9.2593 9.2593 9.8372 9.8372 9.8751 9.8751 9.9256 9.9256 10.1141 10.1141 10.5583 10.5583 11.3366 11.3366 11.4552 11.4552 k =-0.0261 0.0598 0.0653 ( 9437 PWs) bands (ev): -68.8791 -68.8791 -68.8681 -68.8681 -38.6656 -38.6656 -38.6252 -38.6252 -37.5062 -37.5062 -37.4361 -37.4361 -37.4099 -37.4099 -37.3999 -37.3999 -18.6119 -18.6119 -5.1851 -5.1851 -3.3048 -3.3048 -3.0831 -3.0831 -1.8068 -1.8068 -0.5321 -0.5321 4.9033 4.9033 6.7605 6.7605 6.9014 6.9014 6.9698 6.9698 7.4505 7.4505 7.5793 7.5793 7.9678 7.9678 8.9267 8.9267 9.2594 9.2594 9.8528 9.8528 9.8837 9.8837 9.9341 9.9341 10.1125 10.1125 10.5627 10.5627 11.3694 11.3694 11.4571 11.4571 k =-0.0196 0.0449 0.0489 ( 9431 PWs) bands (ev): -68.8792 -68.8792 -68.8675 -68.8675 -38.6657 -38.6657 -38.6250 -38.6250 -37.5064 -37.5064 -37.4359 -37.4359 -37.4099 -37.4099 -37.3999 -37.3999 -18.6124 -18.6124 -5.1838 -5.1838 -3.3043 -3.3043 -3.0770 -3.0770 -1.8181 -1.8181 -0.5294 -0.5294 4.8918 4.8918 6.7623 6.7623 6.9121 6.9121 6.9754 6.9754 7.4638 7.4638 7.5872 7.5872 7.9638 7.9638 8.9228 8.9228 9.2595 9.2595 9.8652 9.8652 9.8907 9.8907 9.9397 9.9397 10.1100 10.1100 10.5667 10.5667 11.3946 11.3946 11.4744 11.4744 k =-0.0130 0.0299 0.0326 ( 9431 PWs) bands (ev): -68.8792 -68.8792 -68.8674 -68.8674 -38.6658 -38.6658 -38.6249 -38.6249 -37.5066 -37.5066 -37.4357 -37.4357 -37.4099 -37.4099 -37.3998 -37.3998 -18.6127 -18.6127 -5.1828 -5.1828 -3.3040 -3.3040 -3.0725 -3.0725 -1.8262 -1.8262 -0.5275 -0.5275 4.8835 4.8835 6.7624 6.7624 6.9184 6.9184 6.9808 6.9808 7.4723 7.4723 7.5939 7.5939 7.9577 7.9577 8.9211 8.9211 9.2587 9.2587 9.8719 9.8719 9.8974 9.8974 9.9463 9.9463 10.1098 10.1098 10.5663 10.5663 11.4031 11.4031 11.5144 11.5144 k =-0.0065 0.0150 0.0163 ( 9441 PWs) bands (ev): -68.8806 -68.8806 -68.8669 -68.8669 -38.6658 -38.6658 -38.6249 -38.6249 -37.5066 -37.5066 -37.4357 -37.4357 -37.4100 -37.4100 -37.3999 -37.3999 -18.6129 -18.6129 -5.1823 -5.1823 -3.3039 -3.3039 -3.0697 -3.0697 -1.8312 -1.8312 -0.5263 -0.5263 4.8783 4.8783 6.7638 6.7638 6.9213 6.9213 6.9834 6.9834 7.4762 7.4762 7.5976 7.5976 7.9523 7.9523 8.9177 8.9177 9.2618 9.2618 9.8698 9.8698 9.8965 9.8965 9.9459 9.9459 10.1078 10.1078 10.5698 10.5698 11.4048 11.4048 11.5660 11.5660 k = 0.0000 0.0000 0.0000 ( 9453 PWs) bands (ev): -68.8814 -68.8814 -68.8673 -68.8673 -38.6659 -38.6659 -38.6249 -38.6249 -37.5067 -37.5067 -37.4357 -37.4357 -37.4100 -37.4100 -37.3999 -37.3999 -18.6129 -18.6129 -5.1821 -5.1821 -3.3038 -3.3038 -3.0687 -3.0687 -1.8329 -1.8329 -0.5259 -0.5259 4.8766 4.8766 6.7635 6.7635 6.9216 6.9216 6.9839 6.9839 7.4775 7.4775 7.5988 7.5988 7.9474 7.9474 8.9164 8.9164 9.2616 9.2616 9.8690 9.8690 9.8957 9.8957 9.9452 9.9452 10.1068 10.1068 10.5672 10.5672 11.4045 11.4045 11.6052 11.6052 k = 0.0000 0.0000 0.0000 ( 9453 PWs) bands (ev): -68.8814 -68.8814 -68.8673 -68.8673 -38.6659 -38.6659 -38.6249 -38.6249 -37.5067 -37.5067 -37.4357 -37.4357 -37.4100 -37.4100 -37.3999 -37.3999 -18.6129 -18.6129 -5.1821 -5.1821 -3.3038 -3.3038 -3.0687 -3.0687 -1.8329 -1.8329 -0.5259 -0.5259 4.8766 4.8766 6.7635 6.7635 6.9216 6.9216 6.9839 6.9839 7.4775 7.4775 7.5988 7.5988 7.9474 7.9474 8.9164 8.9164 9.2616 9.2616 9.8690 9.8690 9.8957 9.8957 9.9452 9.9452 10.1068 10.1068 10.5672 10.5672 11.4045 11.4045 11.6052 11.6052 k = 0.0208 0.0091 0.0000 ( 9449 PWs) bands (ev): -68.8794 -68.8794 -68.8690 -68.8690 -38.6659 -38.6659 -38.6249 -38.6249 -37.5067 -37.5067 -37.4356 -37.4356 -37.4100 -37.4100 -37.3998 -37.3998 -18.6129 -18.6129 -5.1821 -5.1821 -3.3042 -3.3042 -3.0687 -3.0687 -1.8313 -1.8313 -0.5274 -0.5274 4.8795 4.8795 6.7612 6.7612 6.9187 6.9187 6.9808 6.9808 7.4793 7.4793 7.6008 7.6008 7.9523 7.9523 8.9193 8.9193 9.2547 9.2547 9.8784 9.8784 9.9032 9.9032 9.9510 9.9510 10.1106 10.1106 10.5569 10.5569 11.3764 11.3764 11.6070 11.6070 k = 0.0417 0.0182 0.0000 ( 9421 PWs) bands (ev): -68.8798 -68.8798 -68.8657 -68.8657 -38.6658 -38.6658 -38.6249 -38.6249 -37.5066 -37.5066 -37.4356 -37.4356 -37.4099 -37.4099 -37.3998 -37.3998 -18.6129 -18.6129 -5.1823 -5.1823 -3.3054 -3.3054 -3.0687 -3.0687 -1.8267 -1.8267 -0.5317 -0.5317 4.8865 4.8865 6.7596 6.7596 6.9210 6.9210 6.9847 6.9847 7.4813 7.4813 7.6032 7.6032 7.9523 7.9523 8.9145 8.9145 9.2495 9.2495 9.8798 9.8798 9.9050 9.9050 9.9546 9.9546 10.1187 10.1187 10.5734 10.5734 11.3132 11.3132 11.6143 11.6143 k = 0.0625 0.0272 0.0000 ( 9413 PWs) bands (ev): -68.8786 -68.8786 -68.8661 -68.8661 -38.6658 -38.6658 -38.6249 -38.6249 -37.5066 -37.5066 -37.4356 -37.4356 -37.4100 -37.4100 -37.3998 -37.3998 -18.6129 -18.6129 -5.1825 -5.1825 -3.3073 -3.3073 -3.0687 -3.0687 -1.8190 -1.8190 -0.5390 -0.5390 4.8989 4.8989 6.7522 6.7522 6.9160 6.9160 6.9808 6.9808 7.4852 7.4852 7.6078 7.6078 7.9570 7.9570 8.9147 8.9147 9.2326 9.2326 9.8868 9.8868 9.9120 9.9120 9.9633 9.9633 10.1332 10.1332 10.5732 10.5732 11.2302 11.2302 11.6134 11.6134 k = 0.0833 0.0363 0.0000 ( 9421 PWs) bands (ev): -68.8794 -68.8794 -68.8662 -68.8662 -38.6658 -38.6658 -38.6249 -38.6249 -37.5066 -37.5066 -37.4356 -37.4356 -37.4100 -37.4100 -37.3998 -37.3998 -18.6129 -18.6129 -5.1829 -5.1829 -3.3099 -3.3099 -3.0687 -3.0687 -1.8084 -1.8084 -0.5491 -0.5491 4.9157 4.9157 6.7418 6.7418 6.9098 6.9098 6.9759 6.9759 7.4891 7.4891 7.6126 7.6126 7.9567 7.9567 8.9116 8.9116 9.2157 9.2157 9.8867 9.8867 9.9130 9.9130 9.9679 9.9679 10.1522 10.1522 10.5729 10.5729 11.1372 11.1372 11.6109 11.6109 k = 0.1042 0.0454 0.0000 ( 9433 PWs) bands (ev): -68.8799 -68.8799 -68.8670 -68.8670 -38.6659 -38.6659 -38.6249 -38.6249 -37.5066 -37.5066 -37.4356 -37.4356 -37.4100 -37.4100 -37.3999 -37.3999 -18.6129 -18.6129 -5.1833 -5.1833 -3.3131 -3.3131 -3.0687 -3.0687 -1.7949 -1.7949 -0.5620 -0.5620 4.9372 4.9372 6.7267 6.7267 6.9012 6.9012 6.9690 6.9690 7.4945 7.4945 7.6191 7.6191 7.9567 7.9567 8.9078 8.9078 9.1945 9.1945 9.8904 9.8904 9.9169 9.9169 9.9739 9.9739 10.1770 10.1770 10.5698 10.5698 11.0368 11.0368 11.6058 11.6058 k = 0.1250 0.0545 0.0000 ( 9424 PWs) bands (ev): -68.8790 -68.8790 -68.8670 -68.8670 -38.6659 -38.6659 -38.6249 -38.6249 -37.5066 -37.5066 -37.4356 -37.4356 -37.4100 -37.4100 -37.3998 -37.3998 -18.6129 -18.6129 -5.1838 -5.1838 -3.3169 -3.3169 -3.0687 -3.0687 -1.7785 -1.7785 -0.5776 -0.5776 4.9644 4.9644 6.7104 6.7104 6.8927 6.8927 6.9620 6.9620 7.5014 7.5014 7.6272 7.6272 7.9568 7.9568 8.9118 8.9118 9.1723 9.1723 9.8992 9.8992 9.9242 9.9242 9.9813 9.9813 10.2069 10.2069 10.5695 10.5695 10.9335 10.9335 11.6011 11.6011 k = 0.1458 0.0635 0.0000 ( 9424 PWs) bands (ev): -68.8790 -68.8790 -68.8670 -68.8670 -38.6659 -38.6659 -38.6249 -38.6249 -37.5066 -37.5066 -37.4356 -37.4356 -37.4100 -37.4100 -37.3998 -37.3998 -18.6129 -18.6129 -5.1843 -5.1843 -3.3212 -3.3212 -3.0686 -3.0686 -1.7595 -1.7595 -0.5957 -0.5957 4.9952 4.9952 6.6911 6.6911 6.8835 6.8835 6.9543 6.9543 7.5085 7.5085 7.6358 7.6358 7.9570 7.9570 8.9104 8.9104 9.1486 9.1486 9.9058 9.9058 9.9298 9.9298 9.9872 9.9872 10.2411 10.2411 10.5690 10.5690 10.8276 10.8276 11.5956 11.5956 k = 0.1667 0.0726 0.0000 ( 9424 PWs) bands (ev): -68.8798 -68.8798 -68.8662 -68.8662 -38.6658 -38.6658 -38.6249 -38.6249 -37.5066 -37.5066 -37.4356 -37.4356 -37.4099 -37.4099 -37.3998 -37.3998 -18.6129 -18.6129 -5.1849 -5.1849 -3.3258 -3.3258 -3.0686 -3.0686 -1.7380 -1.7380 -0.6163 -0.6163 5.0301 5.0301 6.6696 6.6696 6.8756 6.8756 6.9479 6.9479 7.5156 7.5156 7.6444 7.6444 7.9550 7.9550 8.9088 8.9088 9.1243 9.1243 9.9092 9.9092 9.9326 9.9326 9.9904 9.9904 10.2786 10.2786 10.5699 10.5699 10.7214 10.7214 11.5922 11.5922 k = 0.1875 0.0817 0.0000 ( 9428 PWs) bands (ev): -68.8810 -68.8810 -68.8653 -68.8653 -38.6658 -38.6658 -38.6249 -38.6249 -37.5066 -37.5066 -37.4356 -37.4356 -37.4099 -37.4099 -37.3999 -37.3999 -18.6129 -18.6129 -5.1856 -5.1856 -3.3308 -3.3308 -3.0686 -3.0686 -1.7141 -1.7141 -0.6393 -0.6393 5.0683 5.0683 6.6445 6.6445 6.8673 6.8673 6.9407 6.9407 7.5230 7.5230 7.6534 7.6534 7.9539 7.9539 8.9021 8.9021 9.0997 9.0997 9.9128 9.9128 9.9359 9.9359 9.9940 9.9940 10.3187 10.3187 10.5702 10.5702 10.6185 10.6185 11.5875 11.5875 k = 0.2083 0.0908 0.0000 ( 9428 PWs) bands (ev): -68.8810 -68.8810 -68.8653 -68.8653 -38.6658 -38.6658 -38.6249 -38.6249 -37.5066 -37.5066 -37.4356 -37.4356 -37.4099 -37.4099 -37.3999 -37.3999 -18.6129 -18.6129 -5.1863 -5.1863 -3.3359 -3.3359 -3.0686 -3.0686 -1.6880 -1.6880 -0.6646 -0.6646 5.1108 5.1108 6.6166 6.6166 6.8575 6.8575 6.9318 6.9318 7.5313 7.5313 7.6633 7.6633 7.9541 7.9541 8.9000 8.9000 9.0754 9.0754 9.9216 9.9216 9.9419 9.9419 9.9998 9.9998 10.3605 10.3605 10.5027 10.5027 10.5800 10.5800 11.5797 11.5797 k = 0.2292 0.0998 0.0000 ( 9420 PWs) bands (ev): -68.8806 -68.8806 -68.8649 -68.8649 -38.6658 -38.6658 -38.6249 -38.6249 -37.5066 -37.5066 -37.4356 -37.4356 -37.4099 -37.4099 -37.3999 -37.3999 -18.6129 -18.6129 -5.1870 -5.1870 -3.3412 -3.3412 -3.0686 -3.0686 -1.6597 -1.6597 -0.6919 -0.6919 5.1567 5.1567 6.5867 6.5867 6.8488 6.8488 6.9237 6.9237 7.5399 7.5399 7.6736 7.6736 7.9534 7.9534 8.8978 8.8978 9.0516 9.0516 9.9331 9.9331 9.9500 9.9500 10.0086 10.0086 10.4021 10.4021 10.4032 10.4032 10.5778 10.5778 11.5728 11.5728 k = 0.2500 0.1089 0.0000 ( 9416 PWs) bands (ev): -68.8811 -68.8811 -68.8640 -68.8640 -38.6658 -38.6658 -38.6249 -38.6249 -37.5066 -37.5066 -37.4356 -37.4356 -37.4099 -37.4099 -37.3999 -37.3999 -18.6129 -18.6129 -5.1878 -5.1878 -3.3464 -3.3464 -3.0685 -3.0685 -1.6296 -1.6296 -0.7212 -0.7212 5.2053 5.2053 6.5540 6.5540 6.8412 6.8412 6.9166 6.9166 7.5485 7.5485 7.6839 7.6839 7.9511 7.9511 8.8924 8.8924 9.0296 9.0296 9.9448 9.9448 9.9532 9.9532 10.0158 10.0158 10.3022 10.3022 10.4463 10.4463 10.5777 10.5777 11.5671 11.5671 k = 0.2708 0.1180 0.0000 ( 9408 PWs) bands (ev): -68.8811 -68.8811 -68.8632 -68.8632 -38.6658 -38.6658 -38.6249 -38.6249 -37.5066 -37.5066 -37.4356 -37.4356 -37.4098 -37.4098 -37.3999 -37.3999 -18.6128 -18.6128 -5.1885 -5.1885 -3.3516 -3.3516 -3.0685 -3.0685 -1.5977 -1.5977 -0.7522 -0.7522 5.2567 5.2567 6.5187 6.5187 6.8326 6.8326 6.9083 6.9083 7.5565 7.5565 7.6935 7.6935 7.9512 7.9512 8.8894 8.8894 9.0142 9.0142 9.9542 9.9542 9.9571 9.9571 10.0240 10.0240 10.2076 10.2076 10.4920 10.4920 10.5773 10.5773 11.5584 11.5584 k = 0.2917 0.1271 0.0000 ( 9420 PWs) bands (ev): -68.8807 -68.8807 -68.8648 -68.8648 -38.6658 -38.6658 -38.6249 -38.6249 -37.5066 -37.5066 -37.4356 -37.4356 -37.4099 -37.4099 -37.3999 -37.3999 -18.6128 -18.6128 -5.1893 -5.1893 -3.3566 -3.3566 -3.0685 -3.0685 -1.5641 -1.5641 -0.7850 -0.7850 5.3102 5.3102 6.4806 6.4806 6.8213 6.8213 6.8967 6.8967 7.5645 7.5645 7.7030 7.7030 7.9514 7.9514 8.8866 8.8866 8.9937 8.9937 9.9610 9.9610 9.9650 9.9650 10.0343 10.0343 10.1190 10.1190 10.5334 10.5334 10.5705 10.5705 11.5437 11.5437 k = 0.3125 0.1362 0.0000 ( 9440 PWs) bands (ev): -68.8807 -68.8807 -68.8668 -68.8668 -38.6659 -38.6659 -38.6249 -38.6249 -37.5066 -37.5066 -37.4356 -37.4356 -37.4100 -37.4100 -37.3999 -37.3999 -18.6128 -18.6128 -5.1900 -5.1900 -3.3613 -3.3613 -3.0685 -3.0685 -1.5292 -1.5292 -0.8192 -0.8192 5.3654 5.3654 6.4412 6.4412 6.8104 6.8104 6.8855 6.8855 7.5717 7.5717 7.7117 7.7117 7.9515 7.9515 8.8826 8.8826 8.9679 8.9679 9.9635 9.9635 9.9711 9.9711 10.0393 10.0393 10.0434 10.0434 10.5683 10.5683 10.5697 10.5697 11.5287 11.5287 k = 0.3333 0.1452 0.0000 ( 9440 PWs) bands (ev): -68.8807 -68.8807 -68.8668 -68.8668 -38.6659 -38.6659 -38.6249 -38.6249 -37.5066 -37.5066 -37.4356 -37.4356 -37.4100 -37.4100 -37.3999 -37.3999 -18.6128 -18.6128 -5.1906 -5.1906 -3.3657 -3.3657 -3.0685 -3.0685 -1.4930 -1.4930 -0.8548 -0.8548 5.4218 5.4218 6.4005 6.4005 6.8033 6.8033 6.8782 6.8782 7.5784 7.5784 7.7198 7.7198 7.9516 7.9516 8.8784 8.8784 8.9507 8.9507 9.9470 9.9470 9.9656 9.9656 9.9968 9.9968 10.0527 10.0527 10.5694 10.5694 10.6053 10.6053 11.5195 11.5195 k = 0.3542 0.1543 0.0000 ( 9432 PWs) bands (ev): -68.8806 -68.8806 -68.8660 -68.8660 -38.6658 -38.6658 -38.6249 -38.6249 -37.5066 -37.5066 -37.4356 -37.4356 -37.4099 -37.4099 -37.3999 -37.3999 -18.6128 -18.6128 -5.1913 -5.1913 -3.3698 -3.3698 -3.0684 -3.0684 -1.4556 -1.4556 -0.8915 -0.8915 5.4788 5.4788 6.3584 6.3584 6.7986 6.7986 6.8734 6.8734 7.5845 7.5845 7.7272 7.7272 7.9518 7.9518 8.8740 8.8740 8.9363 8.9363 9.8848 9.8848 9.9673 9.9673 9.9997 9.9997 10.0618 10.0618 10.5705 10.5705 10.6402 10.6402 11.5138 11.5138 k = 0.3750 0.1634 0.0000 ( 9424 PWs) bands (ev): -68.8806 -68.8806 -68.8652 -68.8652 -38.6658 -38.6658 -38.6249 -38.6249 -37.5066 -37.5066 -37.4356 -37.4356 -37.4099 -37.4099 -37.3999 -37.3999 -18.6128 -18.6128 -5.1918 -5.1918 -3.3734 -3.3734 -3.0684 -3.0684 -1.4174 -1.4174 -0.9293 -0.9293 5.5356 5.5356 6.3152 6.3152 6.7941 6.7941 6.8689 6.8689 7.5902 7.5902 7.7339 7.7339 7.9550 7.9550 8.8690 8.8690 8.9254 8.9254 9.8248 9.8248 9.9640 9.9640 10.0082 10.0082 10.0712 10.0712 10.5706 10.5706 10.6730 10.6730 11.5079 11.5079 k = 0.3958 0.1725 0.0000 ( 9416 PWs) bands (ev): -68.8802 -68.8802 -68.8649 -68.8649 -38.6658 -38.6658 -38.6249 -38.6249 -37.5066 -37.5066 -37.4356 -37.4356 -37.4099 -37.4099 -37.3998 -37.3998 -18.6128 -18.6128 -5.1923 -5.1923 -3.3766 -3.3766 -3.0684 -3.0684 -1.3783 -1.3783 -0.9678 -0.9678 5.5925 