Program PWSCF v.5.1.1 starts on 12Jun2016 at 14:45:38 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 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./MgGeAs2.save/ file Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 104 63 17 3404 1606 237 Max 105 64 18 3407 1640 241 Sum 5013 3065 847 163453 78011 11479 bravais-lattice index = 14 lattice parameter (alat) = 13.0628 a.u. unit-cell volume = 1276.1914 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 59.0000 Ry charge density cutoff = 386.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 13.062845 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.643001 celldm(5)= -0.643001 celldm(6)= 0.286003 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.286003 0.958229 0.000000 ) a(3) = ( -0.643001 -0.479114 0.597494 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.298470 0.836829 ) b(2) = ( 0.000000 1.043592 0.836829 ) b(3) = ( 0.000000 0.000000 1.673658 ) PseudoPot. # 1 for Ge read from file: /home/autes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for As read from file: /home/autes/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 Mg read from file: /home/autes/Pseudo/Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 99618f2d1dea131ec68d28ce241ef835 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 1129 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ge 4.00 72.64000 Ge( 1.00) As 5.00 74.92160 As( 1.00) Mg 10.00 24.30500 Mg( 1.00) No symmetry found (note: 1 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 270 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037037 k( 2) = ( 0.0000000 0.0000000 0.0214571), wk = 0.0037037 k( 3) = ( 0.0000000 0.0000000 0.0429143), wk = 0.0037037 k( 4) = ( 0.0000000 0.0000000 0.0643715), wk = 0.0037037 k( 5) = ( 0.0000000 0.0000000 0.0858286), wk = 0.0037037 k( 6) = ( 0.0000000 0.0000000 0.1072858), wk = 0.0037037 k( 7) = ( 0.0000000 0.0000000 0.1287429), wk = 0.0037037 k( 8) = ( 0.0000000 0.0000000 0.1502001), wk = 0.0037037 k( 9) = ( 0.0000000 0.0000000 0.1716572), wk = 0.0037037 k( 10) = ( 0.0000000 0.0000000 0.1931144), wk = 0.0037037 k( 11) = ( 0.0000000 0.0000000 0.2145715), wk = 0.0037037 k( 12) = ( 0.0000000 0.0000000 0.2360287), wk = 0.0037037 k( 13) = ( 0.0000000 0.0000000 0.2574858), wk = 0.0037037 k( 14) = ( 0.0000000 0.0000000 0.2789430), wk = 0.0037037 k( 15) = ( 0.0000000 0.0000000 0.3004002), wk = 0.0037037 k( 16) = ( 0.0000000 0.0000000 0.3218573), wk = 0.0037037 k( 17) = ( 0.0000000 0.0000000 0.3433145), wk = 0.0037037 k( 18) = ( 0.0000000 0.0000000 0.3647716), wk = 0.0037037 k( 19) = ( 0.0000000 0.0000000 0.3862288), wk = 0.0037037 k( 20) = ( 0.0000000 0.0000000 0.4076859), wk = 0.0037037 k( 21) = ( 0.0000000 0.0000000 0.4291431), wk = 0.0037037 k( 22) = ( 0.0000000 0.0000000 0.4506002), wk = 0.0037037 k( 23) = ( 0.0000000 0.0000000 0.4720574), wk = 0.0037037 k( 24) = ( 0.0000000 0.0000000 0.4935145), wk = 0.0037037 k( 25) = ( 0.0000000 0.0000000 0.5149717), wk = 0.0037037 k( 26) = ( 0.0000000 0.0000000 0.5364289), wk = 0.0037037 k( 27) = ( 0.0000000 0.0000000 0.5578860), wk = 0.0037037 k( 28) = ( 