5.5925 6.2733 6.2733 6.7894 6.7894 6.8640 6.8640 7.5949 7.5949 7.7395 7.7395 7.9549 7.9549 8.8667 8.8667 8.9137 8.9137 9.7781 9.7781 9.9649 9.9649 10.0148 10.0148 10.0787 10.0787 10.5708 10.5708 10.6997 10.6997 11.5009 11.5009 k = 0.4167 0.1815 0.0000 ( 9436 PWs) bands (ev): -68.8818 -68.8818 -68.8653 -68.8653 -38.6658 -38.6658 -38.6249 -38.6249 -37.5066 -37.5066 -37.4357 -37.4357 -37.4099 -37.4099 -37.3999 -37.3999 -18.6128 -18.6128 -5.1927 -5.1927 -3.3792 -3.3792 -3.0684 -3.0684 -1.3388 -1.3388 -1.0071 -1.0071 5.6450 5.6450 6.2287 6.2287 6.7852 6.7852 6.8596 6.8596 7.5977 7.5977 7.7431 7.7431 7.9547 7.9547 8.8605 8.8605 8.9032 8.9032 9.7316 9.7316 9.9608 9.9608 10.0144 10.0144 10.0792 10.0792 10.5707 10.5707 10.7218 10.7218 11.4943 11.4943 k = 0.4375 0.1906 0.0000 ( 9436 PWs) bands (ev): -68.8818 -68.8818 -68.8653 -68.8653 -38.6658 -38.6658 -38.6249 -38.6249 -37.5066 -37.5066 -37.4357 -37.4357 -37.4099 -37.4099 -37.3999 -37.3999 -18.6128 -18.6128 -5.1931 -5.1931 -3.3813 -3.3813 -3.0684 -3.0684 -1.2990 -1.2990 -1.0466 -1.0466 5.6943 5.6943 6.1880 6.1880 6.7820 6.7820 6.8562 6.8562 7.6008 7.6008 7.7468 7.7468 7.9548 7.9548 8.8570 8.8570 8.8956 8.8956 9.6985 9.6985 9.9613 9.9613 10.0194 10.0194 10.0847 10.0847 10.5706 10.5706 10.7399 10.7399 11.4892 11.4892 k = 0.4583 0.1997 0.0000 ( 9440 PWs) bands (ev): -68.8826 -68.8826 -68.8649 -68.8649 -38.6658 -38.6658 -38.6249 -38.6249 -37.5066 -37.5066 -37.4357 -37.4357 -37.4099 -37.4099 -37.3999 -37.3999 -18.6128 -18.6128 -5.1933 -5.1933 -3.3828 -3.3828 -3.0684 -3.0684 -1.2596 -1.2596 -1.0859 -1.0859 5.7362 5.7362 6.1533 6.1533 6.7814 6.7814 6.8556 6.8556 7.6023 7.6023 7.7486 7.7486 7.9513 7.9513 8.8543 8.8543 8.8874 8.8874 9.6773 9.6773 9.9576 9.9576 10.0188 10.0188 10.0845 10.0845 10.5734 10.5734 10.7506 10.7506 11.4885 11.4885 k = 0.4792 0.2088 0.0000 ( 9444 PWs) bands (ev): -68.8831 -68.8831 -68.8650 -68.8650 -38.6658 -38.6658 -38.6249 -38.6249 -37.5066 -37.5066 -37.4357 -37.4357 -37.4099 -37.4099 -37.3999 -37.3999 -18.6128 -18.6128 -5.1935 -5.1935 -3.3837 -3.3837 -3.0684 -3.0684 -1.2222 -1.2222 -1.1231 -1.1231 5.7654 5.7654 6.1268 6.1268 6.7801 6.7801 6.8542 6.8542 7.6035 7.6035 7.7501 7.7501 7.9513 7.9513 8.8524 8.8524 8.8842 8.8842 9.6595 9.6595 9.9578 9.9578 10.0204 10.0204 10.0864 10.0864 10.5734 10.5734 10.7585 10.7585 11.4862 11.4862 k = 0.5000 0.2179 0.0000 ( 9444 PWs) bands (ev): -68.8831 -68.8831 -68.8650 -68.8650 -38.6658 -38.6658 -38.6249 -38.6249 -37.5066 -37.5066 -37.4357 -37.4357 -37.4099 -37.4099 -37.3999 -37.3999 -18.6128 -18.6128 -5.1935 -5.1935 -3.3840 -3.3840 -3.0684 -3.0684 -1.2001 -1.2001 -1.1452 -1.1452 5.7762 5.7762 6.1173 6.1173 6.7796 6.7796 6.8537 6.8537 7.6039 7.6039 7.7506 7.7506 7.9513 7.9513 8.8518 8.8518 8.8831 8.8831 9.6547 9.6547 9.9578 9.9578 10.0211 10.0211 10.0872 10.0872 10.5733 10.5733 10.7611 10.7611 11.4854 11.4854 k = 0.5000 0.2179 0.0000 ( 9444 PWs) bands (ev): -68.8831 -68.8831 -68.8650 -68.8650 -38.6658 -38.6658 -38.6249 -38.6249 -37.5066 -37.5066 -37.4357 -37.4357 -37.4099 -37.4099 -37.3999 -37.3999 -18.6128 -18.6128 -5.1935 -5.1935 -3.3840 -3.3840 -3.0684 -3.0684 -1.2001 -1.2001 -1.1452 -1.1452 5.7762 5.7762 6.1173 6.1173 6.7796 6.7796 6.8537 6.8537 7.6039 7.6039 7.7506 7.7506 7.9513 7.9513 8.8518 8.8518 8.8831 8.8831 9.6547 9.6547 9.9578 9.9578 10.0211 10.0211 10.0872 10.0872 10.5733 10.5733 10.7611 10.7611 11.4854 11.4854 k = 0.4935 0.2327 0.0162 ( 9438 PWs) bands (ev): -68.8826 -68.8826 -68.8648 -68.8648 -38.6658 -38.6658 -38.6250 -38.6250 -37.5066 -37.5066 -37.4357 -37.4357 -37.4099 -37.4099 -37.3999 -37.3999 -18.6127 -18.6127 -5.1937 -5.1937 -3.3839 -3.3839 -3.0692 -3.0692 -1.2003 -1.2003 -1.1437 -1.1437 5.7772 5.7772 6.1167 6.1167 6.7801 6.7801 6.8541 6.8541 7.6013 7.6013 7.7479 7.7479 7.9521 7.9521 8.8523 8.8523 8.8861 8.8861 9.6558 9.6558 9.9620 9.9620 10.0205 10.0205 10.0864 10.0864 10.5742 10.5742 10.7633 10.7633 11.4841 11.4841 k = 0.4871 0.2475 0.0324 ( 9438 PWs) bands (ev): -68.8822 -68.8822 -68.8652 -68.8652 -38.6658 -38.6658 -38.6250 -38.6250 -37.5065 -37.5065 -37.4358 -37.4358 -37.4099 -37.4099 -37.3999 -37.3999 -18.6125 -18.6125 -5.1941 -5.1941 -3.3836 -3.3836 -3.0716 -3.0716 -1.2009 -1.2009 -1.1395 -1.1395 5.7783 5.7783 6.1144 6.1144 6.7814 6.7814 6.8552 6.8552 7.5934 7.5934 7.7401 7.7401 7.9549 7.9549 8.8510 8.8510 8.8931 8.8931 9.6552 9.6552 9.9612 9.9612 10.0197 10.0197 10.0843 10.0843 10.5744 10.5744 10.7684 10.7684 11.4794 11.4794 k = 0.4806 0.2624 0.0486 ( 9452 PWs) bands (ev): -68.8822 -68.8822 -68.8666 -68.8666 -38.6657 -38.6657 -38.6251 -38.6251 -37.5064 -37.5064 -37.4360 -37.4360 -37.4099 -37.4099 -37.4000 -37.4000 -18.6122 -18.6122 -5.1949 -5.1949 -3.3832 -3.3832 -3.0755 -3.0755 -1.2016 -1.2016 -1.1328 -1.1328 5.7788 5.7788 6.1107 6.1107 6.7831 6.7831 6.8565 6.8565 7.5793 7.5793 7.7281 7.7281 7.9590 7.9590 8.8470 8.8470 8.9040 8.9040 9.6536 9.6536 9.9538 9.9538 10.0164 10.0164 10.0784 10.0784 10.5718 10.5718 10.7762 10.7762 11.4686 11.4686 k = 0.4741 0.2772 0.0647 ( 9444 PWs) bands (ev): -68.8809 -68.8809 -68.8671 -68.8671 -38.6656 -38.6656 -38.6252 -38.6252 -37.5062 -37.5062 -37.4361 -37.4361 -37.4099 -37.4099 -37.4000 -37.4000 -18.6118 -18.6118 -5.1960 -5.1960 -3.3826 -3.3826 -3.0809 -3.0809 -1.2021 -1.2021 -1.1239 -1.1239 5.7824 5.7824 6.1056 6.1056 6.7854 6.7854 6.8582 6.8582 7.5588 7.5588 7.7140 7.7140 7.9666 7.9666 8.8451 8.8451 8.9220 8.9220 9.6529 9.6529 9.9528 9.9528 10.0148 10.0148 10.0750 10.0750 10.5759 10.5759 10.7893 10.7893 11.4515 11.4515 k = 0.4677 0.2920 0.0809 ( 9452 PWs) bands (ev): -68.8813 -68.8813 -68.8675 -68.8675 -38.6655 -38.6655 -38.6253 -38.6253 -37.5060 -37.5060 -37.4364 -37.4364 -37.4099 -37.4099 -37.4000 -37.4000 -18.6113 -18.6113 -5.1974 -5.1974 -3.3820 -3.3820 -3.0875 -3.0875 -1.2024 -1.2024 -1.1129 -1.1129 5.7868 5.7868 6.0984 6.0984 6.7886 6.7886 6.8607 6.8607 7.5298 7.5298 7.6980 7.6980 7.9706 7.9706 8.8422 8.8422 8.9437 8.9437 9.6490 9.6490 9.9463 9.9463 10.0064 10.0064 10.0638 10.0638 10.5811 10.5811 10.8061 10.8061 11.4292 11.4292 k = 0.4612 0.3069 0.0971 ( 9456 PWs) bands (ev): -68.8812 -68.8812 -68.8680 -68.8680 -38.6653 -38.6653 -38.6255 -38.6255 -37.5057 -37.5057 -37.4367 -37.4367 -37.4098 -37.4098 -37.4001 -37.4001 -18.6106 -18.6106 -5.1991 -5.1991 -3.3814 -3.3814 -3.0951 -3.0951 -1.2024 -1.2024 -1.1003 -1.1003 5.7914 5.7914 6.0904 6.0904 6.7935 6.7935 6.8648 6.8648 7.4938 7.4938 7.6818 7.6818 7.9779 7.9779 8.8385 8.8385 8.9676 8.9676 9.6462 9.6462 9.9367 9.9367 9.9972 9.9972 10.0541 10.0541 10.5849 10.5849 10.8259 10.8259 11.4035 11.4035 k = 0.4547 0.3217 0.1133 ( 9444 PWs) bands (ev): -68.8801 -68.8801 -68.8678 -68.8678 -38.6651 -38.6651 -38.6257 -38.6257 -37.5053 -37.5053 -37.4371 -37.4371 -37.4098 -37.4098 -37.4001 -37.4001 -18.6098 -18.6098 -5.2012 -5.2012 -3.3810 -3.3810 -3.1036 -3.1036 -1.2019 -1.2019 -1.0861 -1.0861 5.7961 5.7961 6.0821 6.0821 6.8000 6.8000 6.8703 6.8703 7.4517 7.4517 7.6660 7.6660 7.9867 7.9867 8.8336 8.8336 8.9955 8.9955 9.6475 9.6475 9.9311 9.9311 9.9873 9.9873 10.0480 10.0480 10.5961 10.5961 10.8501 10.8501 11.3761 11.3761 k = 0.4483 0.3366 0.1295 ( 9448 PWs) bands (ev): -68.8808 -68.8808 -68.8675 -68.8675 -38.6648 -38.6648 -38.6260 -38.6260 -37.5049 -37.5049 -37.4376 -37.4376 -37.4097 -37.4097 -37.4002 -37.4002 -18.6090 -18.6090 -5.2035 -5.2035 -3.3809 -3.3809 -3.1126 -3.1126 -1.2010 -1.2010 -1.0705 -1.0705 5.8022 5.8022 6.0711 6.0711 6.8076 6.8076 6.8769 6.8769 7.4039 7.4039 7.6496 7.6496 7.9963 7.9963 8.8296 8.8296 9.0237 9.0237 9.6411 9.6411 9.9130 9.9130 9.9711 9.9711 10.0404 10.0404 10.6015 10.6015 10.8767 10.8767 11.3479 11.3479 k = 0.4418 0.3514 0.1457 ( 9446 PWs) bands (ev): -68.8799 -68.8799 -68.8682 -68.8682 -38.6645 -38.6645 -38.6263 -38.6263 -37.5045 -37.5045 -37.4381 -37.4381 -37.4097 -37.4097 -37.4003 -37.4003 -18.6080 -18.6080 -5.2062 -5.2062 -3.3811 -3.3811 -3.1217 -3.1217 -1.1997 -1.1997 -1.0538 -1.0538 5.8067 5.8067 6.0594 6.0594 6.8149 6.8149 6.8830 6.8830 7.3525 7.3525 7.6337 7.6337 8.0095 8.0095 8.8232 8.8232 9.0530 9.0530 9.6383 9.6383 9.9051 9.9051 9.9554 9.9554 10.0372 10.0372 10.6052 10.6052 10.9063 10.9063 11.3148 11.3148 k = 0.4354 0.3662 0.1618 ( 9438 PWs) bands (ev): -68.8794 -68.8794 -68.8679 -68.8679 -38.6642 -38.6642 -38.6266 -38.6266 -37.5039 -37.5039 -37.4386 -37.4386 -37.4096 -37.4096 -37.4004 -37.4004 -18.6070 -18.6070 -5.2093 -5.2093 -3.3820 -3.3820 -3.1307 -3.1307 -1.1980 -1.1980 -1.0359 -1.0359 5.8112 5.8112 6.0467 6.0467 6.8239 6.8239 6.8908 6.8908 7.2989 7.2989 7.6175 7.6175 8.0223 8.0223 8.8172 8.8172 9.0839 9.0839 9.6339 9.6339 9.8925 9.8925 9.9380 9.9380 10.0373 10.0373 10.6144 10.6144 10.9389 10.9389 11.2834 11.2834 k = 0.4289 0.3811 0.1780 ( 9434 PWs) bands (ev): -68.8794 -68.8794 -68.8674 -68.8674 -38.6639 -38.6639 -38.6269 -38.6269 -37.5033 -37.5033 -37.4392 -37.4392 -37.4095 -37.4095 -37.4005 -37.4005 -18.6058 -18.6058 -5.2126 -5.2126 -3.3837 -3.3837 -3.1393 -3.1393 -1.1958 -1.1958 -1.0173 -1.0173 5.8143 5.8143 6.0329 6.0329 6.8337 6.8337 6.8992 6.8992 7.2440 7.2440 7.6008 7.6008 8.0365 8.0365 8.8103 8.8103 9.1146 9.1146 9.6272 9.6272 9.8730 9.8730 9.9183 9.9183 10.0395 10.0395 10.6264 10.6264 10.9734 10.9734 11.2514 11.2514 k = 0.4224 0.3959 0.1942 ( 9440 PWs) bands (ev): -68.8793 -68.8793 -68.8681 -68.8681 -38.6635 -38.6635 -38.6273 -38.6273 -37.5027 -37.5027 -37.4399 -37.4399 -37.4094 -37.4094 -37.4006 -37.4006 -18.6046 -18.6046 -5.2163 -5.2163 -3.3864 -3.3864 -3.1470 -3.1470 -1.1933 -1.1933 -0.9979 -0.9979 5.8157 5.8157 6.0186 6.0186 6.8430 6.8430 6.9066 6.9066 7.1895 7.1895 7.5834 7.5834 8.0504 8.0504 8.8036 8.8036 9.1445 9.1445 9.6207 9.6207 9.8511 9.8511 9.8951 9.8951 10.0465 10.0465 10.6286 10.6286 11.0086 11.0086 11.2179 11.2179 k = 0.4160 0.4107 0.2104 ( 9445 PWs) bands (ev): -68.8789 -68.8789 -68.8690 -68.8690 -38.6631 -38.6631 -38.6277 -38.6277 -37.5020 -37.5020 -37.4406 -37.4406 -37.4094 -37.4094 -37.4007 -37.4007 -18.6033 -18.6033 -5.2203 -5.2203 -3.3903 -3.3903 -3.1536 -3.1536 -1.1904 -1.1904 -0.9780 -0.9780 5.8151 5.8151 6.0031 6.0031 6.8532 6.8532 6.9147 6.9147 7.1364 7.1364 7.5654 7.5654 8.0671 8.0671 8.7974 8.7974 9.1706 9.1706 9.6118 9.6118 9.8310 9.8310 9.8706 9.8706 10.0578 10.0578 10.6289 10.6289 11.0422 11.0422 11.1870 11.1870 k = 0.4095 0.4256 0.2266 ( 9449 PWs) bands (ev): -68.8788 -68.8788 -68.8696 -68.8696 -38.6627 -38.6627 -38.6281 -38.6281 -37.5013 -37.5013 -37.4414 -37.4414 -37.4093 -37.4093 -37.4008 -37.4008 -18.6019 -18.6019 -5.2247 -5.2247 -3.3954 -3.3954 -3.1587 -3.1587 -1.1872 -1.1872 -0.9578 -0.9578 5.8107 5.8107 5.9877 5.9877 6.8650 6.8650 6.9234 6.9234 7.0866 7.0866 7.5470 7.5470 8.0839 8.0839 8.7890 8.7890 9.1971 9.1971 9.6031 9.6031 9.8080 9.8080 9.8451 9.8451 10.0694 10.0694 10.6297 10.6297 11.0757 11.0757 11.1602 11.1602 k = 0.4030 0.4404 0.2428 ( 9469 PWs) bands (ev): -68.8794 -68.8794 -68.8710 -68.8710 -38.6623 -38.6623 -38.6286 -38.6286 -37.5006 -37.5006 -37.4423 -37.4423 -37.4092 -37.4092 -37.4009 -37.4009 -18.6005 -18.6005 -5.2293 -5.2293 -3.4019 -3.4019 -3.1623 -3.1623 -1.1836 -1.1836 -0.9375 -0.9375 5.8033 5.8033 5.9712 5.9712 6.8762 6.8762 6.9300 6.9300 7.0415 7.0415 7.5272 7.5272 8.1024 8.1024 8.7807 8.7807 9.2182 9.2182 9.5907 9.5907 9.7805 9.7805 9.8142 9.8142 10.0831 10.0831 10.6255 10.6255 11.1033 11.1033 11.1331 11.1331 k = 0.3966 0.4553 0.2590 ( 9465 PWs) bands (ev): -68.8780 -68.8780 -68.8720 -68.8720 -38.6618 -38.6618 -38.6291 -38.6291 -37.4998 -37.4998 -37.4431 -37.4431 -37.4091 -37.4091 -37.4010 -37.4010 -18.5991 -18.5991 -5.2342 -5.2342 -3.4096 -3.4096 -3.1643 -3.1643 -1.1797 -1.1797 -0.9171 -0.9171 5.7919 5.7919 5.9548 5.9548 6.8883 6.8883 6.9329 6.9329 7.0058 7.0058 7.5081 7.5081 8.1282 8.1282 8.7752 8.7752 9.2384 9.2384 9.5790 9.5790 9.7581 9.7581 9.7885 9.7885 10.1068 10.1068 10.6252 10.6252 11.1079 11.1079 11.1265 11.1265 k = 0.3901 0.4701 0.2751 ( 9471 PWs) bands (ev): -68.8784 -68.8784 -68.8722 -68.8722 -38.6613 -38.6613 -38.6296 -38.6296 -37.4989 -37.4989 -37.4440 -37.4440 -37.4090 -37.4090 -37.4012 -37.4012 -18.5976 -18.5976 -5.2394 -5.2394 -3.4184 -3.4184 -3.1648 -3.1648 -1.1754 -1.1754 -0.8969 -0.8969 5.7767 5.7767 5.9386 5.9386 6.8993 6.8993 6.9249 6.9249 6.9894 6.9894 7.4881 7.4881 8.1465 8.1465 8.7687 8.7687 9.2572 9.2572 9.5642 9.5642 9.7313 9.7313 9.7596 9.7596 10.1297 10.1297 10.6233 10.6233 11.0886 11.0886 11.1409 11.1409 k = 0.3836 0.4849 0.2913 ( 9471 PWs) bands (ev): -68.8782 -68.8782 -68.8724 -68.8724 -38.6607 -38.6607 -38.6302 -38.6302 -37.4980 -37.4980 -37.4450 -37.4450 -37.4089 -37.4089 -37.4013 -37.4013 -18.5961 -18.5961 -5.2449 -5.2449 -3.4282 -3.4282 -3.1637 -3.1637 -1.1707 -1.1707 -0.8771 -0.8771 5.7570 5.7570 5.9227 5.9227 6.8942 6.8942 6.9216 6.9216 6.9907 6.9907 7.4680 7.4680 8.1697 8.1697 8.7641 8.7641 9.2729 9.2729 9.5498 9.5498 9.7033 9.7033 9.7299 9.7299 10.1579 10.1579 10.6221 10.6221 11.0717 11.0717 11.1451 11.1451 k = 0.3772 0.4998 0.3075 ( 9477 PWs) bands (ev): -68.8785 -68.8785 -68.8728 -68.8728 -38.6602 -38.6602 -38.6307 -38.6307 -37.4971 -37.4971 -37.4460 -37.4460 -37.4088 -37.4088 -37.4015 -37.4015 -18.5946 -18.5946 -5.2505 -5.2505 -3.4386 -3.4386 -3.1614 -3.1614 -1.1657 -1.1657 -0.8578 -0.8578 5.7326 5.7326 5.9073 5.9073 6.8732 6.8732 6.9335 6.9335 6.9994 6.9994 7.4470 7.4470 8.1919 8.1919 8.7592 8.7592 9.2863 9.2863 9.5349 9.5349 9.6730 9.6730 9.6987 9.6987 10.1877 10.1877 10.6152 10.6152 11.0582 11.0582 11.1378 11.1378 k = 0.3707 0.5146 0.3237 ( 9473 PWs) bands (ev): -68.8782 -68.8782 -68.8726 -68.8726 -38.6596 -38.6596 -38.6313 -38.6313 -37.4961 -37.4961 -37.4471 -37.4471 -37.4087 -37.4087 -37.4017 -37.4017 -18.5930 -18.5930 -5.2563 -5.2563 -3.4496 -3.4496 -3.1580 -3.1580 -1.1603 -1.1603 -0.8391 -0.8391 5.7043 5.7043 5.8927 5.8927 6.8540 6.8540 6.9486 6.9486 7.0116 7.0116 7.4265 7.4265 8.2186 8.2186 8.7566 8.7566 9.2962 9.2962 9.5199 9.5199 9.6415 9.6415 9.6658 9.6658 10.2221 10.2221 10.6094 10.6094 11.0487 11.0487 11.1181 11.1181 k = 0.3642 0.5294 0.3399 ( 9477 PWs) bands (ev): -68.8780 -68.8780 -68.8732 -68.8732 -38.6590 -38.6590 -38.6320 -38.6320 -37.4950 -37.4950 -37.4482 -37.4482 -37.4085 -37.4085 -37.4018 -37.4018 -18.5915 -18.5915 -5.2623 -5.2623 -3.4608 -3.4608 -3.1536 -3.1536 -1.1546 -1.1546 -0.8214 -0.8214 5.6715 5.6715 5.8785 5.8785 6.8383 6.8383 6.9638 6.9638 7.0245 7.0245 7.4060 7.4060 8.2442 8.2442 8.7542 8.7542 9.3003 9.3003 9.5022 9.5022 9.6109 9.6109 9.6345 9.6345 10.2576 10.2576 10.6024 10.6024 11.0399 11.0399 11.0874 11.0874 k = 0.3578 0.5443 0.3561 ( 9477 PWs) bands (ev): -68.8778 -68.8778 -68.8734 -68.8734 -38.6584 -38.6584 -38.6326 -38.6326 -37.4940 -37.4940 -37.4493 -37.4493 -37.4084 -37.4084 -37.4020 -37.4020 -18.5900 -18.5900 -5.2683 -5.2683 -3.4720 -3.4720 -3.1485 -3.1485 -1.1484 -1.1484 -0.8046 -0.8046 5.6359 5.6359 5.8656 5.8656 6.8270 6.8270 6.9798 6.9798 7.0385 7.0385 7.3850 7.3850 8.2711 8.2711 8.7541 8.7541 9.3027 9.3027 9.4846 9.4846 9.5784 9.5784 9.6027 9.6027 10.2959 10.2959 10.5937 10.5937 11.0334 11.0334 11.0496 11.0496 k = 0.3513 0.5591 0.3723 ( 9485 PWs) bands (ev): -68.8780 -68.8780 -68.8741 -68.8741 -38.6577 -38.6577 -38.6333 -38.6333 -37.4929 -37.4929 -37.4505 -37.4505 -37.4083 -37.4083 -37.4022 -37.4022 -18.5885 -18.5885 -5.2744 -5.2744 -3.4832 -3.4832 -3.1429 -3.1429 -1.1419 -1.1419 -0.7890 -0.7890 5.5975 5.5975 5.8533 5.8533 6.8188 6.8188 6.9956 6.9956 7.0528 7.0528 7.3646 7.3646 8.2996 8.2996 8.7528 8.7528 9.3018 9.3018 9.4641 9.4641 9.5451 9.5451 9.5677 9.5677 10.3310 10.3310 10.5848 10.5848 11.0030 11.0030 11.0325 11.0325 k = 0.3448 0.5740 0.3884 ( 9467 PWs) bands (ev): -68.8777 -68.8777 -68.8724 -68.8724 -38.6570 -38.6570 -38.6340 -38.6340 -37.4917 -37.4917 -37.4517 -37.4517 -37.4081 -37.4081 -37.4024 -37.4024 -18.5871 -18.5871 -5.2805 -5.2805 -3.4940 -3.4940 -3.1368 -3.1368 -1.1349 -1.1349 -0.7747 -0.7747 5.5584 5.5584 5.8432 5.8432 6.8152 6.8152 7.0128 7.0128 7.0685 7.0685 7.3443 7.3443 8.3284 8.3284 8.7553 8.7553 9.3030 9.3030 9.4487 9.4487 9.5138 9.5138 9.5408 9.5408 10.3666 10.3666 10.5767 10.5767 10.9596 10.9596 11.0354 11.0354 k = 0.3384 0.5888 0.4046 ( 9463 PWs) bands (ev): -68.8774 -68.8774 -68.8723 -68.8723 -38.6563 -38.6563 -38.6347 -38.6347 -37.4905 -37.4905 -37.4530 -37.4530 -37.4079 -37.4079 -37.4026 -37.4026 -18.5857 -18.5857 -5.2865 -5.2865 -3.5045 -3.5045 -3.1305 -3.1305 -1.1274 -1.1274 -0.7619 -0.7619 5.5182 5.5182 5.8338 5.8338 6.8136 6.8136 7.0294 7.0294 7.0838 7.0838 7.3242 7.3242 8.3601 8.3601 8.7584 8.7584 9.2962 9.2962 9.4269 9.4269 9.4815 9.4815 9.5119 9.5119 10.3960 10.3960 10.5671 10.5671 10.9199 10.9199 11.0378 11.0378 k = 0.3319 0.6036 0.4208 ( 9459 PWs) bands (ev): -68.8764 -68.8764 -68.8729 -68.8729 -38.6556 -38.6556 -38.6354 -38.6354 -37.4893 -37.4893 -37.4542 -37.4542 -37.4077 -37.4077 -37.4027 -37.4027 -18.5843 -18.5843 -5.2925 -5.2925 -3.5145 -3.5145 -3.1241 -3.1241 -1.1195 -1.1195 -0.7507 -0.7507 5.4782 5.4782 5.8256 5.8256 6.8123 6.8123 7.0454 7.0454 7.0986 7.0986 7.3057 7.3057 8.3935 8.3935 8.7625 8.7625 9.2865 9.2865 9.4021 9.4021 9.4511 9.4511 9.4866 9.4866 10.4154 10.4154 10.5598 10.5598 10.8904 10.8904 11.0418 11.0418 k = 0.3254 0.6185 0.4370 ( 9451 PWs) bands (ev): -68.8765 -68.8765 -68.8720 -68.8720 -38.6548 -38.6548 -38.6361 -38.6361 -37.4880 -37.4880 -37.4555 -37.4555 -37.4075 -37.4075 -37.4029 -37.4029 -18.5830 -18.5830 -5.2982 -5.2982 -3.5238 -3.5238 -3.1176 -3.1176 -1.1112 -1.1112 -0.7412 -0.7412 5.4391 5.4391 5.8196 5.8196 6.8124 6.8124 7.0620 7.0620 7.1143 7.1143 7.2870 7.2870 8.4270 8.4270 8.7667 8.7667 9.2757 9.2757 9.3767 9.3767 9.4238 9.4238 9.4596 9.4596 10.4192 10.4192 10.5521 10.5521 10.8774 10.8774 11.0501 11.0501 k = 0.3190 0.6333 0.4532 ( 9467 PWs) bands (ev): -68.8774 -68.8774 -68.8726 -68.8726 -38.6541 -38.6541 -38.6369 -38.6369 -37.4867 -37.4867 -37.4569 -37.4569 -37.4074 -37.4074 -37.4031 -37.4031 -18.5818 -18.5818 -5.3038 -5.3038 -3.5326 -3.5326 -3.1113 -3.1113 -1.1023 -1.1023 -0.7336 -0.7336 5.4015 5.4015 5.8146 5.8146 6.8114 6.8114 7.0769 7.0769 7.1285 7.1285 7.2683 7.2683 8.4568 8.4568 8.7709 8.7709 9.2611 9.2611 9.3431 9.3431 9.3922 9.3922 9.4321 9.4321 10.4054 10.4054 10.5415 10.5415 10.8836 10.8836 11.0571 11.0571 k = 0.3125 0.6481 0.4694 ( 9475 PWs) bands (ev): -68.8776 -68.8776 -68.8733 -68.8733 -38.6533 -38.6533 -38.6376 -38.6376 -37.4854 -37.4854 -37.4582 -37.4582 -37.4072 -37.4072 -37.4034 -37.4034 -18.5807 -18.5807 -5.3090 -5.3090 -3.5407 -3.5407 -3.1051 -3.1051 -1.0930 -1.0930 -0.7279 -0.7279 5.3659 5.3659 5.8115 5.8115 6.8094 6.8094 7.0910 7.0910 7.1427 7.1427 7.2506 7.2506 8.4902 8.4902 8.7788 8.7788 9.2435 9.2435 9.3083 9.3083 9.3608 9.3608 9.4129 9.4129 10.3788 10.3788 10.5318 10.5318 10.9092 10.9092 11.0648 11.0648 k = 0.3061 0.6630 0.4855 ( 9459 PWs) bands (ev): -68.8769 -68.8769 -68.8724 -68.8724 -38.6526 -38.6526 -38.6384 -38.6384 -37.4841 -37.4841 -37.4596 -37.4596 -37.4070 -37.4070 -37.4035 -37.4035 -18.5797 -18.5797 -5.3139 -5.3139 -3.5480 -3.5480 -3.0993 -3.0993 -1.0830 -1.0830 -0.7242 -0.7242 5.3331 5.3331 5.8107 5.8107 6.8067 6.8067 7.1054 7.1054 7.1587 7.1587 7.2352 7.2352 8.5280 8.5280 8.7898 8.7898 9.2265 9.2265 9.2774 9.2774 9.3349 9.3349 9.3985 9.3985 10.3438 10.3438 10.5246 10.5246 10.9501 10.9501 11.0768 11.0768 k = 0.2996 0.6778 0.5017 ( 9443 PWs) bands (ev): -68.8754 -68.8754 -68.8722 -68.8722 -38.6518 -38.6518 -38.6392 -38.6392 -37.4827 -37.4827 -37.4609 -37.4609 -37.4068 -37.4068 -37.4037 -37.4037 -18.5787 -18.5787 -5.3185 -5.3185 -3.5546 -3.5546 -3.0938 -3.0938 -1.0725 -1.0725 -0.7227 -0.7227 5.3034 5.3034 5.8117 5.8117 6.8012 6.8012 7.1174 7.1174 7.1733 7.1733 7.2222 7.2222 8.5681 8.5681 8.8044 8.8044 9.2032 9.2032 9.2493 9.2493 9.3108 9.3108 9.3869 9.3869 10.3023 10.3023 10.5178 10.5178 11.0031 11.0031 11.0896 11.0896 k = 0.2931 0.6927 0.5179 ( 9455 PWs) bands (ev): -68.8760 -68.8760 -68.8729 -68.8729 -38.6510 -38.6510 -38.6400 -38.6400 -37.4814 -37.4814 -37.4624 -37.4624 -37.4066 -37.4066 -37.4039 -37.4039 -18.5779 -18.5779 -5.3226 -5.3226 -3.5605 -3.5605 -3.0888 -3.0888 -1.0615 -1.0615 -0.7233 -0.7233 5.2769 5.2769 5.8147 5.8147 6.7928 6.7928 7.1251 7.1251 7.1839 7.1839 7.2138 7.2138 8.6023 8.6023 8.8137 8.8137 9.1712 9.1712 9.2248 9.2248 9.2828 9.2828 9.3715 9.3715 10.2561 10.2561 10.5117 10.5117 11.0585 11.0585 11.1018 11.1018 k = 0.2867 0.7075 0.5341 ( 9447 PWs) bands (ev): -68.8751 -68.8751 -68.8730 -68.8730 -38.6502 -38.6502 -38.6408 -38.6408 -37.4800 -37.4800 -37.4637 -37.4637 -37.4064 -37.4064 -37.4041 -37.4041 -18.5771 -18.5771 -5.3262 -5.3262 -3.5656 -3.5656 -3.0842 -3.0842 -1.0499 -1.0499 -0.7262 -0.7262 5.2542 5.2542 5.8199 5.8199 6.7812 6.7812 7.1285 7.1285 7.1903 7.1903 7.2154 7.2154 8.6415 8.6415 8.8262 8.8262 9.1360 9.1360 9.2066 9.2066 9.2633 9.2633 9.3648 9.3648 10.2104 10.2104 10.5067 10.5067 11.1100 11.1100 11.1272 11.1272 k = 0.2802 0.7223 0.5503 ( 9447 PWs) bands (ev): -68.8752 -68.8752 -68.8729 -68.8729 -38.6494 -38.6494 -38.6416 -38.6416 -37.4786 -37.4786 -37.4652 -37.4652 -37.4062 -37.4062 -37.4043 -37.4043 -18.5765 -18.5765 -5.3293 -5.3293 -3.5698 -3.5698 -3.0802 -3.0802 -1.0377 -1.0377 -0.7315 -0.7315 5.2353 5.2353 5.8272 5.8272 6.7668 6.7668 7.1254 7.1254 7.1934 7.1934 7.2260 7.2260 8.6805 8.6805 8.8375 8.8375 9.0970 9.0970 9.1916 9.1916 9.2425 9.2425 9.3555 9.3555 10.1665 10.1665 10.5026 10.5026 11.1269 11.1269 11.1876 11.1876 k = 0.2737 0.7372 0.5665 ( 9459 PWs) bands (ev): -68.8750 -68.8750 -68.8744 -68.8744 -38.6486 -38.6486 -38.6424 -38.6424 -37.4772 -37.4772 -37.4666 -37.4666 -37.4061 -37.4061 -37.4045 -37.4045 -18.5760 -18.5760 -5.3318 -5.3318 -3.5733 -3.5733 -3.0768 -3.0768 -1.0250 -1.0250 -0.7390 -0.7390 5.2205 5.2205 5.8365 5.8365 6.7483 6.7483 7.1171 7.1171 7.1971 7.1971 7.2383 7.2383 8.7162 8.7162 8.8519 8.8519 9.0540 9.0540 9.1732 9.1732 9.2233 9.2233 9.3474 9.3474 10.1239 10.1239 10.4991 10.4991 11.1399 11.1399 11.2554 11.2554 k = 0.2737 0.7372 0.5665 ( 9459 PWs) bands (ev): -68.8750 -68.8750 -68.8744 -68.8744 -38.6486 -38.6486 -38.6424 -38.6424 -37.4772 -37.4772 -37.4666 -37.4666 -37.4061 -37.4061 -37.4045 -37.4045 -18.5760 -18.5760 -5.3318 -5.3318 -3.5733 -3.5733 -3.0768 -3.0768 -1.0250 -1.0250 -0.7390 -0.7390 5.2205 5.2205 5.8365 5.8365 6.7483 6.7483 7.1171 7.1171 7.1971 7.1971 7.2383 7.2383 8.7162 8.7162 8.8519 8.8519 9.0540 9.0540 9.1732 9.1732 9.2233 9.2233 9.3474 9.3474 10.1239 10.1239 10.4991 10.4991 11.1399 11.1399 11.2554 11.2554 k = 0.2527 0.7330 0.5710 ( 9457 PWs) bands (ev): -68.8749 -68.8749 -68.8743 -68.8743 -38.6483 -38.6483 -38.6427 -38.6427 -37.4768 -37.4768 -37.4670 -37.4670 -37.4060 -37.4060 -37.4046 -37.4046 -18.5759 -18.5759 -5.3324 -5.3324 -3.5742 -3.5742 -3.0759 -3.0759 -1.0212 -1.0212 -0.7418 -0.7418 5.2180 5.2180 5.8377 5.8377 6.7448 6.7448 7.1133 7.1133 7.1979 7.1979 7.2434 7.2434 8.7280 8.7280 8.8586 8.8586 9.0419 9.0419 9.1679 9.1679 9.2180 9.2180 9.3438 9.3438 10.1165 10.1165 10.4976 10.4976 11.1146 11.1146 11.3048 11.3048 k = 0.2316 0.7288 0.5756 ( 9455 PWs) bands (ev): -68.8748 -68.8748 -68.8741 -68.8741 -38.6481 -38.6481 -38.6429 -38.6429 -37.4764 -37.4764 -37.4674 -37.4674 -37.4059 -37.4059 -37.4047 -37.4047 -18.5758 -18.5758 -5.3330 -5.3330 -3.5749 -3.5749 -3.0750 -3.0750 -1.0169 -1.0169 -0.7452 -0.7452 5.2176 5.2176 5.8357 5.8357 6.7439 6.7439 7.1088 7.1088 7.1972 7.1972 7.2488 7.2488 8.7392 8.7392 8.8648 8.8648 9.0315 9.0315 9.1637 9.1637 9.2139 9.2139 9.3385 9.3385 10.1127 10.1127 10.4974 10.4974 11.0679 11.0679 11.3749 11.3749 k = 0.2106 0.7246 0.5802 ( 9463 PWs) bands (ev): -68.8752 -68.8752 -68.8746 -68.8746 -38.6479 -38.6479 -38.6431 -38.6431 -37.4760 -37.4760 -37.4678 -37.4678 -37.4059 -37.4059 -37.4047 -37.4047 -18.5757 -18.5757 -5.3335 -5.3335 -3.5757 -3.5757 -3.0742 -3.0742 -1.0123 -1.0123 -0.7491 -0.7491 5.2192 5.2192 5.8302 5.8302 6.7460 6.7460 7.1029 7.1029 7.1944 7.1944 7.2533 7.2533 8.7494 8.7494 8.8730 8.8730 9.0194 9.0194 9.1576 9.1576 9.2088 9.2088 9.3290 9.3290 10.1125 10.1125 10.4954 10.4954 11.0167 11.0167 11.4320 11.4320 k = 0.1895 0.7204 0.5847 ( 9462 PWs) bands (ev): -68.8754 -68.8754 -68.8743 -68.8743 -38.6476 -38.6476 -38.6434 -38.6434 -37.4756 -37.4756 -37.4682 -37.4682 -37.4059 -37.4059 -37.4048 -37.4048 -18.5756 -18.5756 -5.3340 -5.3340 -3.5763 -3.5763 -3.0734 -3.0734 -1.0075 -1.0075 -0.7534 -0.7534 5.2226 5.2226 5.8220 5.8220 6.7514 6.7514 7.0966 7.0966 7.1901 7.1901 7.2587 7.2587 8.7600 8.7600 8.8833 8.8833 9.0079 9.0079 9.1535 9.1535 9.2070 9.2070 9.3188 9.3188 10.1170 10.1170 10.4932 10.4932 10.9683 10.9683 11.4303 11.4303 k = 0.1684 0.7162 0.5893 ( 9460 PWs) bands (ev): -68.8755 -68.8755 -68.8740 -68.8740 -38.6474 -38.6474 -38.6436 -38.6436 -37.4751 -37.4751 -37.4687 -37.4687 -37.4058 -37.4058 -37.4049 -37.4049 -18.5755 -18.5755 -5.3344 -5.3344 -3.5769 -3.5769 -3.0727 -3.0727 -1.0026 -1.0026 -0.7579 -0.7579 5.2276 5.2276 5.8113 5.8113 6.7594 6.7594 7.0907 7.0907 7.1844 7.1844 7.2652 7.2652 8.7725 8.7725 8.8931 8.8931 8.9967 8.9967 9.1471 9.1471 9.2063 9.2063 9.3080 9.3080 10.1250 10.1250 10.4917 10.4917 10.9199 10.9199 11.4235 11.4235 k = 0.1474 0.7120 0.5939 ( 9468 PWs) bands (ev): -68.8756 -68.8756 -68.8748 -68.8748 -38.6472 -38.6472 -38.6439 -38.6439 -37.4748 -37.4748 -37.4691 -37.4691 -37.4057 -37.4057 -37.4049 -37.4049 -18.5754 -18.5754 -5.3348 -5.3348 -3.5775 -3.5775 -3.0720 -3.0720 -0.9977 -0.9977 -0.7626 -0.7626 5.2336 5.2336 5.7987 5.7987 6.7699 6.7699 7.0840 7.0840 7.1772 7.1772 7.2694 7.2694 8.7830 8.7830 8.9027 8.9027 8.9843 8.9843 9.1379 9.1379 9.2051 9.2051 9.2963 9.2963 10.1366 10.1366 10.4887 10.4887 10.8741 10.8741 11.4129 11.4129 k = 0.1263 0.7078 0.5985 ( 9475 PWs) bands (ev): -68.8758 -68.8758 -68.8753 -68.8753 -38.6469 -38.6469 -38.6441 -38.6441 -37.4744 -37.4744 -37.4695 -37.4695 -37.4057 -37.4057 -37.4050 -37.4050 -18.5753 -18.5753 -5.3351 -5.3351 -3.5779 -3.5779 -3.0714 -3.0714 -0.9929 -0.9929 -0.7673 -0.7673 5.2406 5.2406 5.7851 5.7851 6.7814 6.7814 7.0777 7.0777 7.1691 7.1691 7.2744 7.2744 8.7947 8.7947 8.9110 8.9110 8.9753 8.9753 9.1269 9.1269 9.2030 9.2030 9.2843 9.2843 10.1493 10.1493 10.4861 10.4861 10.8308 10.8308 11.4055 11.4055 k = 0.1053 0.7037 0.6030 ( 9477 PWs) bands (ev): -68.8757 -68.8757 -68.8756 -68.8756 -38.6467 -38.6467 -38.6443 -38.6443 -37.4740 -37.4740 -37.4699 -37.4699 -37.4057 -37.4057 -37.4051 -37.4051 -18.5753 -18.5753 -5.3354 -5.3354 -3.5783 -3.5783 -3.0709 -3.0709 -0.9884 -0.9884 -0.7717 -0.7717 5.2478 5.2478 5.7714 5.7714 6.7936 6.7936 7.0720 7.0720 7.1609 7.1609 7.2790 7.2790 8.8081 8.8081 8.9165 8.9165 8.9706 8.9706 9.1156 9.1156 9.2034 9.2034 9.2731 9.2731 10.1634 10.1634 10.4844 10.4844 10.7911 10.7911 11.3997 11.3997 k = 0.0842 0.6995 0.6076 ( 9476 PWs) bands (ev): -68.8757 -68.8757 -68.8755 -68.8755 -38.6465 -38.6465 -38.6446 -38.6446 -37.4736 -37.4736 -37.4703 -37.4703 -37.4056 -37.4056 -37.4051 -37.4051 -18.5753 -18.5753 -5.3356 -5.3356 -3.5787 -3.5787 -3.0704 -3.0704 -0.9844 -0.9844 -0.7757 -0.7757 5.2549 5.2549 5.7585 5.7585 6.8063 6.8063 7.0665 7.0665 7.1534 7.1534 7.2831 7.2831 8.8199 8.8199 8.9166 8.9166 8.9724 8.9724 9.1039 9.1039 9.2062 9.2062 9.2627 9.2627 10.1792 10.1792 10.4822 10.4822 10.7566 10.7566 11.3950 11.3950 k = 0.0632 0.6953 0.6122 ( 9472 PWs) bands (ev): -68.8757 -68.8757 -68.8752 -68.8752 -38.6462 -38.6462 -38.6448 -38.6448 -37.4731 -37.4731 -37.4707 -37.4707 -37.4055 -37.4055 -37.4052 -37.4052 -18.5752 -18.5752 -5.3358 -5.3358 -3.5789 -3.5789 -3.0700 -3.0700 -0.9811 -0.9811 -0.7791 -0.7791 5.2613 5.2613 5.7473 5.7473 6.8176 6.8176 7.0621 7.0621 7.1469 7.1469 7.2868 7.2868 8.8317 8.8317 8.9119 8.9119 8.9807 8.9807 9.0912 9.0912 9.2105 9.2105 9.2539 9.2539 10.1938 10.1938 10.4821 10.4821 10.7268 10.7268 11.3924 11.3924 k = 0.0421 0.6911 0.6167 ( 9467 PWs) bands (ev): -68.8754 -68.8754 -68.8750 -68.8750 -38.6460 -38.6460 -38.6450 -38.6450 -37.4727 -37.4727 -37.4711 -37.4711 -37.4055 -37.4055 -37.4052 -37.4052 -18.5752 -18.5752 -5.3359 -5.3359 -3.5791 -3.5791 -3.0698 -3.0698 -0.9785 -0.9785 -0.7816 -0.7816 5.2664 5.2664 5.7386 5.7386 6.8269 6.8269 7.0585 7.0585 7.1420 7.1420 7.2893 7.2893 8.8440 8.8440 8.9046 8.9046 8.9942 8.9942 9.0786 9.0786 9.2131 9.2131 9.2454 9.2454 10.2059 10.2059 10.4816 10.4816 10.7051 10.7051 11.3901 11.3901 k = 0.0211 0.6869 0.6213 ( 9476 PWs) bands (ev): -68.8757 -68.8757 -68.8756 -68.8756 -38.6457 -38.6457 -38.6453 -38.6453 -37.4723 -37.4723 -37.4715 -37.4715 -37.4054 -37.4054 -37.4053 -37.4053 -18.5752 -18.5752 -5.3360 -5.3360 -3.5792 -3.5792 -3.0696 -3.0696 -0.9770 -0.9770 -0.7832 -0.7832 5.2697 5.2697 5.7330 5.7330 6.8328 6.8328 7.0551 7.0551 7.1381 7.1381 7.2907 7.2907 8.8533 8.8533 8.8946 8.8946 9.0034 9.0034 9.0664 9.0664 9.2163 9.2163 9.2351 9.2351 10.2134 10.2134 10.4792 10.4792 10.6901 10.6901 11.3885 11.3885 k = 0.0000 0.6827 0.6259 ( 9472 PWs) bands (ev): -68.8754 -68.8754 -68.8754 -68.8754 -38.6455 -38.6455 -38.6455 -38.6455 -37.4719 -37.4719 -37.4719 -37.4719 -37.4053 -37.4053 -37.4053 -37.4053 -18.5752 -18.5752 -5.3360 -5.3360 -3.5793 -3.5793 -3.0696 -3.0696 -0.9764 -0.9764 -0.7838 -0.7838 5.2708 5.2708 5.7311 5.7311 6.8348 6.8348 7.0545 7.0545 7.1373 7.1373 7.2911 7.2911 8.8577 8.8577 8.8920 8.8920 9.0101 9.0101 9.0621 9.0621 9.2187 9.2187 9.2313 9.2313 10.2163 10.2163 10.4797 10.4797 10.6852 10.6852 11.3880 11.3880 k = 0.0000 0.6827 0.6259 ( 9472 PWs) bands (ev): -68.8754 -68.8754 -68.8754 -68.8754 -38.6455 -38.6455 -38.6455 -38.6455 -37.4719 -37.4719 -37.4719 -37.4719 -37.4053 -37.4053 -37.4053 -37.4053 -18.5752 -18.5752 -5.3360 -5.3360 -3.5793 -3.5793 -3.0696 -3.0696 -0.9764 -0.9764 -0.7838 -0.7838 5.2708 5.2708 5.7311 5.7311 6.8348 6.8348 7.0545 7.0545 7.1373 7.1373 7.2911 7.2911 8.8577 8.8577 8.8920 8.8920 9.0101 9.0101 9.0621 9.0621 9.2187 9.2187 9.2313 9.2313 10.2163 10.2163 10.4797 10.4797 10.6852 10.6852 11.3880 11.3880 k = 0.0066 0.6676 0.6423 ( 9468 PWs) bands (ev): -68.8752 -68.8752 -68.8752 -68.8752 -38.6455 -38.6455 -38.6455 -38.6455 -37.4719 -37.4719 -37.4719 -37.4719 -37.4053 -37.4053 -37.4053 -37.4053 -18.5751 -18.5751 -5.3360 -5.3360 -3.5791 -3.5791 -3.0701 -3.0701 -0.9758 -0.9758 -0.7839 -0.7839 5.2718 5.2718 5.7300 5.7300 6.8342 6.8342 7.0548 7.0548 7.1373 7.1373 7.2908 7.2908 8.8551 8.8551 8.8886 8.8886 9.0098 9.0098 9.0664 9.0664 9.2210 9.2210 9.2332 9.2332 10.2176 10.2176 10.4727 10.4727 10.6922 10.6922 11.3751 11.3751 k = 0.0132 0.6525 0.6588 ( 9470 PWs) bands (ev): -68.8753 -68.8753 -68.8753 -68.8753 -38.6455 -38.6455 -38.6455 -38.6455 -37.4720 -37.4720 -37.4719 -37.4719 -37.4053 -37.4053 -37.4053 -37.4053 -18.5749 -18.5749 -5.3360 -5.3360 -3.5786 -3.5786 -3.0717 -3.0717 -0.9741 -0.9741 -0.7844 -0.7844 5.2748 5.2748 5.7265 5.7265 6.8315 6.8315 7.0554 7.0554 7.1366 7.1366 7.2886 7.2886 8.8465 8.8465 8.8792 8.8792 9.0094 9.0094 9.0768 9.0768 9.2219 9.2219 9.2325 9.2325 10.2191 10.2191 10.4537 10.4537 10.7088 10.7088 11.3381 11.3381 k = 0.0197 0.6374 0.6753 ( 9466 PWs) bands (ev): -68.8751 -68.8751 -68.8751 -68.8751 -38.6455 -38.6455 -38.6455 -38.6455 -37.4721 -37.4721 -37.4720 -37.4720 -37.4053 -37.4053 -37.4052 -37.4052 -18.5746 -18.5746 -5.3361 -5.3361 -3.5778 -3.5778 -3.0743 -3.0743 -0.9713 -0.9713 -0.7851 -0.7851 5.2798 5.2798 5.7209 5.7209 6.8270 6.8270 7.0559 7.0559 7.1351 7.1351 7.2867 7.2867 8.8351 8.8351 8.8638 8.8638 9.0106 9.0106 9.0907 9.0907 9.2263 9.2263 9.2355 9.2355 10.2218 10.2218 10.4262 10.4262 10.7316 10.7316 11.2854 11.2854 k = 0.0263 0.6223 0.6918 ( 9468 PWs) bands (ev): -68.8752 -68.8752 -68.8752 -68.8752 -38.6456 -38.6456 -38.6455 -38.6455 -37.4722 -37.4722 -37.4721 -37.4721 -37.4052 -37.4052 -37.4051 -37.4051 -18.5742 -18.5742 -5.3362 -5.3362 -3.5768 -3.5768 -3.0779 -3.0779 -0.9674 -0.9674 -0.7861 -0.7861 5.2867 5.2867 5.7131 5.7131 6.8209 6.8209 7.0563 7.0563 7.1321 7.1321 7.2843 7.2843 8.8188 8.8188 8.8443 8.8443 9.0087 9.0087 9.1050 9.1050 9.2308 9.2308 9.2399 9.2399 10.2245 10.2245 10.3951 10.3951 10.7570 10.7570 11.2216 11.2216 k = 0.0329 0.6072 0.7082 ( 9464 PWs) bands (ev): -68.8750 -68.8750 -68.8750 -68.8750 -38.6456 -38.6456 -38.6455 -38.6455 -37.4723 -37.4723 -37.4722 -37.4722 -37.4051 -37.4051 -37.4049 -37.4049 -18.5737 -18.5737 -5.3363 -5.3363 -3.5754 -3.5754 -3.0824 -3.0824 -0.9624 -0.9624 -0.7873 -0.7873 5.2953 5.2953 5.7032 5.7032 6.8139 6.8139 7.0563 7.0563 7.1274 7.1274 7.2835 7.2835 8.8009 8.8009 8.8232 8.8232 9.0053 9.0053 9.1195 9.1195 9.2371 9.2371 9.2472 9.2472 10.2288 10.2288 10.3633 10.3633 10.7834 10.7834 11.1537 11.1537 k = 0.0395 0.5921 0.7247 ( 9458 PWs) bands (ev): -68.8747 -68.8747 -68.8747 -68.8747 -38.6456 -38.6456 -38.6455 -38.6455 -37.4725 -37.4725 -37.4723 -37.4723 -37.4049 -37.4049 -37.4048 -37.4048 -18.5731 -18.5731 -5.3365 -5.3365 -3.5738 -3.5738 -3.0878 -3.0878 -0.9564 -0.9564 -0.7889 -0.7889 5.3056 5.3056 5.6914 5.6914 6.8052 6.8052 7.0544 7.0544 7.1206 7.1206 7.2865 7.2865 8.7821 8.7821 8.8016 8.8016 8.9984 8.9984 9.1299 9.1299 9.2467 9.2467 9.2584 9.2584 10.2321 10.2321 10.3292 10.3292 10.8087 10.8087 11.0882 11.0882 k = 0.0461 0.5770 0.7412 ( 9464 PWs) bands (ev): -68.8750 -68.8750 -68.8750 -68.8750 -38.6456 -38.6456 -38.6456 -38.6456 -37.4727 -37.4727 -37.4724 -37.4724 -37.4047 -37.4047 -37.4046 -37.4046 -18.5723 -18.5723 -5.3367 -5.3367 -3.5720 -3.5720 -3.0939 -3.0939 -0.9493 -0.9493 -0.7908 -0.7908 5.3172 5.3172 5.6778 5.6778 6.7942 6.7942 7.0488 7.0488 7.1120 7.1120 7.2913 7.2913 8.7599 8.7599 8.7779 8.7779 8.9855 8.9855 9.1376 9.1376 9.2573 9.2573 9.2715 9.2715 10.2309 10.2309 10.2960 10.2960 10.8281 10.8281 11.0250 11.0250 k = 0.0526 0.5619 0.7576 ( 9460 PWs) bands (ev): -68.8749 -68.8749 -68.8749 -68.8749 -38.6457 -38.6457 -38.6456 -38.6456 -37.4728 -37.4728 -37.4726 -37.4726 -37.4046 -37.4046 -37.4044 -37.4044 -18.5715 -18.5715 -5.3370 -5.3370 -3.5700 -3.5700 -3.1007 -3.1007 -0.9412 -0.9412 -0.7929 -0.7929 5.3301 5.3301 5.6626 5.6626 6.7826 6.7826 7.0386 7.0386 7.1045 7.1045 7.3009 7.3009 8.7379 8.7379 8.7573 8.7573 8.9711 8.9711 9.1422 9.1422 9.2697 9.2697 9.2875 9.2875 10.2286 10.2286 10.2645 10.2645 10.8454 10.8454 10.9684 10.9684 k = 0.0592 0.5468 0.7741 ( 9456 PWs) bands (ev): -68.8747 -68.8747 -68.8747 -68.8747 -38.6457 -38.6457 -38.6456 -38.6456 -37.4731 -37.4731 -37.4728 -37.4728 -37.4043 -37.4043 -37.4041 -37.4041 -18.5705 -18.5705 -5.3374 -5.3374 -3.5678 -3.5678 -3.1080 -3.1080 -0.9322 -0.9322 -0.7954 -0.7954 5.3439 5.3439 5.6460 5.6460 6.7695 6.7695 7.0225 7.0225 7.0993 7.0993 7.3137 7.3137 8.7144 8.7144 8.7372 8.7372 8.9524 8.9524 9.1432 9.1432 9.2849 9.2849 9.3054 9.3054 10.2165 10.2165 10.2394 10.2394 10.8588 10.8588 10.9218 10.9218 k = 0.0658 0.5317 0.7906 ( 9456 PWs) bands (ev): -68.8747 -68.8747 -68.8747 -68.8747 -38.6457 -38.6457 -38.6457 -38.6457 -37.4733 -37.4733 -37.4730 -37.4730 -37.4041 -37.4041 -37.4039 -37.4039 -18.5695 -18.5695 -5.3378 -5.3378 -3.5656 -3.5656 -3.1158 -3.1158 -0.9223 -0.9223 -0.7981 -0.7981 5.3585 5.3585 5.6280 5.6280 6.7549 6.7549 7.0013 7.0013 7.0957 7.0957 7.3289 7.3289 8.6892 8.6892 8.7189 8.7189 8.9305 8.9305 9.1399 9.1399 9.2993 9.2993 9.3255 9.3255 10.1906 10.1906 10.2233 10.2233 10.8632 10.8632 10.8883 10.8883 k = 0.0724 0.5166 0.8071 ( 9464 PWs) bands (ev): -68.8751 -68.8751 -68.8751 -68.8751 -38.6458 -38.6458 -38.6457 -38.6457 -37.4736 -37.4736 -37.4733 -37.4733 -37.4039 -37.4039 -37.4036 -37.4036 -18.5684 -18.5684 -5.3384 -5.3384 -3.5632 -3.5632 -3.1239 -3.1239 -0.9115 -0.9115 -0.8011 -0.8011 5.3733 5.3733 5.6088 5.6088 6.7394 6.7394 6.9757 6.9757 7.0919 7.0919 7.3478 7.3478 8.6606 8.6606 8.7014 8.7014 8.9079 8.9079 9.1332 9.1332 9.3126 9.3126 9.3432 9.3432 10.1588 10.1588 10.2090 10.2090 10.8455 10.8455 10.8778 10.8778 k = 0.0789 0.5015 0.8235 ( 9460 PWs) bands (ev): -68.8749 -68.8749 -68.8749 -68.8749 -38.6458 -38.6458 -38.6457 -38.6457 -37.4738 -37.4738 -37.4735 -37.4735 -37.4036 -37.4036 -37.4033 -37.4033 -18.5672 -18.5672 -5.3390 -5.3390 -3.5609 -3.5609 -3.1322 -3.1322 -0.8999 -0.8999 -0.8043 -0.8043 5.3880 5.3880 5.5887 5.5887 6.7228 6.7228 6.9482 6.9482 7.0894 7.0894 7.3695 7.3695 8.6352 8.6352 8.6857 8.6857 8.8856 8.8856 9.1241 9.1241 9.3276 9.3276 9.3635 9.3635 10.1288 10.1288 10.1928 10.1928 10.8251 10.8251 10.8764 10.8764 k = 0.0855 0.4864 0.8400 ( 9462 PWs) bands (ev): -68.8750 -68.8750 -68.8750 -68.8750 -38.6459 -38.6459 -38.6458 -38.6458 -37.4741 -37.4741 -37.4738 -37.4738 -37.4033 -37.4033 -37.4030 -37.4030 -18.5660 -18.5660 -5.3398 -5.3398 -3.5586 -3.5586 -3.1405 -3.1405 -0.8876 -0.8876 -0.8079 -0.8079 5.4025 5.4025 5.5681 5.5681 6.7057 6.7057 6.9198 6.9198 7.0864 7.0864 7.3927 7.3927 8.6090 8.6090 8.6710 8.6710 8.8601 8.8601 9.1100 9.1100 9.3404 9.3404 9.3833 9.3833 10.0975 10.0975 10.1715 10.1715 10.8126 10.8126 10.8754 10.8754 k = 0.0921 0.4713 0.8565 ( 9468 PWs) bands (ev): -68.8754 -68.8754 -68.8754 -68.8754 -38.6459 -38.6459 -38.6458 -38.6458 -37.4744 -37.4744 -37.4740 -37.4740 -37.4031 -37.4031 -37.4027 -37.4027 -18.5647 -18.5647 -5.3406 -5.3406 -3.5564 -3.5564 -3.1488 -3.1488 -0.8747 -0.8747 -0.8117 -0.8117 5.4158 5.4158 5.5470 5.5470 6.6874 6.6874 6.8911 6.8911 7.0828 7.0828 7.4177 7.4177 8.5830 8.5830 8.6550 8.6550 8.8351 8.8351 9.0924 9.0924 9.3541 9.3541 9.4016 9.4016 10.0661 10.0661 10.1481 10.1481 10.8048 10.8048 10.8701 10.8701 k = 0.0987 0.4562 0.8729 ( 9460 PWs) bands (ev): -68.8750 -68.8750 -68.8750 -68.8750 -38.6460 -38.6460 -38.6459 -38.6459 -37.4747 -37.4747 -37.4743 -37.4743 -37.4027 -37.4027 -37.4024 -37.4024 -18.5633 -18.5633 -5.3416 -5.3416 -3.5544 -3.5544 -3.1568 -3.1568 -0.8611 -0.8611 -0.8158 -0.8158 5.4280 5.4280 5.5256 5.5256 6.6692 6.6692 6.8634 6.8634 7.0794 7.0794 7.4456 7.4456 8.5592 8.5592 8.6415 8.6415 8.8112 8.8112 9.0730 9.0730 9.3674 9.3674 9.4233 9.4233 10.0390 10.0390 10.1244 10.1244 10.8014 10.8014 10.8648 10.8648 k = 0.1053 0.4411 0.8894 ( 9454 PWs) bands (ev): -68.8747 -68.8747 -68.8747 -68.8747 -38.6460 -38.6460 -38.6459 -38.6459 -37.4750 -37.4750 -37.4746 -37.4746 -37.4024 -37.4024 -37.4021 -37.4021 -18.5619 -18.5619 -5.3427 -5.3427 -3.5525 -3.5525 -3.1644 -3.1644 -0.8471 -0.8471 -0.8201 -0.8201 5.4384 5.4384 5.5042 5.5042 6.6503 6.6503 6.8376 6.8376 7.0749 7.0749 7.4744 7.4744 8.5362 8.5362 8.6299 8.6299 8.7873 8.7873 9.0504 9.0504 9.3804 9.3804 9.4423 9.4423 10.0109 10.0109 10.1002 10.1002 10.8001 10.8001 10.8572 10.8572 k = 0.1118 0.4260 0.9059 ( 9454 PWs) bands (ev): -68.8747 -68.8747 -68.8747 -68.8747 -38.6461 -38.6461 -38.6460 -38.6460 -37.4753 -37.4753 -37.4749 -37.4749 -37.4021 -37.4021 -37.4018 -37.4018 -18.5605 -18.5605 -5.3440 -5.3440 -3.5510 -3.5510 -3.1716 -3.1716 -0.8328 -0.8328 -0.8244 -0.8244 5.4466 5.4466 5.4830 5.4830 6.6311 6.6311 6.8137 6.8137 7.0688 7.0688 7.5048 7.5048 8.5126 8.5126 8.6190 8.6190 8.7627 8.7627 9.0254 9.0254 9.3923 9.3923 9.4576 9.4576 9.9815 9.9815 10.0749 10.0749 10.7999 10.7999 10.8486 10.8486 k = 0.1184 0.4109 0.9223 ( 9454 PWs) bands (ev): -68.8747 -68.8747 -68.8747 -68.8747 -38.6461 -38.6461 -38.6460 -38.6460 -37.4756 -37.4756 -37.4752 -37.4752 -37.4018 -37.4018 -37.4015 -37.4015 -18.5590 -18.5590 -5.3453 -5.3453 -3.5497 -3.5497 -3.1783 -3.1783 -0.8296 -0.8296 -0.8175 -0.8175 5.4514 5.4514 5.4627 5.4627 6.6117 6.6117 6.7926 6.7926 7.0621 7.0621 7.5364 7.5364 8.4905 8.4905 8.6084 8.6084 8.7404 8.7404 8.9990 8.9990 9.4021 9.4021 9.4721 9.4721 9.9533 9.9533 10.0490 10.0490 10.7976 10.7976 10.8383 10.8383 k = 