0.0000000 0.0000000 0.5793432), wk = 0.0037037 k( 29) = ( 0.0000000 0.0000000 0.6008003), wk = 0.0037037 k( 30) = ( 0.0000000 0.0000000 0.6222575), wk = 0.0037037 k( 31) = ( 0.0000000 0.0000000 0.6437146), wk = 0.0037037 k( 32) = ( 0.0000000 0.0000000 0.6651718), wk = 0.0037037 k( 33) = ( 0.0000000 0.0000000 0.6866289), wk = 0.0037037 k( 34) = ( 0.0000000 0.0000000 0.7080861), wk = 0.0037037 k( 35) = ( 0.0000000 0.0000000 0.7295432), wk = 0.0037037 k( 36) = ( 0.0000000 0.0000000 0.7510004), wk = 0.0037037 k( 37) = ( 0.0000000 0.0000000 0.7724575), wk = 0.0037037 k( 38) = ( 0.0000000 0.0000000 0.7939147), wk = 0.0037037 k( 39) = ( 0.0000000 0.0000000 0.8153719), wk = 0.0037037 k( 40) = ( 0.0000000 0.0000000 0.8368290), wk = 0.0037037 k( 41) = ( 0.0000000 0.0000000 0.8368290), wk = 0.0037037 k( 42) = ( -0.0126183 0.0169346 0.8368290), wk = 0.0037037 k( 43) = ( -0.0252367 0.0338692 0.8368290), wk = 0.0037037 k( 44) = ( -0.0378550 0.0508038 0.8368290), wk = 0.0037037 k( 45) = ( -0.0504733 0.0677384 0.8368290), wk = 0.0037037 k( 46) = ( -0.0630917 0.0846729 0.8368290), wk = 0.0037037 k( 47) = ( -0.0757100 0.1016075 0.8368290), wk = 0.0037037 k( 48) = ( -0.0883283 0.1185421 0.8368290), wk = 0.0037037 k( 49) = ( -0.1009467 0.1354767 0.8368290), wk = 0.0037037 k( 50) = ( -0.1135650 0.1524113 0.8368290), wk = 0.0037037 k( 51) = ( -0.1261833 0.1693459 0.8368290), wk = 0.0037037 k( 52) = ( -0.1388017 0.1862805 0.8368290), wk = 0.0037037 k( 53) = ( -0.1388017 0.1862805 0.8368290), wk = 0.0037037 k( 54) = ( -0.1478316 0.1983992 0.8217159), wk = 0.0037037 k( 55) = ( -0.1568616 0.2105180 0.8066029), wk = 0.0037037 k( 56) = ( -0.1658915 0.2226368 0.7914898), wk = 0.0037037 k( 57) = ( -0.1749215 0.2347555 0.7763768), wk = 0.0037037 k( 58) = ( -0.1839514 0.2468743 0.7612637), wk = 0.0037037 k( 59) = ( -0.1929814 0.2589931 0.7461506), wk = 0.0037037 k( 60) = ( -0.2020114 0.2711118 0.7310376), wk = 0.0037037 k( 61) = ( -0.2110413 0.2832306 0.7159245), wk = 0.0037037 k( 62) = ( -0.2200713 0.2953494 0.7008114), wk = 0.0037037 k( 63) = ( -0.2291013 0.3074681 0.6856984), wk = 0.0037037 k( 64) = ( -0.2381312 0.3195869 0.6705853), wk = 0.0037037 k( 65) = ( -0.2471612 0.3317057 0.6554723), wk = 0.0037037 k( 66) = ( -0.2561911 0.3438244 0.6403592), wk = 0.0037037 k( 67) = ( -0.2652211 0.3559432 0.6252461), wk = 0.0037037 k( 68) = ( -0.2742510 0.3680620 0.6101331), wk = 0.0037037 k( 69) = ( -0.2832810 0.3801807 0.5950200), wk = 0.0037037 k( 70) = ( -0.2923110 0.3922995 0.5799070), wk = 0.0037037 k( 71) = ( -0.3013409 0.4044183 0.5647939), wk = 0.0037037 k( 72) = ( -0.3103709 0.4165370 0.5496808), wk = 0.0037037 k( 73) = ( -0.3194008 0.4286558 0.5345678), wk = 0.0037037 k( 74) = ( -0.3194008 0.4286558 0.5345678), wk = 0.0037037 k( 75) = ( -0.3102751 0.4164085 0.5192944), wk = 0.0037037 k( 76) = ( -0.3011494 0.4041612 0.5040210), wk = 0.0037037 k( 77) = ( -0.2920236 0.3919139 0.4887477), wk = 0.0037037 k( 78) = ( -0.2828979 0.3796666 0.4734743), wk = 0.0037037 k( 79) = ( -0.2737721 0.3674193 0.4582009), wk = 0.0037037 k( 80) = ( -0.2646464 0.3551720 0.4429276), wk = 0.0037037 k( 