0.1250 0.3958 0.9388 ( 9464 PWs) bands (ev): -68.8753 -68.8753 -68.8753 -68.8753 -38.6462 -38.6462 -38.6461 -38.6461 -37.4759 -37.4759 -37.4755 -37.4755 -37.4015 -37.4015 -37.4012 -37.4012 -18.5576 -18.5576 -5.3468 -5.3468 -3.5488 -3.5488 -3.1843 -3.1843 -0.8344 -0.8344 -0.8026 -0.8026 5.4401 5.4401 5.4560 5.4560 6.5922 6.5922 6.7747 6.7747 7.0543 7.0543 7.5684 7.5684 8.4681 8.4681 8.5970 8.5970 8.7168 8.7168 8.9701 8.9701 9.4102 9.4102 9.4841 9.4841 9.9239 9.9239 10.0215 10.0215 10.7925 10.7925 10.8272 10.8272 k = 0.1316 0.3807 0.9553 ( 9464 PWs) bands (ev): -68.8753 -68.8753 -68.8753 -68.8753 -38.6463 -38.6463 -38.6461 -38.6461 -37.4762 -37.4762 -37.4758 -37.4758 -37.4012 -37.4012 -37.4008 -37.4008 -18.5561 -18.5561 -5.3484 -5.3484 -3.5483 -3.5483 -3.1896 -3.1896 -0.8394 -0.8394 -0.7874 -0.7874 5.4202 5.4202 5.4550 5.4550 6.5729 6.5729 6.7610 6.7610 7.0460 7.0460 7.6016 7.6016 8.4474 8.4474 8.5879 8.5879 8.6957 8.6957 8.9414 8.9414 9.4180 9.4180 9.4976 9.4976 9.8993 9.8993 9.9953 9.9953 10.7860 10.7860 10.8162 10.8162 k = 0.1382 0.3656 0.9718 ( 9456 PWs) bands (ev): -68.8749 -68.8749 -68.8749 -68.8749 -38.6463 -38.6463 -38.6462 -38.6462 -37.4765 -37.4765 -37.4761 -37.4761 -37.4009 -37.4009 -37.4005 -37.4005 -18.5547 -18.5547 -5.3501 -5.3501 -3.5481 -3.5481 -3.1941 -3.1941 -0.8445 -0.8445 -0.7722 -0.7722 5.4009 5.4009 5.4513 5.4513 6.5541 6.5541 6.7513 6.7513 7.0374 7.0374 7.6364 7.6364 8.4289 8.4289 8.5812 8.5812 8.6767 8.6767 8.9133 8.9133 9.4235 9.4235 9.5111 9.5111 9.8768 9.8768 9.9676 9.9676 10.7800 10.7800 10.8079 10.8079 k = 0.1447 0.3505 0.9882 ( 9456 PWs) bands (ev): -68.8749 -68.8749 -68.8749 -68.8749 -38.6464 -38.6464 -38.6462 -38.6462 -37.4768 -37.4768 -37.4763 -37.4763 -37.4006 -37.4006 -37.4002 -37.4002 -18.5532 -18.5532 -5.3519 -5.3519 -3.5484 -3.5484 -3.1979 -3.1979 -0.8498 -0.8498 -0.7570 -0.7570 5.3823 5.3823 5.4444 5.4444 6.5353 6.5353 6.7461 6.7461 7.0280 7.0280 7.6717 7.6717 8.4098 8.4098 8.5728 8.5728 8.6567 8.6567 8.8816 8.8816 9.4305 9.4305 9.5219 9.5219 9.8542 9.8542 9.9414 9.9414 10.7716 10.7716 10.7981 10.7981 k = 0.1513 0.3354 1.0047 ( 9456 PWs) bands (ev): -68.8749 -68.8749 -68.8749 -68.8749 -38.6464 -38.6464 -38.6463 -38.6463 -37.4770 -37.4770 -37.4766 -37.4766 -37.4003 -37.4003 -37.3999 -37.3999 -18.5518 -18.5518 -5.3537 -5.3537 -3.5490 -3.5490 -3.2009 -3.2009 -0.8550 -0.8550 -0.7420 -0.7420 5.3644 5.3644 5.4347 5.4347 6.5167 6.5167 6.7450 6.7450 7.0179 7.0179 7.7072 7.7072 8.3915 8.3915 8.5681 8.5681 8.6384 8.6384 8.8523 8.8523 9.4338 9.4338 9.5305 9.5305 9.8326 9.8326 9.9125 9.9125 10.7616 10.7616 10.7876 10.7876 k = 0.1579 0.3203 1.0212 ( 9458 PWs) bands (ev): -68.8751 -68.8751 -68.8751 -68.8751 -38.6465 -38.6465 -38.6463 -38.6463 -37.4773 -37.4773 -37.4769 -37.4769 -37.4000 -37.4000 -37.3996 -37.3996 -18.5505 -18.5505 -5.3556 -5.3556 -3.5499 -3.5499 -3.2032 -3.2032 -0.8603 -0.8603 -0.7272 -0.7272 5.3473 5.3473 5.4222 5.4222 6.4983 6.4983 6.7478 6.7478 7.0075 7.0075 7.7427 7.7427 8.3747 8.3747 8.5625 8.5625 8.6226 8.6226 8.8221 8.8221 9.4353 9.4353 9.5385 9.5385 9.8138 9.8138 9.8828 9.8828 10.7499 10.7499 10.7758 10.7758 k = 0.1645 0.3052 1.0376 ( 9462 PWs) bands (ev): -68.8753 -68.8753 -68.8753 -68.8753 -38.6465 -38.6465 -38.6464 -38.6464 -37.4776 -37.4776 -37.4772 -37.4772 -37.3997 -37.3997 -37.3993 -37.3993 -18.5492 -18.5492 -5.3576 -5.3576 -3.5511 -3.5511 -3.2048 -3.2048 -0.8655 -0.8655 -0.7129 -0.7129 5.3314 5.3314 5.4077 5.4077 6.4806 6.4806 6.7542 6.7542 6.9968 6.9968 7.7788 7.7788 8.3584 8.3584 8.5560 8.5560 8.6080 8.6080 8.7917 8.7917 9.4344 9.4344 9.5432 9.5432 9.7947 9.7947 9.8524 9.8524 10.7421 10.7421 10.7670 10.7670 k = 0.1711 0.2901 1.0541 ( 9466 PWs) bands (ev): -68.8755 -68.8755 -68.8755 -68.8755 -38.6466 -38.6466 -38.6464 -38.6464 -37.4778 -37.4778 -37.4774 -37.4774 -37.3995 -37.3995 -37.3991 -37.3991 -18.5479 -18.5479 -5.3595 -5.3595 -3.5525 -3.5525 -3.2058 -3.2058 -0.8706 -0.8706 -0.6990 -0.6990 5.3165 5.3165 5.3916 5.3916 6.4635 6.4635 6.7637 6.7637 6.9858 6.9858 7.8148 7.8148 8.3438 8.3438 8.5494 8.5494 8.5951 8.5951 8.7608 8.7608 9.4345 9.4345 9.5439 9.5439 9.7766 9.7766 9.8245 9.8245 10.7337 10.7337 10.7577 10.7577 k = 0.1776 0.2750 1.0706 ( 9462 PWs) bands (ev): -68.8753 -68.8753 -68.8753 -68.8753 -38.6466 -38.6466 -38.6465 -38.6465 -37.4780 -37.4780 -37.4776 -37.4776 -37.3992 -37.3992 -37.3988 -37.3988 -18.5467 -18.5467 -5.3614 -5.3614 -3.5541 -3.5541 -3.2063 -3.2063 -0.8756 -0.8756 -0.6858 -0.6858 5.3026 5.3026 5.3745 5.3745 6.4474 6.4474 6.7757 6.7757 6.9751 6.9751 7.8516 7.8516 8.3313 8.3313 8.5433 8.5433 8.5858 8.5858 8.7322 8.7322 9.4354 9.4354 9.5441 9.5441 9.7614 9.7614 9.7988 9.7988 10.7260 10.7260 10.7484 10.7484 k = 0.1842 0.2599 1.0870 ( 9462 PWs) bands (ev): -68.8753 -68.8753 -68.8753 -68.8753 -38.6466 -38.6466 -38.6465 -38.6465 -37.4782 -37.4782 -37.4779 -37.4779 -37.3990 -37.3990 -37.3986 -37.3986 -18.5456 -18.5456 -5.3633 -5.3633 -3.5558 -3.5558 -3.2063 -3.2063 -0.8803 -0.8803 -0.6733 -0.6733 5.2899 5.2899 5.3570 5.3570 6.4321 6.4321 6.7894 6.7894 6.9645 6.9645 7.8875 7.8875 8.3201 8.3201 8.5350 8.5350 8.5785 8.5785 8.7025 8.7025 9.4330 9.4330 9.5386 9.5386 9.7473 9.7473 9.7752 9.7752 10.7214 10.7214 10.7420 10.7420 k = 0.1908 0.2448 1.1035 ( 9462 PWs) bands (ev): -68.8753 -68.8753 -68.8753 -68.8753 -38.6467 -38.6467 -38.6466 -38.6466 -37.4784 -37.4784 -37.4781 -37.4781 -37.3988 -37.3988 -37.3984 -37.3984 -18.5445 -18.5445 -5.3651 -5.3651 -3.5575 -3.5575 -3.2060 -3.2060 -0.8848 -0.8848 -0.6616 -0.6616 5.2779 5.2779 5.3396 5.3396 6.4179 6.4179 6.8042 6.8042 6.9545 6.9545 7.9231 7.9231 8.3104 8.3104 8.5273 8.5273 8.5740 8.5740 8.6747 8.6747 9.4284 9.4284 9.5311 9.5311 9.7347 9.7347 9.7541 9.7541 10.7161 10.7161 10.7351 10.7351 k = 0.1974 0.2297 1.1200 ( 9460 PWs) bands (ev): -68.8752 -68.8752 -68.8752 -68.8752 -38.6467 -38.6467 -38.6466 -38.6466 -37.4786 -37.4786 -37.4782 -37.4782 -37.3986 -37.3986 -37.3982 -37.3982 -18.5436 -18.5436 -5.3668 -5.3668 -3.5592 -3.5592 -3.2054 -3.2054 -0.8890 -0.8890 -0.6509 -0.6509 5.2667 5.2667 5.3231 5.3231 6.4047 6.4047 6.8195 6.8195 6.9450 6.9450 7.9577 7.9577 8.3019 8.3019 8.5210 8.5210 8.5722 8.5722 8.6485 8.6485 9.4248 9.4248 9.5189 9.5189 9.7231 9.7231 9.7390 9.7390 10.7093 10.7093 10.7273 10.7273 k = 0.2039 0.2146 1.1365 ( 9460 PWs) bands (ev): -68.8752 -68.8752 -68.8752 -68.8752 -38.6467 -38.6467 -38.6466 -38.6466 -37.4788 -37.4788 -37.4784 -37.4784 -37.3985 -37.3985 -37.3980 -37.3980 -18.5427 -18.5427 -5.3683 -5.3683 -3.5609 -3.5609 -3.2046 -3.2046 -0.8928 -0.8928 -0.6411 -0.6411 5.2566 5.2566 5.3080 5.3080 6.3929 6.3929 6.8346 6.8346 6.9361 6.9361 7.9906 7.9906 8.2961 8.2961 8.5130 8.5130 8.5706 8.5706 8.6213 8.6213 9.4211 9.4211 9.5016 9.5016 9.7133 9.7133 9.7274 9.7274 10.7060 10.7060 10.7224 10.7224 k = 0.2105 0.1995 1.1529 ( 9466 PWs) bands (ev): -68.8755 -68.8755 -68.8755 -68.8755 -38.6468 -38.6468 -38.6467 -38.6467 -37.4789 -37.4789 -37.4785 -37.4785 -37.3983 -37.3983 -37.3979 -37.3979 -18.5420 -18.5420 -5.3698 -5.3698 -3.5624 -3.5624 -3.2037 -3.2037 -0.8962 -0.8962 -0.6325 -0.6325 5.2471 5.2471 5.2945 5.2945 6.3823 6.3823 6.8488 6.8488 6.9282 6.9282 8.0211 8.0211 8.2922 8.2922 8.5058 8.5058 8.5689 8.5689 8.5946 8.5946 9.4150 9.4150 9.4817 9.4817 9.7045 9.7045 9.7173 9.7173 10.7026 10.7026 10.7177 10.7177 k = 0.2171 0.1844 1.1694 ( 9466 PWs) bands (ev): -68.8755 -68.8755 -68.8755 -68.8755 -38.6468 -38.6468 -38.6467 -38.6467 -37.4790 -37.4790 -37.4787 -37.4787 -37.3982 -37.3982 -37.3978 -37.3978 -18.5413 -18.5413 -5.3710 -5.3710 -3.5638 -3.5638 -3.2029 -3.2029 -0.8992 -0.8992 -0.6250 -0.6250 5.2384 5.2384 5.2831 5.2831 6.3734 6.3734 6.8617 6.8617 6.9212 6.9212 8.0487 8.0487 8.2925 8.2925 8.5006 8.5006 8.5661 8.5661 8.5730 8.5730 9.4099 9.4099 9.4608 9.4608 9.7001 9.7001 9.7105 9.7105 10.6990 10.6990 10.7130 10.7130 k = 0.2237 0.1693 1.1859 ( 9458 PWs) bands (ev): -68.8751 -68.8751 -68.8751 -68.8751 -38.6468 -38.6468 -38.6467 -38.6467 -37.4791 -37.4791 -37.4788 -37.4788 -37.3981 -37.3981 -37.3976 -37.3976 -18.5408 -18.5408 -5.3720 -5.3720 -3.5650 -3.5650 -3.2021 -3.2021 -0.9017 -0.9017 -0.6188 -0.6188 5.2310 5.2310 5.2742 5.2742 6.3660 6.3660 6.8727 6.8727 6.9158 6.9158 8.0726 8.0726 8.2954 8.2954 8.4970 8.4970 8.5458 8.5458 8.5712 8.5712 9.4060 9.4060 9.4426 9.4426 9.6990 9.6990 9.7071 9.7071 10.6991 10.6991 10.7123 10.7123 k = 0.2303 0.1542 1.2023 ( 9454 PWs) bands (ev): -68.8749 -68.8749 -68.8749 -68.8749 -38.6468 -38.6468 -38.6467 -38.6467 -37.4792 -37.4792 -37.4788 -37.4788 -37.3980 -37.3980 -37.3975 -37.3975 -18.5404 -18.5404 -5.3729 -5.3729 -3.5659 -3.5659 -3.2014 -3.2014 -0.9036 -0.9036 -0.6140 -0.6140 5.2247 5.2247 5.2675 5.2675 6.3602 6.3602 6.8812 6.8812 6.9119 6.9119 8.0916 8.0916 8.3012 8.3012 8.4932 8.4932 8.5238 8.5238 8.5718 8.5718 9.4031 9.4031 9.4273 9.4273 9.6987 9.6987 9.7043 9.7043 10.6983 10.6983 10.7109 10.7109 k = 0.2368 0.1391 1.2188 ( 9444 PWs) bands (ev): -68.8744 -68.8744 -68.8744 -68.8744 -38.6468 -38.6468 -38.6467 -38.6467 -37.4792 -37.4792 -37.4789 -37.4789 -37.3979 -37.3979 -37.3975 -37.3975 -18.5401 -18.5401 -5.3735 -5.3735 -3.5666 -3.5666 -3.2009 -3.2009 -0.9051 -0.9051 -0.6104 -0.6104 5.2201 5.2201 5.2630 5.2630 6.3560 6.3560 6.8868 6.8868 6.9099 6.9099 8.1053 8.1053 8.3089 8.3089 8.4908 8.4908 8.5060 8.5060 8.5728 8.5728 9.4019 9.4019 9.4175 9.4175 9.6998 9.6998 9.7033 9.7033 10.6999 10.6999 10.7120 10.7120 k = 0.2434 0.1240 1.2353 ( 9432 PWs) bands (ev): -68.8738 -68.8738 -68.8738 -68.8738 -38.6468 -38.6468 -38.6467 -38.6467 -37.4792 -37.4792 -37.4789 -37.4789 -37.3978 -37.3978 -37.3974 -37.3974 -18.5399 -18.5399 -5.3738 -5.3738 -3.5670 -3.5670 -3.2006 -3.2006 -0.9059 -0.9059 -0.6083 -0.6083 5.2174 5.2174 5.2606 5.2606 6.3536 6.3536 6.8898 6.8898 6.9095 6.9095 8.1134 8.1134 8.3157 8.3157 8.4892 8.4892 8.4941 8.4941 8.5747 8.5747 9.4016 9.4016 9.4142 9.4142 9.7004 9.7004 9.7024 9.7024 10.7028 10.7028 10.7147 10.7147 k = 0.2500 0.1089 1.2518 ( 9440 PWs) bands (ev): -68.8742 -68.8742 -68.8742 -68.8742 -38.6468 -38.6468 -38.6467 -38.6467 -37.4793 -37.4793 -37.4789 -37.4789 -37.3978 -37.3978 -37.3974 -37.3974 -18.5398 -18.5398 -5.3740 -5.3740 -3.5671 -3.5671 -3.2004 -3.2004 -0.9062 -0.9062 -0.6076 -0.6076 5.2161 5.2161 5.2594 5.2594 6.3528 6.3528 6.8904 6.8904 6.9094 6.9094 8.1160 8.1160 8.3181 8.3181 8.4877 8.4877 8.4892 8.4892 8.5747 8.5747 9.3989 9.3989 9.4112 9.4112 9.6986 9.6986 9.6997 9.6997 10.7000 10.7000 10.7117 10.7117 k = 0.2500 0.1089 1.2518 ( 9440 PWs) bands (ev): -68.8742 -68.8742 -68.8742 -68.8742 -38.6468 -38.6468 -38.6467 -38.6467 -37.4793 -37.4793 -37.4789 -37.4789 -37.3978 -37.3978 -37.3974 -37.3974 -18.5398 -18.5398 -5.3740 -5.3740 -3.5671 -3.5671 -3.2004 -3.2004 -0.9062 -0.9062 -0.6076 -0.6076 5.2161 5.2161 5.2594 5.2594 6.3528 6.3528 6.8904 6.8904 6.9094 6.9094 8.1160 8.1160 8.3181 8.3181 8.4877 8.4877 8.4892 8.4892 8.5747 8.5747 9.3989 9.3989 9.4112 9.4112 9.6986 9.6986 9.6997 9.6997 10.7000 10.7000 10.7117 10.7117 k = 0.2692 0.1173 1.2426 ( 9441 PWs) bands (ev): -68.8746 -68.8746 -68.8739 -68.8739 -38.6468 -38.6468 -38.6468 -38.6468 -37.4793 -37.4793 -37.4789 -37.4789 -37.3979 -37.3979 -37.3974 -37.3974 -18.5399 -18.5399 -5.3739 -5.3739 -3.5671 -3.5671 -3.2005 -3.2005 -0.9061 -0.9061 -0.6077 -0.6077 5.2090 5.2090 5.2679 5.2679 6.3527 6.3527 6.8653 6.8653 6.9340 6.9340 8.1164 8.1164 8.3166 8.3166 8.4813 8.4813 8.4943 8.4943 8.5742 8.5742 9.3928 9.3928 9.4184 9.4184 9.6968 9.6968 9.7022 9.7022 10.6990 10.6990 10.7134 10.7134 k = 0.2885 0.1257 1.2335 ( 9453 PWs) bands (ev): -68.8751 -68.8751 -68.8746 -68.8746 -38.6468 -38.6468 -38.6468 -38.6468 -37.4793 -37.4793 -37.4789 -37.4789 -37.3979 -37.3979 -37.3975 -37.3975 -18.5399 -18.5399 -5.3739 -5.3739 -3.5671 -3.5671 -3.2005 -3.2005 -0.9060 -0.9060 -0.6081 -0.6081 5.1944 5.1944 5.2856 5.2856 6.3525 6.3525 6.8328 6.8328 6.9644 6.9644 8.1173 8.1173 8.3113 8.3113 8.4738 8.4738 8.5033 8.5033 8.5729 8.5729 9.3820 9.3820 9.4296 9.4296 9.6939 9.6939 9.6966 9.6966 10.6903 10.6903 10.7178 10.7178 k = 0.3077 0.1341 1.2243 ( 9452 PWs) bands (ev): -68.8752 -68.8752 -68.8744 -68.8744 -38.6468 -38.6468 -38.6468 -38.6468 -37.4792 -37.4792 -37.4789 -37.4789 -37.3979 -37.3979 -37.3975 -37.3975 -18.5399 -18.5399 -5.3738 -5.3738 -3.5669 -3.5669 -3.2006 -3.2006 -0.9057 -0.9057 -0.6087 -0.6087 5.1789 5.1789 5.3064 5.3064 6.3522 6.3522 6.8002 6.8002 6.9935 6.9935 8.1182 8.1182 8.3050 8.3050 8.4730 8.4730 8.5128 8.5128 8.5730 8.5730 9.3698 9.3698 9.4432 9.4432 9.6955 9.6955 9.6972 9.6972 10.6838 10.6838 10.7217 10.7217 k = 0.3269 0.1424 1.2152 ( 9468 PWs) bands (ev): -68.8757 -68.8757 -68.8756 -68.8756 -38.6468 -38.6468 -38.6468 -38.6468 -37.4792 -37.4792 -37.4790 -37.4790 -37.3979 -37.3979 -37.3975 -37.3975 -18.5400 -18.5400 -5.3737 -5.3737 -3.5668 -3.5668 -3.2007 -3.2007 -0.9053 -0.9053 -0.6098 -0.6098 5.1646 5.1646 5.3277 5.3277 6.3517 6.3517 6.7686 6.7686 7.0202 7.0202 8.1187 8.1187 8.2952 8.2952 8.4719 8.4719 8.5152 8.5152 8.5705 8.5705 9.3594 9.3594 9.4549 9.4549 9.6948 9.6948 9.6968 9.6968 10.6775 10.6775 10.7196 10.7196 k = 0.3462 