81) = ( -0.2555207 0.3429247 0.4276542), wk = 0.0037037 k( 82) = ( -0.2463949 0.3306773 0.4123809), wk = 0.0037037 k( 83) = ( -0.2372692 0.3184300 0.3971075), wk = 0.0037037 k( 84) = ( -0.2281434 0.3061827 0.3818341), wk = 0.0037037 k( 85) = ( -0.2190177 0.2939354 0.3665607), wk = 0.0037037 k( 86) = ( -0.2098920 0.2816881 0.3512874), wk = 0.0037037 k( 87) = ( -0.2007662 0.2694408 0.3360140), wk = 0.0037037 k( 88) = ( -0.1916405 0.2571935 0.3207407), wk = 0.0037037 k( 89) = ( -0.1825148 0.2449462 0.3054673), wk = 0.0037037 k( 90) = ( -0.1733890 0.2326989 0.2901939), wk = 0.0037037 k( 91) = ( -0.1642633 0.2204516 0.2749206), wk = 0.0037037 k( 92) = ( -0.1551376 0.2082043 0.2596472), wk = 0.0037037 k( 93) = ( -0.1460118 0.1959569 0.2443738), wk = 0.0037037 k( 94) = ( -0.1368861 0.1837096 0.2291005), wk = 0.0037037 k( 95) = ( -0.1277603 0.1714623 0.2138271), wk = 0.0037037 k( 96) = ( -0.1186346 0.1592150 0.1985537), wk = 0.0037037 k( 97) = ( -0.1095089 0.1469677 0.1832804), wk = 0.0037037 k( 98) = ( -0.1003831 0.1347204 0.1680070), wk = 0.0037037 k( 99) = ( -0.0912574 0.1224731 0.1527336), wk = 0.0037037 k( 100) = ( -0.0821316 0.1102258 0.1374603), wk = 0.0037037 k( 101) = ( -0.0730059 0.0979785 0.1221869), wk = 0.0037037 k( 102) = ( -0.0638802 0.0857312 0.1069136), wk = 0.0037037 k( 103) = ( -0.0547544 0.0734839 0.0916402), wk = 0.0037037 k( 104) = ( -0.0456287 0.0612365 0.0763668), wk = 0.0037037 k( 105) = ( -0.0365029 0.0489892 0.0610935), wk = 0.0037037 k( 106) = ( -0.0273772 0.0367419 0.0458201), wk = 0.0037037 k( 107) = ( -0.0182515 0.0244946 0.0305467), wk = 0.0037037 k( 108) = ( -0.0091257 0.0122473 0.0152734), wk = 0.0037037 k( 109) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037037 k( 110) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037037 k( 111) = ( 0.0172414 0.0128469 -0.0000000), wk = 0.0037037 k( 112) = ( 0.0344828 0.0256939 -0.0000000), wk = 0.0037037 k( 113) = ( 0.0517241 0.0385408 -0.0000000), wk = 0.0037037 k( 114) = ( 0.0689655 0.0513877 -0.0000000), wk = 0.0037037 k( 115) = ( 0.0862069 0.0642346 -0.0000000), wk = 0.0037037 k( 116) = ( 0.1034483 0.0770816 -0.0000000), wk = 0.0037037 k( 117) = ( 0.1206897 0.0899285 -0.0000000), wk = 0.0037037 k( 118) = ( 0.1379310 0.1027754 -0.0000000), wk = 0.0037037 k( 119) = ( 0.1551724 0.1156224 0.0000000), wk = 0.0037037 k( 120) = ( 0.1724138 0.1284693 -0.0000000), wk = 0.0037037 k( 121) = ( 0.1896552 0.1413162 -0.0000000), wk = 0.0037037 k( 122) = ( 0.2068966 0.1541632 0.0000000), wk = 0.0037037 k( 123) = ( 0.2241379 0.1670101 -0.0000000), wk = 0.0037037 k( 124) = ( 0.2413793 0.1798570 -0.0000000), wk = 0.0037037 k( 125) = ( 0.2586207 0.1927039 -0.0000000), wk = 0.0037037 k( 126) = ( 0.2758621 0.2055509 -0.0000000), wk = 0.0037037 k( 127) = ( 0.2931034 0.2183978 -0.0000000), wk = 0.0037037 k( 128) = ( 0.3103448 0.2312447 -0.0000000), wk = 0.0037037 k( 129) = ( 0.3275862 0.2440917 -0.0000000), wk = 0.0037037 k( 130) = ( 0.3448276 0.2569386 -0.0000000), wk = 0.0037037 k( 131) = ( 0.3620690 0.2697855 0.0000000), wk = 0.0037037 k( 132) = ( 0.3793103 0.2826324 -0.0000000), wk = 0.0037037 k( 133) = ( 0.3965517 0.2954794 -0.0000000), wk = 0.0037037 k( 134) = ( 0.4137931 0.3083263 0.0000000), wk = 0.0037037 k( 135) = ( 0.4310345 0.3211732 -0.0000000), wk = 0.0037037 k( 136) = ( 0.4482759 0.3340202 -0.0000000), wk = 0.0037037 k( 137) = ( 0.4655172 0.3468671 -0.0000000), wk = 0.0037037 k( 138) = ( 0.4827586 0.3597140 -0.0000000), wk = 0.0037037 k( 139) = ( 0.5000000 0.3725610 -0.0000000), wk = 0.0037037 k( 140) = ( 0.5000000 0.3725610 -0.0000000), wk = 0.0037037 k( 141) = ( 0.4909700 0.3846797 0.0151131), wk = 0.0037037 k( 142) = ( 0.4819401 0.3967985 0.0302261), wk = 0.0037037 k( 143) = ( 0.4729101 0.4089173 0.0453392), wk = 0.0037037 k( 144) = ( 0.4638802 0.4210360 0.0604522), wk = 0.0037037 k( 145) = ( 0.4548502 0.4331548 0.0755653), wk = 0.0037037 k( 146) = ( 0.4458202 0.4452736 0.0906784), wk = 0.0037037 k( 147) = ( 0.4367903 0.4573923 0.1057914), wk = 0.0037037 k( 148) = ( 0.4277603 0.4695111 0.1209045), wk = 0.0037037 k( 149) = ( 0.4187304 0.4816299 0.1360176), wk = 0.0037037 k( 150) = ( 0.4097004 0.4937486 0.1511306), wk = 0.0037037 k( 151) = ( 0.4006705 0.5058674 0.1662437), wk = 0.0037037 k( 152) = ( 0.3916405 0.5179861 0.1813567), wk = 0.0037037 k( 153) = ( 0.3826105 0.5301049 0.1964698), wk = 0.0037037 k( 154) = ( 0.3735806 0.5422237 0.2115829), wk = 0.0037037 k( 155) = ( 0.3645506 0.5543425 0.2266959), wk = 0.0037037 k( 156) = ( 0.3555207 0.5664612 0.2418090), wk = 0.0037037 k( 157) = ( 0.3464907 0.5785800 0.2569221), wk = 0.0037037 k( 158) = ( 0.3374607 0.5906987 0.2720351), wk = 0.0037037 k( 159) = ( 0.3284308 0.6028175 0.2871482), wk = 0.0037037 k( 160) = ( 0.3194008 0.6149363 0.3022612), wk = 0.0037037 k( 161) = ( 0.3194008 0.6149363 0.3022612), wk = 0.0037037 k( 162) = ( 0.3006125 0.6094574 0.3090938), wk = 0.0037037 k( 163) = ( 0.2818243 0.6039786 0.3159263), wk = 0.0037037 k( 164) = ( 0.2630360 0.5984998 0.3227589), wk = 0.0037037 k( 165) = ( 0.2442477 0.5930209 0.3295914), wk = 0.0037037 k( 166) = ( 0.2254594 0.5875421 0.3364240), wk = 0.0037037 k( 167) = ( 0.2066711 0.5820633 0.3432565), wk = 0.0037037 k( 168) = ( 0.1878828 0.5765844 0.3500891), wk = 0.0037037 k( 169) = ( 0.1690946 0.5711056 0.3569216), wk = 0.0037037 k( 170) = ( 0.1503063 0.5656267 0.3637541), wk = 0.0037037 k( 171) = ( 0.1315180 0.5601479 0.3705867), wk = 0.0037037 k( 172) = ( 0.1127297 0.5546691 0.3774192), wk = 0.0037037 k( 173) = ( 0.0939414 0.5491902 0.3842518), wk = 0.0037037 k( 174) = ( 0.0751531 0.5437114 0.3910843), wk = 0.0037037 k( 175) = ( 0.0563649 0.5382326 0.3979169), wk = 0.0037037 k( 176) = ( 0.0375766 0.5327537 0.4047494), wk = 0.0037037 k( 177) = ( 0.0187883 0.5272749 0.4115820), wk = 0.0037037 k( 178) = ( 0.0000000 0.5217960 0.4184145), wk = 0.0037037 k( 179) = ( 0.0000000 0.5217960 0.4184145), wk = 0.0037037 k( 180) = ( 0.0092593 0.5093695 0.4339113), wk = 0.0037037 k( 181) = ( 0.0185185 0.4969430 0.4494082), wk = 0.0037037 k( 182) = ( 0.0277778 0.4845165 0.4649050), wk = 0.0037037 k( 183) = ( 0.0370370 0.4720900 0.4804018), wk = 0.0037037 k( 184) = ( 0.0462963 0.4596635 0.4958987), wk = 0.0037037 k( 185) = ( 0.0555556 0.4472370 