0.1508 1.2061 ( 9475 PWs) bands (ev): -68.8765 -68.8765 -68.8755 -68.8755 -38.6468 -38.6468 -38.6468 -38.6468 -37.4792 -37.4792 -37.4790 -37.4790 -37.3980 -37.3980 -37.3975 -37.3975 -18.5401 -18.5401 -5.3735 -5.3735 -3.5666 -3.5666 -3.2009 -3.2009 -0.9046 -0.9046 -0.6112 -0.6112 5.1524 5.1524 5.3496 5.3496 6.3514 6.3514 6.7385 6.7385 7.0442 7.0442 8.1182 8.1182 8.2855 8.2855 8.4748 8.4748 8.5213 8.5213 8.5679 8.5679 9.3508 9.3508 9.4644 9.4644 9.6936 9.6936 9.6963 9.6963 10.6728 10.6728 10.7230 10.7230 k = 0.3654 0.1592 1.1969 ( 9485 PWs) bands (ev): -68.8771 -68.8771 -68.8759 -68.8759 -38.6469 -38.6469 -38.6467 -38.6467 -37.4791 -37.4791 -37.4791 -37.4791 -37.3980 -37.3980 -37.3975 -37.3975 -18.5402 -18.5402 -5.3733 -5.3733 -3.5663 -3.5663 -3.2011 -3.2011 -0.9037 -0.9037 -0.6129 -0.6129 5.1423 5.1423 5.3709 5.3709 6.3510 6.3510 6.7103 6.7103 7.0654 7.0654 8.1156 8.1156 8.2755 8.2755 8.4778 8.4778 8.5273 8.5273 8.5655 8.5655 9.3424 9.3424 9.4758 9.4758 9.6927 9.6927 9.6954 9.6954 10.6666 10.6666 10.7240 10.7240 k = 0.3846 0.1676 1.1878 ( 9487 PWs) bands (ev): -68.8771 -68.8771 -68.8761 -68.8761 -38.6469 -38.6469 -38.6467 -38.6467 -37.4791 -37.4791 -37.4790 -37.4790 -37.3981 -37.3981 -37.3975 -37.3975 -18.5403 -18.5403 -5.3730 -5.3730 -3.5660 -3.5660 -3.2014 -3.2014 -0.9026 -0.9026 -0.6151 -0.6151 5.1347 5.1347 5.3919 5.3919 6.3508 6.3508 6.6848 6.6848 7.0835 7.0835 8.1102 8.1102 8.2667 8.2667 8.4839 8.4839 8.5339 8.5339 8.5656 8.5656 9.3359 9.3359 9.4870 9.4870 9.6924 9.6924 9.6959 9.6959 10.6612 10.6612 10.7272 10.7272 k = 0.4038 0.1760 1.1786 ( 9489 PWs) bands (ev): -68.8768 -68.8768 -68.8767 -68.8767 -38.6469 -38.6469 -38.6467 -38.6467 -37.4792 -37.4792 -37.4789 -37.4789 -37.3981 -37.3981 -37.3976 -37.3976 -18.5404 -18.5404 -5.3727 -5.3727 -3.5657 -3.5657 -3.2016 -3.2016 -0.9013 -0.9013 -0.6176 -0.6176 5.1292 5.1292 5.4115 5.4115 6.3506 6.3506 6.6624 6.6624 7.0982 7.0982 8.1016 8.1016 8.2582 8.2582 8.4926 8.4926 8.5423 8.5423 8.5670 8.5670 9.3297 9.3297 9.4984 9.4984 9.6894 9.6894 9.6964 9.6964 10.6552 10.6552 10.7299 10.7299 k = 0.4231 0.1843 1.1695 ( 9488 PWs) bands (ev): -68.8767 -68.8767 -68.8767 -68.8767 -38.6470 -38.6470 -38.6466 -38.6466 -37.4792 -37.4792 -37.4788 -37.4788 -37.3981 -37.3981 -37.3976 -37.3976 -18.5406 -18.5406 -5.3724 -5.3724 -3.5653 -3.5653 -3.2020 -3.2020 -0.8997 -0.8997 -0.6205 -0.6205 5.1269 5.1269 5.4294 5.4294 6.3507 6.3507 6.6437 6.6437 7.1093 7.1093 8.0892 8.0892 8.2527 8.2527 8.5023 8.5023 8.5463 8.5463 8.5664 8.5664 9.3270 9.3270 9.5079 9.5079 9.6889 9.6889 9.7005 9.7005 10.6540 10.6540 10.7313 10.7313 k = 0.4423 0.1927 1.1604 ( 9494 PWs) bands (ev): -68.8773 -68.8773 -68.8766 -68.8766 -38.6470 -38.6470 -38.6466 -38.6466 -37.4792 -37.4792 -37.4787 -37.4787 -37.3982 -37.3982 -37.3976 -37.3976 -18.5408 -18.5408 -5.3721 -5.3721 -3.5648 -3.5648 -3.2023 -3.2023 -0.8980 -0.8980 -0.6238 -0.6238 5.1268 5.1268 5.4449 5.4449 6.3510 6.3510 6.6289 6.6289 7.1166 7.1166 8.0734 8.0734 8.2488 8.2488 8.5135 8.5135 8.5520 8.5520 8.5654 8.5654 9.3234 9.3234 9.5164 9.5164 9.6827 9.6827 9.7014 9.7014 10.6498 10.6498 10.7343 10.7343 k = 0.4615 0.2011 1.1512 ( 9498 PWs) bands (ev): -68.8773 -68.8773 -68.8770 -68.8770 -38.6471 -38.6471 -38.6465 -38.6465 -37.4793 -37.4793 -37.4786 -37.4786 -37.3983 -37.3983 -37.3976 -37.3976 -18.5410 -18.5410 -5.3717 -5.3717 -3.5643 -3.5643 -3.2027 -3.2027 -0.8961 -0.8961 -0.6275 -0.6275 5.1291 5.1291 5.4576 5.4576 6.3519 6.3519 6.6185 6.6185 7.1199 7.1199 8.0551 8.0551 8.2476 8.2476 8.5253 8.5253 8.5565 8.5565 8.5648 8.5648 9.3223 9.3223 9.5225 9.5225 9.6821 9.6821 9.7001 9.7001 10.6481 10.6481 10.7343 10.7343 k = 0.4808 0.2095 1.1421 ( 9498 PWs) bands (ev): -68.8775 -68.8775 -68.8768 -68.8768 -38.6471 -38.6471 -38.6464 -38.6464 -37.4794 -37.4794 -37.4785 -37.4785 -37.3983 -37.3983 -37.3977 -37.3977 -18.5412 -18.5412 -5.3712 -5.3712 -3.5638 -3.5638 -3.2032 -3.2032 -0.8940 -0.8940 -0.6314 -0.6314 5.1340 5.1340 5.4677 5.4677 6.3531 6.3531 6.6129 6.6129 7.1193 7.1193 8.0349 8.0349 8.2465 8.2465 8.5355 8.5355 8.5607 8.5607 8.5687 8.5687 9.3237 9.3237 9.5282 9.5282 9.6809 9.6809 9.7020 9.7020 10.6473 10.6473 10.7350 10.7350 k = 0.5000 0.2179 1.1329 ( 9498 PWs) bands (ev): -68.8773 -68.8773 -68.8770 -68.8770 -38.6472 -38.6472 -38.6463 -38.6463 -37.4794 -37.4794 -37.4783 -37.4783 -37.3984 -37.3984 -37.3977 -37.3977 -18.5414 -18.5414 -5.3708 -5.3708 -3.5632 -3.5632 -3.2036 -3.2036 -0.8918 -0.8918 -0.6355 -0.6355 5.1408 5.1408 5.4747 5.4747 6.3549 6.3549 6.6119 6.6119 7.1143 7.1143 8.0151 8.0151 8.2469 8.2469 8.5452 8.5452 8.5615 8.5615 8.5768 8.5768 9.3237 9.3237 9.5299 9.5299 9.6817 9.6817 9.7031 9.7031 10.6510 10.6510 10.7349 10.7349 k = 0.5000 0.2179 1.1329 ( 9498 PWs) bands (ev): -68.8773 -68.8773 -68.8770 -68.8770 -38.6472 -38.6472 -38.6463 -38.6463 -37.4794 -37.4794 -37.4783 -37.4783 -37.3984 -37.3984 -37.3977 -37.3977 -18.5414 -18.5414 -5.3708 -5.3708 -3.5632 -3.5632 -3.2036 -3.2036 -0.8918 -0.8918 -0.6355 -0.6355 5.1408 5.1408 5.4747 5.4747 6.3549 6.3549 6.6119 6.6119 7.1143 7.1143 8.0151 8.0151 8.2469 8.2469 8.5452 8.5452 8.5615 8.5615 8.5768 8.5768 9.3237 9.3237 9.5299 9.5299 9.6817 9.6817 9.7031 9.7031 10.6510 10.6510 10.7349 10.7349 k = 0.5000 0.2179 1.1098 ( 9494 PWs) bands (ev): -68.8770 -68.8770 -68.8769 -68.8769 -38.6474 -38.6474 -38.6461 -38.6461 -37.4796 -37.4796 -37.4779 -37.4779 -37.3986 -37.3986 -37.3977 -37.3977 -18.5421 -18.5421 -5.3694 -5.3694 -3.5614 -3.5614 -3.2050 -3.2050 -0.8858 -0.8858 -0.6470 -0.6470 5.1630 5.1630 5.4891 5.4891 6.3610 6.3610 6.6162 6.6162 7.0958 7.0958 7.9616 7.9616 8.2507 8.2507 8.5537 8.5537 8.5705 8.5705 8.6046 8.6046 9.3301 9.3301 9.5410 9.5410 9.6823 9.6823 9.7081 9.7081 10.6575 10.6575 10.7344 10.7344 k = 0.5000 0.2179 1.0867 ( 9482 PWs) bands (ev): -68.8764 -68.8764 -68.8762 -68.8762 -38.6475 -38.6475 -38.6459 -38.6459 -37.4798 -37.4798 -37.4774 -37.4774 -37.3988 -37.3988 -37.3977 -37.3977 -18.5429 -18.5429 -5.3678 -5.3678 -3.5593 -3.5593 -3.2065 -3.2065 -0.8790 -0.8790 -0.6603 -0.6603 5.1892 5.1892 5.5061 5.5061 6.3679 6.3679 6.6211 6.6211 7.0751 7.0751 7.9069 7.9069 8.2563 8.2563 8.5541 8.5541 8.5849 8.5849 8.6401 8.6401 9.3365 9.3365 9.5538 9.5538 9.6810 9.6810 9.7161 9.7161 10.6708 10.6708 10.7351 10.7351 k = 0.5000 0.2179 1.0636 ( 9480 PWs) bands (ev): -68.8763 -68.8763 -68.8761 -68.8761 -38.6478 -38.6478 -38.6456 -38.6456 -37.4801 -37.4801 -37.4768 -37.4768 -37.3991 -37.3991 -37.3978 -37.3978 -18.5437 -18.5437 -5.3659 -5.3659 -3.5569 -3.5569 -3.2083 -3.2083 -0.8715 -0.8715 -0.6752 -0.6752 5.2179 5.2179 5.5255 5.5255 6.3752 6.3752 6.6266 6.6266 7.0524 7.0524 7.8513 7.8513 8.2606 8.2606 8.5520 8.5520 8.5971 8.5971 8.6769 8.6769 9.3423 9.3423 9.5690 9.5690 9.6794 9.6794 9.7233 9.7233 10.6807 10.6807 10.7346 10.7346 k = 0.5000 0.2179 1.0405 ( 9490 PWs) bands (ev): -68.8770 -68.8770 -68.8763 -68.8763 -38.6480 -38.6480 -38.6453 -38.6453 -37.4804 -37.4804 -37.4762 -37.4762 -37.3994 -37.3994 -37.3979 -37.3979 -18.5447 -18.5447 -5.3638 -5.3638 -3.5540 -3.5540 -3.2104 -3.2104 -0.8635 -0.8635 -0.6915 -0.6915 5.2498 5.2498 5.5472 5.5472 6.3826 6.3826 6.6324 6.6324 7.0286 7.0286 7.7935 7.7935 8.2636 8.2636 8.5489 8.5489 8.6107 8.6107 8.7113 8.7113 9.3471 9.3471 9.5869 9.5869 9.6719 9.6719 9.7287 9.7287 10.6898 10.6898 10.7330 10.7330 k = 0.5000 0.2179 1.0173 ( 9478 PWs) bands (ev): -68.8771 -68.8771 -68.8750 -68.8750 -38.6483 -38.6483 -38.6449 -38.6449 -37.4806 -37.4806 -37.4755 -37.4755 -37.3997 -37.3997 -37.3980 -37.3980 -18.5458 -18.5458 -5.3615 -5.3615 -3.5508 -3.5508 -3.2126 -3.2126 -0.8550 -0.8550 -0.7090 -0.7090 5.2839 5.2839 5.5719 5.5719 6.3903 6.3903 6.6391 6.6391 7.0040 7.0040 7.7370 7.7370 8.2691 8.2691 8.5463 8.5463 8.6267 8.6267 8.7492 8.7492 9.3541 9.3541 9.6079 9.6079 9.6679 9.6679 9.7470 9.7470 10.7003 10.7003 10.7375 10.7375 k = 0.5000 0.2179 0.9942 ( 9482 PWs) bands (ev): -68.8776 -68.8776 -68.8748 -68.8748 -38.6486 -38.6486 -38.6445 -38.6445 -37.4810 -37.4810 -37.4748 -37.4748 -37.4000 -37.4000 -37.3981 -37.3981 -18.5470 -18.5470 -5.3589 -5.3589 -3.5471 -3.5471 -3.2151 -3.2151 -0.8462 -0.8462 -0.7275 -0.7275 5.3202 5.3202 5.5985 5.5985 6.3974 6.3974 6.6459 6.6459 6.9792 6.9792 7.6802 7.6802 8.2743 8.2743 8.5413 8.5413 8.6461 8.6461 8.7852 8.7852 9.3591 9.3591 9.6284 9.6284 9.6633 9.6633 9.7546 9.7546 10.7122 10.7122 10.7375 10.7375 k = 0.5000 0.2179 0.9711 ( 9478 PWs) bands (ev): -68.8768 -68.8768 -68.8751 -68.8751 -38.6489 -38.6489 -38.6441 -38.6441 -37.4814 -37.4814 -37.4739 -37.4739 -37.4004 -37.4004 -37.3982 -37.3982 -18.5483 -18.5483 -5.3561 -5.3561 -3.5430 -3.5430 -3.2178 -3.2178 -0.8374 -0.8374 -0.7469 -0.7469 5.3590 5.3590 5.6273 5.6273 6.4040 6.4040 6.6531 6.6531 6.9552 6.9552 7.6240 7.6240 8.2833 8.2833 8.5355 8.5355 8.6648 8.6648 8.8209 8.8209 9.3691 9.3691 9.6510 9.6510 9.6645 9.6645 9.7613 9.7613 10.7276 10.7276 10.7375 10.7375 k = 0.5000 0.2179 0.9480 ( 9478 PWs) bands (ev): -68.8770 -68.8770 -68.8749 -68.8749 -38.6493 -38.6493 -38.6437 -38.6437 -37.4818 -37.4818 -37.4730 -37.4730 -37.4007 -37.4007 -37.3983 -37.3983 -18.5497 -18.5497 -5.3531 -5.3531 -3.5384 -3.5384 -3.2207 -3.2207 -0.8288 -0.8288 -0.7668 -0.7668 5.3983 5.3983 5.6584 5.6584 6.4090 6.4090 6.6607 6.6607 6.9327 6.9327 7.5686 7.5686 8.2913 8.2913 8.5273 8.5273 8.6845 8.6845 8.8569 8.8569 9.3800 9.3800 9.6558 9.6558 9.6827 9.6827 9.7759 9.7759 10.7302 10.7302 10.7461 10.7461 k = 0.5000 0.2179 0.9248 ( 9464 PWs) bands (ev): -68.8763 -68.8763 -68.8741 -68.8741 -38.6496 -38.6496 -38.6432 -38.6432 -37.4823 -37.4823 -37.4721 -37.4721 -37.4011 -37.4011 -37.3984 -37.3984 -18.5512 -18.5512 -5.3498 -5.3498 -3.5334 -3.5334 -3.2238 -3.2238 -0.8213 -0.8213 -0.7862 -0.7862 5.4392 5.4392 5.6920 5.6920 6.4123 6.4123 6.6684 6.6684 6.9130 6.9130 7.5149 7.5149 8.3049 8.3049 8.5208 8.5208 8.7054 8.7054 8.8951 8.8951 9.3870 9.3870 9.6552 9.6552 9.7143 9.7143 9.7944 9.7944 10.7320 10.7320 10.7617 10.7617 k = 0.5000 0.2179 0.9017 ( 9462 PWs) bands (ev): -68.8758 -68.8758 -68.8744 -68.8744 -38.6501 -38.6501 -38.6427 -38.6427 -37.4828 -37.4828 -37.4711 -37.4711 -37.4015 -37.4015 -37.3985 -37.3985 -18.5528 -18.5528 -5.3463 -5.3463 -3.5278 -3.5278 -3.2271 -3.2271 -0.8205 -0.8205 -0.7998 -0.7998 5.4811 5.4811 5.7274 5.7274 6.4125 6.4125 6.6762 6.6762 6.8964 6.8964 7.4622 7.4622 8.3143 8.3143 8.5118 8.5118 8.7233 8.7233 8.9311 8.9311 9.4004 9.4004 9.6514 9.6514 9.7446 9.7446 9.8127 9.8127 10.7299 10.7299 10.7850 10.7850 k = 0.5000 0.2179 0.8786 ( 9456 PWs) bands (ev): -68.8753 -68.8753 -68.8742 -68.8742 -38.6505 -38.6505 -38.6421 -38.6421 -37.4833 -37.4833 -37.4700 -37.4700 -37.4019 -37.4019 -37.3986 -37.3986 -18.5544 -18.5544 -5.3426 -5.3426 -3.5218 -3.5218 -3.2305 -3.2305 -0.8357 -0.8357 -0.7979 -0.7979 5.5230 5.5230 5.7656 5.7656 6.4091 6.4091 6.6839 6.6839 6.8841 6.8841 7.4114 7.4114 8.3225 8.3225 8.5029 8.5029 8.7446 8.7446 8.9685 8.9685 9.4126 9.4126 9.6512 9.6512 9.7751 9.7751 9.8325 9.8325 10.7329 10.7329 10.8096 10.8096 k = 0.5000 0.2179 0.8555 ( 9452 PWs) bands (ev): -68.8755 -68.8755 -68.8736 -68.8736 -38.6509 -38.6509 -38.6416 -38.6416 -37.4838 -37.4838 -37.4689 -37.4689 -37.4023 -37.4023 -37.3987 -37.3987 -18.5561 -18.5561 -5.3386 -5.3386 -3.5152 -3.5152 -3.2342 -3.2342 -0.8561 -0.8561 -0.7916 -0.7916 5.5646 5.5646 5.8052 5.8052 6.4021 6.4021 6.6917 6.6917 6.8770 6.8770 7.3623 7.3623 8.3343 8.3343 8.4913 8.4913 8.7699 8.7699 9.0048 9.0048 9.4232 9.4232 9.6469 9.6469 9.8111 9.8111 9.8565 9.8565 10.7310 10.7310 10.8330 10.8330 k = 0.5000 0.2179 0.8324 ( 9440 PWs) bands (ev): -68.8752 -68.8752 -68.8726 -68.8726 -38.6514 -38.6514 -38.6410 -38.6410 -37.4844 -37.4844 -37.4678 -37.4678 -37.4027 -37.4027 -37.3988 -37.3988 -18.5579 -18.5579 -5.3345 -5.3345 -3.5080 -3.5080 -3.2381 -3.2381 -0.8772 -0.8772 -0.7852 -0.7852 5.6059 5.6059 5.8470 5.8470 6.3911 6.3911 6.6994 6.6994 6.8753 6.8753 7.3159 7.3159 8.3486 8.3486 8.4798 8.4798 8.7962 8.7962 9.0433 9.0433 9.4347 9.4347 9.6445 9.6445 9.8496 9.8496 9.8819 9.8819 10.7309 10.7309 10.8602 10.8602 k = 0.5000 0.2179 0.8092 ( 9444 PWs) bands (ev): -68.8758 -68.8758 -68.8724 -68.8724 -38.6518 -38.6518 -38.6405 -38.6405 -37.4850 -37.4850 -37.4666 -37.4666 -37.4031 -37.4031 -37.3989 -37.3989 -18.5598 -18.5598 -5.3302 -5.3302 -3.5004 -3.5004 -3.2421 -3.2421 -0.8984 -0.8984 -0.7795 -0.7795 5.6462 5.6462 5.8905 5.8905 6.3759 6.3759 6.7069 6.7069 6.8785 6.8785 7.2715 7.2715 8.3604 8.3604 8.4666 8.4666 8.8190 8.8190 9.0803 9.0803 9.4455 9.4455 9.6386 9.6386 9.8864 9.8864 9.9090 9.9090 10.7276 10.7276 10.8895 10.8895 k = 0.5000 0.2179 0.7861 ( 9444 PWs) bands (ev): -68.8760 -68.8760 -68.8722 -68.8722 -38.6523 -38.6523 -38.6399 -38.6399 -37.4857 -37.4857 -37.4654 -37.4654 -37.4035 -37.4035 -37.3991 -37.3991 -18.5617 -18.5617 -5.3256 -5.3256 -3.4922 -3.4922 -3.2462 -3.2462 -0.9194 -0.9194 -0.7746 -0.7746 5.6856 5.6856 5.9357 5.9357 6.3571 6.3571 6.7144 6.7144 6.8865 6.8865 7.2301 7.2301 8.3761 8.3761 8.4524 8.4524 8.8462 8.8462 9.1148 9.1148 9.4553 9.4553 9.6304 9.6304 9.9232 9.9232 9.9396 9.9396 10.7247 10.7247 10.9253 10.9253 k = 0.5000 0.2179 0.7630 ( 9448 PWs) bands (ev): -68.8762 -68.8762 -68.8724 -68.8724 -38.6528 -38.6528 -38.6393 -38.6393 -37.4864 -37.4864 -37.4642 -37.4642 -37.4040 -37.4040 -37.3992 -37.3992 -18.5636 -18.5636 -5.3209 -5.3209 -3.4834 -3.4834 -3.2504 -3.2504 -0.9400 -0.9400 -0.7708 -0.7708 5.7225 5.7225 5.9825 5.9825 6.3352 6.3352 6.7220 6.7220 6.8985 6.8985 7.1916 7.1916 8.3906 8.3906 8.4364 8.4364 8.8740 8.8740 9.1491 9.1491 9.4681 9.4681 9.6262 9.6262 9.9572 9.9572 9.9745 9.9745 10.7201 10.7201 10.9600 10.9600 k = 0.5000 0.2179 0.7399 ( 9460 PWs) bands (ev): -68.8776 -68.8776 -68.8722 -68.8722 -38.6534 -38.6534 -38.6387 -38.6387 -37.4871 -37.4871 -37.4630 -37.4630 -37.4043 -37.4043 -37.3993 -37.3993 -18.5656 -18.5656 -5.3161 -5.3161 -3.4742 -3.4742 -3.2548 -3.2548 -0.9601 -0.9601 -0.7683 -0.7683 5.7570 5.7570 6.0312 6.0312 6.3109 6.3109 6.7294 6.7294 6.9139 6.9139 7.1561 7.1561 8.4027 8.4027 8.4183 8.4183 8.9037 8.9037 9.1834 9.1834 9.4778 9.4778 9.6207 9.6207 9.9895 9.9895 10.0118 10.0118 10.7169 10.7169 10.9941 10.9941 k = 0.5000 0.2179 0.7168 ( 9456 PWs) bands (ev): -68.8782 -68.8782 -68.8712 -68.8712 -38.6539 -38.6539 -38.6381 -38.6381 -37.4878 -37.4878 -37.4618 -37.4618 -37.4047 -37.4047 -37.3995 -37.3995 -18.5677 -18.5677 -5.3110 -5.3110 -3.4644 -3.4644 -3.2592 -3.2592 -0.9796 -0.9796 -0.7670 -0.7670 5.7900 5.7900 6.0816 6.0816 6.2851 6.2851 6.7374 6.7374 6.9324 6.9324 7.1244 7.1244 8.3952 8.3952 8.4234 8.4234 8.9348 8.9348 9.2181 9.2181 9.4928 9.4928 9.6174 9.6174 10.0266 10.0266 10.0517 10.0517 10.7145 10.7145 11.0362 11.0362 k = 0.5000 0.2179 0.6936 ( 9456 PWs) bands (ev): -68.8780 -68.8780 -68.8713 -68.8713 -38.6544 -38.6544 -38.6374 -38.6374 -37.4886 -37.4886 -37.4605 -37.4605 -37.4051 -37.4051 -37.3996 -37.3996 -18.5697 -18.5697 -5.3059 -5.3059 -3.4543 -3.4543 -3.2635 -3.2635 -0.9984 -0.9984 -0.7672 -0.7672 5.8206 5.8206 6.1334 6.1334 6.2582 6.2582 6.7443 6.7443 6.9528 6.9528 7.0969 7.0969 8.3789 8.3789 8.4426 8.4426 8.9637 8.9637 9.2510 9.2510 9.5068 9.5068 9.6138 9.6138 10.0602 10.0602 10.0915 10.0915 10.7092 10.7092 11.0834 11.0834 k = 0.5000 0.2179 0.6705 ( 9464 PWs) bands (ev): -68.8786 -68.8786 -68.8715 -68.8715 -38.6550 -38.6550 -38.6368 -38.6368 -37.4894 -37.4894 -37.4592 -37.4592 -37.4055 -37.4055 -37.3997 -37.3997 -18.5718 -18.5718 -5.3006 -5.3006 -3.4437 -3.4437 -3.2678 -3.2678 -1.0164 -1.0164 -0.7688 -0.7688 5.8480 5.8480 6.1866 6.1866 6.2307 6.2307 6.7512 6.7512 6.9739 6.9739 7.0731 7.0731 8.3598 8.3598 8.4622 8.4622 8.9888 8.9888 9.2810 9.2810 9.5213 9.5213 9.6105 9.6105 10.0976 10.0976 10.1294 10.1294 10.7044 10.7044 11.1294 11.1294 k = 0.5000 0.2179 0.6474 ( 9462 PWs) bands (ev): -68.8786 -68.8786 -68.8713 -68.8713 -38.6555 -38.6555 -38.6362 -38.6362 -37.4902 -37.4902 -37.4579 -37.4579 -37.4058 -37.4058 -37.3998 -37.3998 -18.5739 -18.5739 -5.2953 -5.2953 -3.4327 -3.4327 -3.2720 -3.2720 -1.0336 -1.0336 -0.7720 -0.7720 5.8728 5.8728 6.2028 6.2028 6.2412 6.2412 6.7581 6.7581 6.9926 6.9926 7.0576 7.0576 8.3405 8.3405 8.4814 8.4814 9.0173 9.0173 9.3116 9.3116 9.5401 9.5401 9.6115 9.6115 10.1380 10.1380 10.1634 10.1634 10.7005 10.7005 11.1814 11.1814 k = 0.5000 0.2179 0.6243 ( 9466 PWs) bands (ev): -68.8791 -68.8791 -68.8713 -68.8713 -38.6561 -38.6561 -38.6355 -38.6355 -37.4910 -37.4910 -37.4566 -37.4566 -37.4062 -37.4062 -37.3999 -37.3999 -18.5760 -18.5760 -5.2899 -5.2899 -3.4216 -3.4216 -3.2759 -3.2759 -1.0500 -1.0500 -0.7767 -0.7767 5.8947 5.8947 6.1753 6.1753 6.2970 6.2970 6.7638 6.7638 7.0006 7.0006 7.0580 7.0580 8.3202 8.3202 8.5019 8.5019 9.0440 9.0440 9.3405 9.3405 9.5541 9.5541 9.6132 9.6132 10.1776 10.1776 10.1943 10.1943 10.6951 10.6951 11.2363 11.2363 k = 0.5000 0.2179 0.6012 ( 9458 PWs) bands (ev): -68.8785 -68.8785 -68.8710 -68.8710 -38.6566 -38.6566 -38.6349 -38.6349 -37.4918 -37.4918 -37.4553 -37.4553 -37.4065 -37.4065 -37.4000 -37.4000 -18.5781 -18.5781 -5.2844 -5.2844 -3.4104 -3.4104 -3.2793 -3.2793 -1.0654 -1.0654 -0.7830 -0.7830 5.9143 5.9143 6.1479 6.1479 6.3540 6.3540 6.7705 6.7705 6.9955 6.9955 7.0761 7.0761 8.3042 8.3042 8.5235 8.5235 9.0666 9.0666 9.3694 9.3694 9.5716 9.5716 9.6197 9.6197 10.2170 10.2170 10.2264 10.2264 10.6899 10.6899 11.2962 11.2962 k = 0.5000 0.2179 0.5780 ( 9462 PWs) bands (ev): -68.8779 -68.8779 -68.8720 -68.8720 -38.6572 -38.6572 -38.6342 -38.6342 -37.4927 -37.4927 -37.4540 -37.4540 -37.4069 -37.4069 -37.4001 -37.4001 -18.5803 -18.5803 -5.2789 -5.2789 -3.3993 -3.3993 -3.2821 -3.2821 -1.0799 -1.0799 -0.7909 -0.7909 5.9309 5.9309 6.1207 6.1207 6.4115 6.4115 6.7758 6.7758 6.9858 6.9858 7.1015 7.1015 8.2845 8.2845 8.5471 8.5471 9.0855 9.0855 9.3951 9.3951 9.5875 9.5875 9.6305 9.6305 10.2358 10.2358 10.2712 10.2712 10.6801 10.6801 11.3556 11.3556 k = 0.5000 0.2179 0.5549 ( 9458 PWs) bands (ev): -68.8773 -68.8773 -68.8722 -68.8722 -38.6578 -38.6578 -38.6336 -38.6336 -37.4936 -37.4936 -37.4527 -37.4527 -37.4072 -37.4072 -37.4001 -37.4001 -18.5824 -18.5824 -5.2734 -5.2734 -3.3887 -3.3887 -3.2840 -3.2840 -1.0935 -1.0935 -0.8003 -0.8003 5.9453 5.9453 6.0942 6.0942 6.4704 6.4704 6.7805 6.7805 6.9774 6.9774 7.1300 7.1300 8.2646 8.2646 8.5697 8.5697 9.1070 9.1070 9.4216 9.4216 9.6030 9.6030 9.6452 9.6452 10.2459 10.2459 10.3184 10.3184 10.6756 10.6756 11.4181 11.4181 k = 0.5000 0.2179 0.5318 ( 9442 PWs) bands (ev): -68.8771 -68.8771 -68.8708 -68.8708 -38.6583 -38.6583 -38.6330 -38.6330 -37.4944 -37.4944 -37.4514 -37.4514 -37.4074 -37.4074 -37.4002 -37.4002 -18.5844 -18.5844 -5.2679 -5.2679 -3.3790 -3.3790 -3.2844 -3.2844 -1.1062 -1.1062 -0.8111 -0.8111 5.9581 5.9581 6.0697 6.0697 6.5303 6.5303 6.7846 6.7846 6.9705 6.9705 7.1614 7.1614 8.2432 8.2432 8.5940 8.5940 9.1317 9.1317 9.4484 9.4484 9.6163 9.6163 9.6623 9.6623 10.2523 10.2523 10.3671 10.3671 10.6752 10.6752 11.4807 11.4807 k = 0.5000 0.2179 0.5087 ( 9438 PWs) bands (ev): -68.8773 -68.8773 -68.8702 -68.8702 -38.6588 -38.6588 -38.6324 -38.6324 -37.4952 -37.4952 -37.4502 -37.4502 -37.4077 -37.4077 -37.4002 -37.4002 -18.5865 -18.5865 -5.2625 -5.2625 -3.3708 -3.3708 -3.2829 -3.2829 -1.1179 -1.1179 -0.8234 -0.8234 5.9683 5.9683 6.0455 6.0455 6.5902 6.5902 6.7895 6.7895 6.9640 6.9640 7.1929 7.1929 8.2226 8.2226 8.6167 8.6167 9.1482 9.1482 9.4701 9.4701 9.6296 9.6296 9.6811 9.6811 10.2481 10.2481 10.4214 10.4214 10.6721 10.6721 11.5402 11.5402 k = 0.5000 0.2179 0.4855 ( 9430 PWs) bands (ev): -68.8767 -68.8767 -68.8700 -68.8700 -38.6594 -38.6594 -38.6318 -38.6318 -37.4960 -37.4960 -37.4490 -37.4490 -37.4079 -37.4079 -37.4003 -37.4003 -18.5885 -18.5885 -5.2571 -5.2571 -3.3646 -3.3646 -3.2789 -3.2789 -1.1288 -1.1288 -0.8371 -0.8371 5.9768 5.9768 6.0229 6.0229 6.6506 6.6506 6.7931 6.7931 6.9601 6.9601 7.2251 7.2251 8.2060 8.2060 8.6395 8.6395 9.1571 9.1571 9.4925 9.4925 9.6444 9.6444 9.7036 9.7036 10.2377 10.2377 10.4749 10.4749 10.6706 10.6706 11.6000 11.6000 k = 0.5000 0.2179 0.4624 ( 9440 PWs) bands (ev): -68.8775 -68.8775 -68.8702 -68.8702 -38.6599 -38.6599 -38.6312 -38.6312 -37.4969 -37.4969 -37.4478 -37.4478 -37.4081 -37.4081 -37.4003 -37.4003 -18.5905 -18.5905 -5.2518 -5.2518 -3.3606 -3.3606 -3.2723 -3.2723 -1.1388 -1.1388 -0.8519 -0.8519 5.9812 5.9812 6.0039 6.0039 6.7099 6.7099 6.7956 6.7956 6.9564 6.9564 7.2575 7.2575 8.1845 8.1845 8.6606 8.6606 9.1645 9.1645 9.5115 9.5115 9.6594 9.6594 9.7211 9.7211 10.2203 10.2203 10.5273 10.5273 10.6640 10.6640 11.6516 11.6516 k = 0.5000 0.2179 0.4393 ( 9446 PWs) bands (ev): -68.8775 -68.8775 -68.8708 -68.8708 -38.6604 -38.6604 -38.6306 -38.6306 -37.4977 -37.4977 -37.4467 -37.4467 -37.4084 -37.4084 -37.4003 -37.4003 -18.5924 -18.5924 -5.2467 -5.2467 -3.3587 -3.3587 -3.2632 -3.2632 -1.1479 -1.1479 -0.8679 -0.8679 5.9715 5.9715 5.9995 5.9995 6.7661 6.7661 6.8000 6.8000 6.9549 6.9549 7.2902 7.2902 8.1665 8.1665 8.6825 8.6825 9.1638 9.1638 9.5299 9.5299 9.6769 9.6769 9.7417 9.7417 10.2008 10.2008 10.5821 10.5821 10.6555 10.6555 11.5716 11.5716 k = 0.5000 0.2179 0.4162 ( 9450 PWs) bands (ev): -68.8776 -68.8776 -68.8711 -68.8711 -38.6609 -38.6609 -38.6301 -38.6301 -37.4985 -37.4985 -37.4456 -37.4456 -37.4086 -37.4086 -37.4004 -37.4004 -18.5943 -18.5943 -5.2417 -5.2417 -3.3585 -3.3585 -3.2520 -3.2520 -1.1562 -1.1562 -0.8849 -0.8849 5.9530 5.9530 6.0041 6.0041 6.7930 6.7930 6.8300 6.8300 6.9571 6.9571 7.3227 7.3227 8.1496 8.1496 8.7021 8.7021 9.1628 9.1628 9.5473 9.5473 9.6974 9.6974 9.7629 9.7629 10.1766 10.1766 10.6374 10.6374 10.6491 10.6491 11.4928 11.4928 k = 0.5000 0.2179 0.3931 ( 9448 PWs) bands (ev): -68.8778 -68.8778 -68.8707 -68.8707 -38.6614 -38.6614 -38.6296 -38.6296 -37.4993 -37.4993 -37.4446 -37.4446 -37.4088 -37.4088 -37.4004 -37.4004 -18.5961 -18.5961 -5.2368 -5.2368 -3.3594 -3.3594 -3.2395 -3.2395 -1.1637 -1.1637 -0.9027 -0.9027 5.9338 5.9338 6.0106 6.0106 6.7975 6.7975 6.8749 6.8749 6.9682 6.9682 7.3551 7.3551 8.1311 8.1311 8.7217 8.7217 9.1596 9.1596 9.5639 9.5639 9.7211 9.7211 9.7822 9.7822 10.1529 10.1529 10.6435 10.6435 10.6997 10.6997 11.4166 11.4166 k = 0.5000 0.2179 0.3699 ( 9452 PWs) bands (ev): -68.8780 -68.8780 -68.8709 -68.8709 -38.6619 -38.6619 -38.6291 -38.6291 -37.5001 -37.5001 -37.4436 -37.4436 -37.4089 -37.4089 -37.4004 -37.4004 -18.5979 -18.5979 -5.2322 -5.2322 -3.3610 -3.3610 -3.2260 -3.2260 -1.1704 -1.1704 -0.9211 -0.9211 5.9155 5.9155 6.0170 6.0170 6.7983 6.7983 6.9008 6.9008 6.9986 6.9986 7.3874 7.3874 8.1130 8.1130 8.7409 8.7409 9.1517 9.1517 9.5778 9.5778 9.7450 9.7450 9.8035 9.8035 10.1307 10.1307 10.6374 10.6374 10.7585 10.7585 11.3432 11.3432 k = 0.5000 0.2179 0.3468 ( 9452 PWs) bands (ev): -68.8781 -68.8781 -68.8707 -68.8707 -38.6623 -38.6623 -38.6286 -38.6286 -37.5008 -37.5008 -37.4426 -37.4426 -37.4091 -37.4091 -37.4004 -37.4004 -18.5996 -18.5996 -5.2277 -5.2277 -3.3630 -3.3630 -3.2120 -3.2120 -1.1764 -1.1764 -0.9400 -0.9400 5.8982 5.8982 6.0238 6.0238 6.8001 6.8001 6.9085 6.9085 7.0470 7.0470 7.4193 7.4193 8.0941 8.0941 8.7590 8.7590 9.1398 9.1398 9.5899 9.5899 9.7701 9.7701 9.8257 9.8257 10.1105 10.1105 10.6312 10.6312 10.8223 10.8223 11.2723 11.2723 k = 0.5000 0.2179 0.3237 ( 9442 PWs) bands (ev): -68.8772 -68.8772 -68.8705 -68.8705 -38.6628 -38.6628 -38.6281 -38.6281 -37.5015 -37.5015 -37.4417 -37.4417 -37.4092 -37.4092 -37.4003 -37.4003 -18.6012 -18.6012 -5.2235 -5.2235 -3.3652 -3.3652 -3.1976 -3.1976 -1.1817 -1.1817 -0.9593 -0.9593 5.8819 5.8819 6.0312 6.0312 6.8010 6.8010 6.9089 6.9089 7.1022 7.1022 7.4511 7.4511 8.0798 8.0798 8.7768 8.7768 9.1266 9.1266 9.6025 9.6025 9.7970 9.7970 9.8486 9.8486 10.0972 10.0972 10.6242 10.6242 10.8856 10.8856 11.2058 11.2058 k = 0.5000 0.2179 0.3006 ( 9442 PWs) bands (ev): -68.8778 -68.8778 -68.8700 -68.8700 -38.6632 -38.6632 -38.6277 -38.6277 -37.5022 -37.5022 -37.4409 -37.4409 -37.4093 -37.4093 -37.4003 -37.4003 -18.6027 -18.6027 -5.2195 -5.2195 -3.3675 -3.3675 -3.1833 -3.1833 -1.1863 -1.1863 -0.9786 -0.9786 5.8669 5.8669 6.0386 6.0386 6.8012 6.8012 6.9058 6.9058 7.1589 7.1589 7.4819 7.4819 8.0638 8.0638 8.7914 8.7914 9.1118 9.1118 9.6114 9.6114 9.8213 9.8213 9.8667 9.8667 10.0818 10.0818 10.6199 10.6199 10.9484 10.9484 11.1440 11.1440 k = 0.5000 0.2179 0.2775 ( 9442 PWs) bands (ev): -68.8787 -68.8787 -68.8690 -68.8690 -38.6635 -38.6635 -38.6273 -38.6273 -37.5028 -37.5028 -37.4401 -37.4401 -37.4094 -37.4094 -37.4003 -37.4003 -18.6041 -18.6041 -5.2157 -5.2157 -3.3698 -3.3698 -3.1691 -3.1691 -1.1903 -1.1903 -0.9978 -0.9978 5.8538 5.8538 6.0461 6.0461 6.8018 6.8018 6.9010 6.9010 7.2155 7.2155 7.5114 7.5114 8.0453 8.0453 8.8036 8.8036 9.0958 9.0958 9.6200 9.6200 9.8448 9.8448 9.8876 9.8876 10.0650 10.0650 10.6156 10.6156 11.0128 11.0128 11.0866 11.0866 k = 0.5000 0.2179 0.2543 ( 9436 PWs) bands (ev): -68.8786 -68.8786 -68.8685 -68.8685 -38.6639 -38.6639 -38.6269 -38.6269 -37.5034 -37.5034 -37.4394 -37.4394 -37.4095 -37.4095 -37.4002 -37.4002 -18.6055 -18.6055 -5.2123 -5.2123 -3.3720 -3.3720 -3.1553 -3.1553 -1.1937 -1.1937 -1.0167 -1.0167 5.8415 5.8415 6.0536 6.0536 6.8009 6.8009 6.8957 6.8957 7.2709 7.2709 7.5404 7.5404 8.0343 8.0343 8.8150 8.8150 9.0760 9.0760 9.6268 9.6268 9.8683 9.8683 9.9099 9.9099 10.0555 10.0555 10.6114 10.6114 11.0310 11.0310 11.0765 11.0765 k = 0.5000 0.2179 0.2312 ( 9434 PWs) bands (ev): -68.8785 -68.8785 -68.8684 -68.8684 -38.6642 -38.6642 -38.6266 -38.6266 -37.5039 -37.5039 -37.4387 -37.4387 -37.4096 -37.4096 -37.4002 -37.4002 -18.6067 -18.6067 -5.2090 -5.2090 -3.3740 -3.3740 -3.1419 -3.1419 -1.1965 -1.1965 -1.0351 -1.0351 5.8288 5.8288 6.0617 6.0617 6.8007 6.8007 6.8902 6.8902 7.3239 7.3239 7.5682 7.5682 8.0232 8.0232 8.8234 8.8234 9.0530 9.0530 9.6341 9.6341 9.8882 9.8882 9.9291 9.9291 10.0517 10.0517 10.6065 10.6065 10.9818 10.9818 11.1392 11.1392 k = 0.5000 0.2179 0.2081 ( 9440 PWs) bands (ev): -68.8793 -68.8793 -68.8682 -68.8682 -38.6645 -38.6645 -38.6263 -38.6263 -37.5045 -37.5045 -37.4382 -37.4382 -37.4096 -37.4096 -37.4002 -37.4002 -18.6078 -18.6078 -5.2061 -5.2061 -3.3759 -3.3759 -3.1293 -3.1293 -1.1988 -1.1988 -1.0529 -1.0529 5.8179 5.8179 6.0696 6.0696 6.7992 6.7992 6.8837 6.8837 7.3744 7.3744 7.5946 7.5946 8.0088 8.0088 8.8300 8.8300 9.0291 9.0291 9.6384 9.6384 9.9059 9.9059 9.9483 9.9483 