0.5113955), wk = 0.0037037 k( 186) = ( 0.0648148 0.4348105 0.5268923), wk = 0.0037037 k( 187) = ( 0.0740741 0.4223840 0.5423892), wk = 0.0037037 k( 188) = ( 0.0833333 0.4099575 0.5578860), wk = 0.0037037 k( 189) = ( 0.0925926 0.3975310 0.5733828), wk = 0.0037037 k( 190) = ( 0.1018518 0.3851045 0.5888797), wk = 0.0037037 k( 191) = ( 0.1111111 0.3726780 0.6043765), wk = 0.0037037 k( 192) = ( 0.1203704 0.3602515 0.6198733), wk = 0.0037037 k( 193) = ( 0.1296296 0.3478250 0.6353702), wk = 0.0037037 k( 194) = ( 0.1388889 0.3353985 0.6508670), wk = 0.0037037 k( 195) = ( 0.1481482 0.3229720 0.6663638), wk = 0.0037037 k( 196) = ( 0.1574074 0.3105455 0.6818607), wk = 0.0037037 k( 197) = ( 0.1666667 0.2981190 0.6973575), wk = 0.0037037 k( 198) = ( 0.1759259 0.2856925 0.7128543), wk = 0.0037037 k( 199) = ( 0.1851852 0.2732660 0.7283512), wk = 0.0037037 k( 200) = ( 0.1944444 0.2608395 0.7438480), wk = 0.0037037 k( 201) = ( 0.2037037 0.2484130 0.7593448), wk = 0.0037037 k( 202) = ( 0.2129630 0.2359865 0.7748417), wk = 0.0037037 k( 203) = ( 0.2222222 0.2235600 0.7903385), wk = 0.0037037 k( 204) = ( 0.2314815 0.2111335 0.8058353), wk = 0.0037037 k( 205) = ( 0.2407407 0.1987070 0.8213322), wk = 0.0037037 k( 206) = ( 0.2500000 0.1862805 0.8368290), wk = 0.0037037 k( 207) = ( 0.2500000 0.1862805 0.8368290), wk = 0.0037037 k( 208) = ( 0.2638889 0.1966294 0.8239231), wk = 0.0037037 k( 209) = ( 0.2777778 0.2069783 0.8110172), wk = 0.0037037 k( 210) = ( 0.2916667 0.2173272 0.7981113), wk = 0.0037037 k( 211) = ( 0.3055556 0.2276761 0.7852053), wk = 0.0037037 k( 212) = ( 0.3194444 0.2380250 0.7722994), wk = 0.0037037 k( 213) = ( 0.3333333 0.2483740 0.7593935), wk = 0.0037037 k( 214) = ( 0.3472222 0.2587229 0.7464876), wk = 0.0037037 k( 215) = ( 0.3611111 0.2690718 0.7335817), wk = 0.0037037 k( 216) = ( 0.3750000 0.2794207 0.7206758), wk = 0.0037037 k( 217) = ( 0.3888889 0.2897696 0.7077698), wk = 0.0037037 k( 218) = ( 0.4027778 0.3001185 0.6948639), wk = 0.0037037 k( 219) = ( 0.4166667 0.3104675 0.6819580), wk = 0.0037037 k( 220) = ( 0.4305556 0.3208164 0.6690521), wk = 0.0037037 k( 221) = ( 0.4444444 0.3311653 0.6561462), wk = 0.0037037 k( 222) = ( 0.4583333 0.3415142 0.6432402), wk = 0.0037037 k( 223) = ( 0.4722222 0.3518631 0.6303343), wk = 0.0037037 k( 224) = ( 0.4861111 0.3622120 0.6174284), wk = 0.0037037 k( 225) = ( 0.5000000 0.3725610 0.6045225), wk = 0.0037037 k( 226) = ( 0.5000000 0.3725610 0.6045225), wk = 0.0037037 k( 227) = ( 0.5000000 0.3725610 0.5829324), wk = 0.0037037 k( 228) = ( 0.5000000 0.3725610 0.5613423), wk = 0.0037037 k( 229) = ( 0.5000000 0.3725610 0.5397522), wk = 0.0037037 k( 230) = ( 0.5000000 0.3725610 0.5181621), wk = 0.0037037 k( 231) = ( 0.5000000 0.3725610 0.4965720), wk = 0.0037037 k( 232) = ( 0.5000000 0.3725610 0.4749820), wk = 0.0037037 k( 233) = ( 0.5000000 0.3725610 0.4533919), wk = 0.0037037 k( 234) = ( 0.5000000 0.3725610 0.4318018), wk = 0.0037037 k( 235) = ( 0.5000000 0.3725610 0.4102117), wk = 0.0037037 k( 236) = ( 0.5000000 0.3725610 0.3886216), wk = 0.0037037 k( 237) = ( 0.5000000 0.3725610 0.3670315), wk = 0.0037037 k( 238) = ( 0.5000000 