10.0464 10.0464 10.6023 10.6023 10.9370 10.9370 11.1991 11.1991 k = 0.5000 0.2179 0.1850 ( 9452 PWs) bands (ev): -68.8802 -68.8802 -68.8685 -68.8685 -38.6648 -38.6648 -38.6260 -38.6260 -37.5049 -37.5049 -37.4376 -37.4376 -37.4097 -37.4097 -37.4001 -37.4001 -18.6088 -18.6088 -5.2035 -5.2035 -3.3776 -3.3776 -3.1175 -3.1175 -1.2005 -1.2005 -1.0696 -1.0696 5.8077 5.8077 6.0776 6.0776 6.7957 6.7957 6.8770 6.8770 7.4213 7.4213 7.6199 7.6199 7.9962 7.9962 8.8348 8.8348 9.0049 9.0049 9.6423 9.6423 9.9181 9.9181 9.9635 9.9635 10.0448 10.0448 10.5994 10.5994 10.8968 10.8968 11.2528 11.2528 k = 0.5000 0.2179 0.1618 ( 9452 PWs) bands (ev): -68.8807 -68.8807 -68.8680 -68.8680 -38.6651 -38.6651 -38.6257 -38.6257 -37.5053 -37.5053 -37.4372 -37.4372 -37.4098 -37.4098 -37.4001 -37.4001 -18.6098 -18.6098 -5.2012 -5.2012 -3.3791 -3.3791 -3.1067 -3.1067 -1.2016 -1.2016 -1.0853 -1.0853 5.8000 5.8000 6.0855 6.0855 6.7933 6.7933 6.8715 6.8715 7.4641 7.4641 7.6445 7.6445 7.9863 7.9863 8.8398 8.8398 8.9817 8.9817 9.6452 9.6452 9.9275 9.9275 9.9793 9.9793 10.0488 10.0488 10.5933 10.5933 10.8627 10.8627 11.3063 11.3063 k = 0.5000 0.2179 0.1387 ( 9448 PWs) bands (ev): -68.8808 -68.8808 -68.8676 -68.8676 -38.6653 -38.6653 -38.6255 -38.6255 -37.5057 -37.5057 -37.4368 -37.4368 -37.4098 -37.4098 -37.4000 -37.4000 -18.6105 -18.6105 -5.1991 -5.1991 -3.3804 -3.3804 -3.0970 -3.0970 -1.2022 -1.2022 -1.0996 -1.0996 5.7931 5.7931 6.0931 6.0931 6.7899 6.7899 6.8662 6.8662 7.5019 7.5019 7.6680 7.6680 7.9778 7.9778 8.8432 8.8432 8.9601 8.9601 9.6488 9.6488 9.9394 9.9394 9.9937 9.9937 10.0559 10.0559 10.5904 10.5904 10.8350 10.8350 11.3532 11.3532 k = 0.5000 0.2179 0.1156 ( 9456 PWs) bands (ev): -68.8813 -68.8813 -68.8679 -68.8679 -38.6655 -38.6655 -38.6253 -38.6253 -37.5060 -37.5060 -37.4364 -37.4364 -37.4099 -37.4099 -37.4000 -37.4000 -18.6112 -18.6112 -5.1974 -5.1974 -3.3815 -3.3815 -3.0885 -3.0885 -1.2024 -1.2024 -1.1124 -1.1124 5.7867 5.7867 6.1000 6.1000 6.7867 6.7867 6.8617 6.8617 7.5337 7.5337 7.6897 7.6897 7.9705 7.9705 8.8450 8.8450 8.9371 8.9371 9.6517 9.6517 9.9471 9.9471 10.0021 10.0021 10.0625 10.0625 10.5805 10.5805 10.8097 10.8097 11.3954 11.3954 k = 0.5000 0.2179 0.0925 ( 9444 PWs) bands (ev): -68.8811 -68.8811 -68.8669 -68.8669 -38.6656 -38.6656 -38.6252 -38.6252 -37.5062 -37.5062 -37.4361 -37.4361 -37.4099 -37.4099 -37.4000 -37.4000 -18.6118 -18.6118 -5.1960 -5.1960 -3.3824 -3.3824 -3.0814 -3.0814 -1.2021 -1.2021 -1.1235 -1.1235 5.7833 5.7833 6.1060 6.1060 6.7844 6.7844 6.8587 6.8587 7.5599 7.5599 7.7099 7.7099 7.9651 7.9651 8.8481 8.8481 8.9192 8.9192 9.6541 9.6541 9.9564 9.9564 10.0113 10.0113 10.0724 10.0724 10.5778 10.5778 10.7913 10.7913 11.4317 11.4317 k = 0.5000 0.2179 0.0694 ( 9438 PWs) bands (ev): -68.8813 -68.8813 -68.8660 -68.8660 -38.6657 -38.6657 -38.6251 -38.6251 -37.5064 -37.5064 -37.4359 -37.4359 -37.4099 -37.4099 -37.3999 -37.3999 -18.6122 -18.6122 -5.1949 -5.1949 -3.3831 -3.3831 -3.0758 -3.0758 -1.2016 -1.2016 -1.1325 -1.1325 5.7808 5.7808 6.1109 6.1109 6.7825 6.7825 6.8564 6.8564 7.5798 7.5798 7.7270 7.7270 7.9597 7.9597 8.8506 8.8506 8.9040 8.9040 9.6553 9.6553 9.9617 9.9617 10.0172 10.0172 10.0806 10.0806 10.5731 10.5731 10.7777 10.7777 11.4592 11.4592 k = 0.5000 0.2179 0.0462 ( 9428 PWs) bands (ev): -68.8814 -68.8814 -68.8650 -68.8650 -38.6658 -38.6658 -38.6250 -38.6250 -37.5065 -37.5065 -37.4358 -37.4358 -37.4099 -37.4099 -37.3999 -37.3999 -18.6125 -18.6125 -5.1941 -5.1941 -3.3836 -3.3836 -3.0717 -3.0717 -1.2009 -1.2009 -1.1394 -1.1394 5.7788 5.7788 6.1146 6.1146 6.7814 6.7814 6.8553 6.8553 7.5937 7.5937 7.7402 7.7402 7.9563 7.9563 8.8520 8.8520 8.8933 8.8933 9.6565 9.6565 9.9663 9.9663 10.0218 10.0218 10.0868 10.0868 10.5745 10.5745 10.7689 10.7689 11.4774 11.4774 k = 0.5000 0.2179 0.0231 ( 9444 PWs) bands (ev): -68.8830 -68.8830 -68.8650 -68.8650 -38.6658 -38.6658 -38.6250 -38.6250 -37.5066 -37.5066 -37.4357 -37.4357 -37.4099 -37.4099 -37.3999 -37.3999 -18.6127 -18.6127 -5.1937 -5.1937 -3.3839 -3.3839 -3.0692 -3.0692 -1.2003 -1.2003 -1.1437 -1.1437 5.7768 5.7768 6.1165 6.1165 6.7800 6.7800 6.8540 6.8540 7.6012 7.6012 7.7478 7.7478 7.9520 7.9520 8.8517 8.8517 8.8857 8.8857 9.6545 9.6545 9.9569 9.9569 10.0203 10.0203 10.0859 10.0859 10.5742 10.5742 10.7631 10.7631 11.4838 11.4838 k = 0.5000 0.2179 0.0000 ( 9444 PWs) bands (ev): -68.8831 -68.8831 -68.8650 -68.8650 -38.6658 -38.6658 -38.6249 -38.6249 -37.5066 -37.5066 -37.4357 -37.4357 -37.4099 -37.4099 -37.3999 -37.3999 -18.6128 -18.6128 -5.1935 -5.1935 -3.3840 -3.3840 -3.0684 -3.0684 -1.2001 -1.2001 -1.1452 -1.1452 5.7762 5.7762 6.1173 6.1173 6.7796 6.7796 6.8537 6.8537 7.6039 7.6039 7.7506 7.7506 7.9513 7.9513 8.8518 8.8518 8.8831 8.8831 9.6547 9.6547 9.9578 9.9578 10.0211 10.0211 10.0872 10.0872 10.5733 10.5733 10.7611 10.7611 11.4854 11.4854 k = 0.0000 0.0000 1.2518 ( 9508 PWs) bands (ev): -68.8784 -68.8784 -68.8770 -68.8770 -38.6469 -38.6469 -38.6468 -38.6468 -37.4794 -37.4794 -37.4790 -37.4790 -37.3980 -37.3980 -37.3975 -37.3975 -18.5398 -18.5398 -5.3740 -5.3740 -3.5671 -3.5671 -3.2004 -3.2004 -0.9066 -0.9066 -0.6074 -0.6074 5.0867 5.0867 5.4408 5.4408 6.3398 6.3398 6.6022 6.6022 7.1593 7.1593 8.2038 8.2038 8.2393 8.2393 8.4119 8.4119 8.5377 8.5377 8.5594 8.5594 9.3123 9.3123 9.4982 9.4982 9.6867 9.6867 9.6942 9.6942 10.6387 10.6387 10.7346 10.7346 k = 0.0208 0.0091 1.2518 ( 9522 PWs) bands (ev): -68.8786 -68.8786 -68.8782 -68.8782 -38.6469 -38.6469 -38.6468 -38.6468 -37.4794 -37.4794 -37.4790 -37.4790 -37.3980 -37.3980 -37.3975 -37.3975 -18.5398 -18.5398 -5.3740 -5.3740 -3.5671 -3.5671 -3.2004 -3.2004 -0.9066 -0.9066 -0.6075 -0.6075 5.0878 5.0878 5.4386 5.4386 6.3400 6.3400 6.6049 6.6049 7.1571 7.1571 8.1995 8.1995 8.2413 8.2413 8.4102 8.4102 8.5366 8.5366 8.5578 8.5578 9.3092 9.3092 9.4973 9.4973 9.6797 9.6797 9.6942 9.6942 10.6355 10.6355 10.7342 10.7342 k = 0.0417 0.0182 1.2518 ( 9510 PWs) bands (ev): -68.8778 -68.8778 -68.8778 -68.8778 -38.6469 -38.6469 -38.6468 -38.6468 -37.4794 -37.4794 -37.4790 -37.4790 -37.3980 -37.3980 -37.3975 -37.3975 -18.5398 -18.5398 -5.3740 -5.3740 -3.5671 -3.5671 -3.2004 -3.2004 -0.9066 -0.9066 -0.6074 -0.6074 5.0911 5.0911 5.4327 5.4327 6.3408 6.3408 6.6133 6.6133 7.1508 7.1508 8.1909 8.1909 8.2504 8.2504 8.4126 8.4126 8.5386 8.5386 8.5636 8.5636 9.3118 9.3118 9.4957 9.4957 9.6831 9.6831 9.6907 9.6907 10.6386 10.6386 10.7348 10.7348 k = 0.0625 0.0272 1.2518 ( 9506 PWs) bands (ev): -68.8778 -68.8778 -68.8774 -68.8774 -38.6469 -38.6469 -38.6468 -38.6468 -37.4794 -37.4794 -37.4790 -37.4790 -37.3980 -37.3980 -37.3975 -37.3975 -18.5398 -18.5398 -5.3740 -5.3740 -3.5671 -3.5671 -3.2004 -3.2004 -0.9066 -0.9066 -0.6074 -0.6074 5.0967 5.0967 5.4225 5.4225 6.3419 6.3419 6.6270 6.6270 7.1402 7.1402 8.1802 8.1802 8.2605 8.2605 8.4177 8.4177 8.5363 8.5363 8.5636 8.5636 9.3154 9.3154 9.4910 9.4910 9.6843 9.6843 9.6906 9.6906 10.6434 10.6434 10.7333 10.7333 k = 0.0833 0.0363 1.2518 ( 9496 PWs) bands (ev): -68.8776 -68.8776 -68.8766 -68.8766 -38.6469 -38.6469 -38.6468 -38.6468 -37.4794 -37.4794 -37.4790 -37.4790 -37.3979 -37.3979 -37.3975 -37.3975 -18.5398 -18.5398 -5.3740 -5.3740 -3.5671 -3.5671 -3.2004 -3.2004 -0.9065 -0.9065 -0.6074 -0.6074 5.1045 5.1045 5.4089 5.4089 6.3435 6.3435 6.6457 6.6457 7.1255 7.1255 8.1692 8.1692 8.2712 8.2712 8.4241 8.4241 8.5336 8.5336 8.5655 8.5655 9.3205 9.3205 9.4846 9.4846 9.6893 9.6893 9.6906 9.6906 10.6507 10.6507 10.7305 10.7305 k = 0.1042 0.0454 1.2518 ( 9488 PWs) bands (ev): -68.8768 -68.8768 -68.8766 -68.8766 -38.6468 -38.6468 -38.6468 -38.6468 -37.4793 -37.4793 -37.4790 -37.4790 -37.3979 -37.3979 -37.3975 -37.3975 -18.5398 -18.5398 -5.3740 -5.3740 -3.5671 -3.5671 -3.2004 -3.2004 -0.9065 -0.9065 -0.6075 -0.6075 5.1144 5.1144 5.3925 5.3925 6.3450 6.3450 6.6687 6.6687 7.1076 7.1076 8.1583 8.1583 8.2799 8.2799 8.4282 8.4282 8.5317 8.5317 8.5663 8.5663 9.3268 9.3268 9.4814 9.4814 9.6916 9.6916 9.6934 9.6934 10.6544 10.6544 10.7287 10.7287 k = 0.1250 0.0545 1.2518 ( 9490 PWs) bands (ev): -68.8770 -68.8770 -68.8766 -68.8766 -38.6469 -38.6469 -38.6468 -38.6468 -37.4793 -37.4793 -37.4790 -37.4790 -37.3979 -37.3979 -37.3975 -37.3975 -18.5398 -18.5398 -5.3740 -5.3740 -3.5671 -3.5671 -3.2004 -3.2004 -0.9065 -0.9065 -0.6075 -0.6075 5.1263 5.1263 5.3735 5.3735 6.3466 6.3466 6.6956 6.6956 7.0856 7.0856 8.1479 8.1479 8.2869 8.2869 8.4347 8.4347 8.5257 8.5257 8.5650 8.5650 9.3353 9.3353 9.4720 9.4720 9.6913 9.6913 9.6935 9.6935 10.6593 10.6593 10.7254 10.7254 k = 0.1458 0.0635 1.2518 ( 9478 PWs) bands (ev): -68.8770 -68.8770 -68.8754 -68.8754 -38.6469 -38.6469 -38.6468 -38.6468 -37.4793 -37.4793 -37.4789 -37.4789 -37.3979 -37.3979 -37.3975 -37.3975 -18.5398 -18.5398 -5.3740 -5.3740 -3.5671 -3.5671 -3.2004 -3.2004 -0.9064 -0.9064 -0.6076 -0.6076 5.1406 5.1406 5.3529 5.3529 6.3482 6.3482 6.7257 6.7257 7.0604 7.0604 8.1389 8.1389 8.2952 8.2952 8.4438 8.4438 8.5200 8.5200 8.5656 8.5656 9.3464 9.3464 9.4616 9.4616 9.6934 9.6934 9.6952 9.6952 10.6725 10.6725 10.7217 10.7217 k = 0.1667 0.0726 1.2518 ( 9460 PWs) bands (ev): -68.8757 -68.8757 -68.8748 -68.8748 -38.6468 -38.6468 -38.6467 -38.6467 -37.4793 -37.4793 -37.4789 -37.4789 -37.3979 -37.3979 -37.3975 -37.3975 -18.5398 -18.5398 -5.3740 -5.3740 -3.5671 -3.5671 -3.2004 -3.2004 -0.9063 -0.9063 -0.6075 -0.6075 5.1563 5.1563 5.3320 5.3320 6.3497 6.3497 6.7583 6.7583 7.0325 7.0325 8.1310 8.1310 8.3033 8.3033 8.4523 8.4523 8.5158 8.5158 8.5706 8.5706 9.3591 9.3591 9.4515 9.4515 9.6950 9.6950 9.6964 9.6964 10.6809 10.6809 10.7226 10.7226 k = 0.1875 0.0817 1.2518 ( 9454 PWs) bands (ev): -68.8751 -68.8751 -68.8748 -68.8748 -38.6468 -38.6468 -38.6467 -38.6467 -37.4793 -37.4793 -37.4789 -37.4789 -37.3979 -37.3979 -37.3974 -37.3974 -18.5398 -18.5398 -5.3740 -5.3740 -3.5671 -3.5671 -3.2004 -3.2004 -0.9063 -0.9063 -0.6076 -0.6076 5.1732 5.1732 5.3099 5.3099 6.3509 6.3509 6.7925 6.7925 7.0020 7.0020 8.1245 8.1245 8.3082 8.3082 8.4602 8.4602 8.5125 8.5125 8.5712 8.5712 9.3694 9.3694 9.4397 9.4397 9.6961 9.6961 9.6968 9.6968 10.6872 10.6872 10.7216 10.7216 k = 0.2083 0.0908 1.2518 ( 9450 PWs) bands (ev): -68.8748 -68.8748 -68.8746 -68.8746 -38.6468 -38.6468 -38.6468 -38.6468 -37.4793 -37.4793 -37.4789 -37.4789 -37.3979 -37.3979 -37.3974 -37.3974 -18.5398 -18.5398 -5.3740 -5.3740 -3.5671 -3.5671 -3.2004 -3.2004 -0.9062 -0.9062 -0.6076 -0.6076 5.1904 5.1904 5.2885 5.2885 6.3520 6.3520 6.8276 6.8276 6.9698 6.9698 8.1199 8.1199 8.3146 8.3146 8.4693 8.4693 8.5048 8.5048 8.5738 8.5738 9.3799 9.3799 9.4305 9.4305 9.6950 9.6950 9.6958 9.6958 10.6886 10.6886 10.7174 10.7174 k = 0.2292 0.0998 1.2518 ( 9446 PWs) bands (ev): -68.8748 -68.8748 -68.8742 -68.8742 -38.6468 -38.6468 -38.6467 -38.6467 -37.4793 -37.4793 -37.4789 -37.4789 -37.3978 -37.3978 -37.3974 -37.3974 -18.5398 -18.5398 -5.3740 -5.3740 -3.5671 -3.5671 -3.2004 -3.2004 -0.9062 -0.9062 -0.6076 -0.6076 5.2071 5.2071 5.2692 5.2692 6.3525 6.3525 6.8630 6.8630 6.9362 6.9362 8.1170 8.1170 8.3164 8.3164 8.4788 8.4788 8.4954 8.4954 8.5737 8.5737 9.3915 9.3915 9.4187 9.4187 9.6956 9.6956 9.7012 9.7012 10.6967 10.6967 10.7117 10.7117 k = 0.2500 0.1089 1.2518 ( 9440 PWs) bands (ev): -68.8742 -68.8742 -68.8742 -68.8742 -38.6468 -38.6468 -38.6467 -38.6467 -37.4793 -37.4793 -37.4789 -37.4789 -37.3978 -37.3978 -37.3974 -37.3974 -18.5398 -18.5398 -5.3740 -5.3740 -3.5671 -3.5671 -3.2004 -3.2004 -0.9062 -0.9062 -0.6076 -0.6076 5.2161 5.2161 5.2594 5.2594 6.3528 6.3528 6.8904 6.8904 6.9094 6.9094 8.1160 8.1160 8.3181 8.3181 8.4877 8.4877 8.4892 8.4892 8.5747 8.5747 9.3989 9.3989 9.4112 9.4112 9.6986 9.6986 9.6997 9.6997 10.7000 10.7000 10.7117 10.7117 Writing output data file BaxMnAsx2.save init_run : 0.28s CPU 0.43s WALL ( 1 calls) electrons : 483.04s CPU 486.30s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 483.03s CPU 486.28s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.06s CPU 0.08s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.13s WALL ( 332 calls) cegterg : 432.91s CPU 435.19s WALL ( 332 calls) Called by sum_band: Called by *egterg: h_psi : 383.56s CPU 385.46s WALL ( 5420 calls) s_psi : 5.57s CPU 5.32s WALL ( 5420 calls) g_psi : 0.54s CPU 0.57s WALL ( 4756 calls) cdiaghg : 50.46s CPU 51.06s WALL ( 5088 calls) cegterg:over : 12.83s CPU 13.02s WALL ( 4756 calls) cegterg:upda : 11.80s CPU 11.83s WALL ( 4756 calls) cegterg:last : 6.26s CPU 6.23s WALL ( 1013 calls) cdiaghg:chol : 2.98s CPU 2.97s WALL ( 5088 calls) cdiaghg:inve : 2.11s CPU 2.02s WALL ( 5088 calls) cdiaghg:para : 3.34s CPU 3.46s WALL ( 10176 calls) Called by h_psi: h_psi:vloc : 367.91s CPU 369.64s WALL ( 5420 calls) h_psi:vnl : 15.12s CPU 15.30s WALL ( 5420 calls) add_vuspsi : 7.26s CPU 7.53s WALL ( 5420 calls) General routines calbec : 7.84s CPU 7.75s WALL ( 5420 calls) fft : 0.01s CPU 0.01s WALL ( 15 calls) fftw : 347.86s CPU 349.49s WALL ( 828572 calls) davcio : 0.36s CPU 0.50s WALL ( 664 calls) Parallel routines fft_scatter : 82.05s CPU 81.82s WALL ( 828587 calls) PWSCF : 8m33.83s CPU 8m59.77s WALL This run was terminated on: 20: 2:48 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=