0.3725610 0.3454414), wk = 0.0037037 k( 239) = ( 0.5000000 0.3725610 0.3238513), wk = 0.0037037 k( 240) = ( 0.5000000 0.3725610 0.3022612), wk = 0.0037037 k( 241) = ( 0.5000000 0.3725610 0.2806712), wk = 0.0037037 k( 242) = ( 0.5000000 0.3725610 0.2590811), wk = 0.0037037 k( 243) = ( 0.5000000 0.3725610 0.2374910), wk = 0.0037037 k( 244) = ( 0.5000000 0.3725610 0.2159009), wk = 0.0037037 k( 245) = ( 0.5000000 0.3725610 0.1943108), wk = 0.0037037 k( 246) = ( 0.5000000 0.3725610 0.1727207), wk = 0.0037037 k( 247) = ( 0.5000000 0.3725610 0.1511306), wk = 0.0037037 k( 248) = ( 0.5000000 0.3725610 0.1295405), wk = 0.0037037 k( 249) = ( 0.5000000 0.3725610 0.1079504), wk = 0.0037037 k( 250) = ( 0.5000000 0.3725610 0.0863604), wk = 0.0037037 k( 251) = ( 0.5000000 0.3725610 0.0647703), wk = 0.0037037 k( 252) = ( 0.5000000 0.3725610 0.0431802), wk = 0.0037037 k( 253) = ( 0.5000000 0.3725610 0.0215901), wk = 0.0037037 k( 254) = ( 0.5000000 0.3725610 -0.0000000), wk = 0.0037037 k( 255) = ( 0.0000000 0.0000000 0.8368290), wk = 0.0037037 k( 256) = ( 0.0166667 0.0124187 0.8368290), wk = 0.0037037 k( 257) = ( 0.0333333 0.0248374 0.8368290), wk = 0.0037037 k( 258) = ( 0.0500000 0.0372561 0.8368290), wk = 0.0037037 k( 259) = ( 0.0666667 0.0496748 0.8368290), wk = 0.0037037 k( 260) = ( 0.0833333 0.0620935 0.8368290), wk = 0.0037037 k( 261) = ( 0.1000000 0.0745122 0.8368290), wk = 0.0037037 k( 262) = ( 0.1166667 0.0869309 0.8368290), wk = 0.0037037 k( 263) = ( 0.1333333 0.0993496 0.8368290), wk = 0.0037037 k( 264) = ( 0.1500000 0.1117683 0.8368290), wk = 0.0037037 k( 265) = ( 0.1666667 0.1241870 0.8368290), wk = 0.0037037 k( 266) = ( 0.1833333 0.1366057 0.8368290), wk = 0.0037037 k( 267) = ( 0.2000000 0.1490244 0.8368290), wk = 0.0037037 k( 268) = ( 0.2166667 0.1614431 0.8368290), wk = 0.0037037 k( 269) = ( 0.2333333 0.1738618 0.8368290), wk = 0.0037037 k( 270) = ( 0.2500000 0.1862805 0.8368290), wk = 0.0037037 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037037 k( 2) = ( 0.0000000 0.0000000 0.0128205), wk = 0.0037037 k( 3) = ( 0.0000000 0.0000000 0.0256410), wk = 0.0037037 k( 4) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0037037 k( 5) = ( 0.0000000 0.0000000 0.0512820), wk = 0.0037037 k( 6) = ( 0.0000000 0.0000000 0.0641026), wk = 0.0037037 k( 7) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0037037 k( 8) = ( 0.0000000 0.0000000 0.0897436), wk = 0.0037037 k( 9) = ( 0.0000000 0.0000000 0.1025641), wk = 0.0037037 k( 10) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0037037 k( 11) = ( 0.0000000 0.0000000 0.1282051), wk = 0.0037037 k( 12) = ( 0.0000000 0.0000000 0.1410256), wk = 0.0037037 k( 13) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0037037 k( 14) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0037037 k( 15) = ( 0.0000000 0.0000000 0.1794872), wk = 0.0037037 k( 16) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0037037 k( 17) = ( 0.0000000 0.0000000 0.2051282), wk = 0.0037037 k( 18) = ( 0.0000000 0.0000000 0.2179487), wk = 0.0037037 k( 19) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0037037 k( 20) = ( 0.0000000 0.0000000 0.2435897), wk = 0.0037037 k( 21) = ( 0.0000000 0.0000000 0.2564103), wk = 0.0037037 k( 22) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0037037 k( 23) = ( 0.0000000 0.0000000 0.2820513), wk = 0.0037037 k( 24) = ( 0.0000000 0.0000000 0.2948718), wk = 0.0037037 k( 25) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0037037 k( 26) = ( 0.0000000 0.0000000 0.3205128), wk = 0.0037037 k( 27) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0037037 k( 28) = ( 0.0000000 0.0000000 0.3461538), wk = 0.0037037 k( 29) = ( 0.0000000 0.0000000 0.3589744), wk = 0.0037037 k( 30) = ( 0.0000000 0.0000000 0.3717949), wk = 0.0037037 k( 31) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0037037 k( 32) = ( 0.0000000 0.0000000 0.3974359), wk = 0.0037037 k( 33) = ( 0.0000000 0.0000000 0.4102564), wk = 0.0037037 k( 34) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0037037 k( 35) = ( 0.0000000 0.0000000 0.4358974), wk = 0.0037037 k( 36) = ( 0.0000000 0.0000000 0.4487179), wk = 0.0037037 k( 37) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0037037 k( 38) = ( 0.0000000 0.0000000 0.4743590), wk = 0.0037037 k( 39) = ( 0.0000000 0.0000000 0.4871795), wk = 0.0037037 k( 40) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037037 k( 41) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037037 k( 42) = ( -0.0126183 0.0126183 0.5000000), wk = 0.0037037 k( 43) = ( -0.0252367 0.0252367 0.5000000), wk = 0.0037037 k( 44) = ( -0.0378550 0.0378550 0.5000000), wk = 0.0037037 k( 45) = ( -0.0504733 0.0504733 0.5000000), wk = 0.0037037 k( 46) = ( -0.0630917 0.0630917 0.5000000), wk = 0.0037037 k( 47) = ( -0.0757100 0.0757100 0.5000000), wk = 0.0037037 k( 48) = ( -0.0883283 0.0883283 0.5000000), wk = 0.0037037 k( 49) = ( -0.1009467 0.1009467 0.5000000), wk = 0.0037037 k( 50) = ( -0.1135650 0.1135650 0.5000000), wk = 0.0037037 k( 51) = ( -0.1261833 0.1261833 0.5000000), wk = 0.0037037 k( 52) = ( -0.1388017 0.1388017 0.5000000), wk = 0.0037037 k( 53) = ( -0.1388017 0.1388017 0.5000000), wk = 0.0037037 k( 54) = ( -0.1478316 0.1478316 0.4909700), wk = 0.0037037 k( 55) = ( -0.1568616 0.1568616 0.4819401), wk = 0.0037037 k( 56) = ( -0.1658915 0.1658915 0.4729101), wk = 0.0037037 k( 57) = ( -0.1749215 0.1749215 0.4638802), wk = 0.0037037 k( 58) = ( -0.1839514 0.1839514 0.4548502), wk = 0.0037037 k( 59) = ( -0.1929814 0.1929814 0.4458202), wk = 0.0037037 k( 60) = ( -0.2020114 0.2020114 0.4367903), wk = 0.0037037 k( 61) = ( -0.2110413 0.2110413 0.4277603), wk = 0.0037037 k( 62) = ( -0.2200713 0.2200713 0.4187304), wk = 0.0037037 k( 63) = ( -0.2291013 0.2291013 0.4097004), wk = 0.0037037 k( 64) = ( -0.2381312 0.2381312 0.4006705), wk = 0.0037037 k( 65) = ( -0.2471612 0.2471612 0.3916405), wk = 0.0037037 k( 66) = ( -0.2561911 0.2561911 0.3826105), wk = 0.0037037 k( 67) = ( -0.2652211 0.2652211 0.3735806), wk = 0.0037037 k( 68) = ( -0.2742510 0.2742510 0.3645506), wk = 0.0037037 k( 69) = ( -0.2832810 0.2832810 0.3555207), wk = 0.0037037 k( 70) = ( -0.2923110 0.2923110 0.3464907), wk = 0.0037037 k( 71) = ( -0.3013409 0.3013409 0.3374607), wk = 0.0037037 k( 72) = ( -0.3103709 0.3103709 0.3284308), wk = 0.0037037 k( 73) = ( -0.3194008 0.3194008 0.3194008), wk = 0.0037037 k( 74) = ( -0.3194008 0.3194008 0.3194008), wk = 0.0037037 k( 75) = ( -0.3102751 0.3102751 0.3102751), wk = 0.0037037 k( 76) = ( -0.3011494 0.3011494 0.3011494), wk = 0.0037037 k( 77) = ( -0.2920236 0.2920236 0.2920236), wk = 0.0037037 k( 78) = ( -0.2828979 0.2828979 0.2828979), wk = 0.0037037 k( 79) = ( -0.2737721 0.2737721 0.2737721), wk = 0.0037037 k( 80) = ( -0.2646464 0.2646464 0.2646464), wk = 0.0037037 k( 81) = ( -0.2555207 0.2555207 0.2555207), wk = 0.0037037 k( 82) = ( -0.2463949 0.2463949 0.2463949), wk = 0.0037037 k( 83) = ( -0.2372692 0.2372692 0.2372692), wk = 0.0037037 k( 84) = ( -0.2281434 0.2281434 0.2281434), wk = 0.0037037 k( 85) = ( -0.2190177 0.2190177 0.2190177), wk = 0.0037037 k( 86) = ( -0.2098920 0.2098920 0.2098920), wk = 0.0037037 k( 87) = ( -0.2007662 0.2007662 0.2007662), wk = 0.0037037 k( 88) = ( -0.1916405 0.1916405 0.1916405), wk = 0.0037037 k( 89) = ( -0.1825148 0.1825148 0.1825148), wk = 0.0037037 k( 90) = ( -0.1733890 0.1733890 0.1733890), wk = 0.0037037 k( 91) = ( -0.1642633 0.1642633 0.1642633), wk = 0.0037037 k( 92) = ( -0.1551376 0.1551376 0.1551375), wk = 0.0037037 k( 93) = ( -0.1460118 0.1460118 0.1460118), wk = 0.0037037 k( 94) = ( -0.1368861 0.1368861 0.1368861), wk = 0.0037037 k( 95) = ( -0.1277603 0.1277603 0.1277603), wk = 0.0037037 k( 96) = ( -0.1186346 0.1186346 0.1186346), wk = 0.0037037 k( 97) = ( -0.1095089 0.1095089 0.1095089), wk = 0.0037037 k( 98) = ( -0.1003831 0.1003831 0.1003831), wk = 0.0037037 k( 99) = ( -0.0912574 0.0912574 0.0912574), wk = 0.0037037 k( 100) = ( -0.0821316 0.0821316 0.0821316), wk = 0.0037037 k( 101) = ( -0.0730059 0.0730059 0.0730059), wk = 0.0037037 k( 102) = ( -0.0638802 0.0638802 0.0638802), wk = 0.0037037 k( 103) = ( -0.0547544 0.0547544 0.0547544), wk = 0.0037037 k( 104) = ( -0.0456287 0.0456287 0.0456287), wk = 0.0037037 k( 105) = ( -0.0365029 0.0365029 0.0365029), wk = 0.0037037 k( 106) = ( -0.0273772 0.0273772 0.0273772), wk = 0.0037037 k( 107) = ( -0.0182515 0.0182515 0.0182515), wk = 0.0037037 k( 108) = ( -0.0091257 0.0091257 0.0091257), wk = 0.0037037 k( 109) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037037 k( 110) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037037 k( 111) = ( 0.0172414 0.0172414 -0.0172414), wk = 0.0037037 k( 112) = ( 0.0344828 0.0344828 -0.0344828), wk = 0.0037037 k( 113) = ( 0.0517241 0.0517241 -0.0517241), wk = 0.0037037 k( 114) = ( 0.0689655 0.0689655 -0.0689655), wk = 0.0037037 k( 115) = ( 0.0862069 0.0862069 -0.0862069), wk = 0.0037037 k( 116) = ( 0.1034483 0.1034483 -0.1034483), wk = 0.0037037 k( 117) = ( 0.1206897 0.1206897 -0.1206897), wk = 0.0037037 k( 118) = ( 0.1379310 0.1379310 -0.1379310), wk = 0.0037037 k( 119) = ( 0.1551724 0.1551724 -0.1551724), wk = 0.0037037 k( 120) = ( 0.1724138 0.1724138 -0.1724138), wk = 0.0037037 k( 121) = ( 0.1896552 0.1896552 -0.1896552), wk = 0.0037037 k( 122) = ( 0.2068966 0.2068966 -0.2068965), wk = 0.0037037 k( 123) = ( 0.2241379 0.2241379 -0.2241379), wk = 0.0037037 k( 124) = ( 0.2413793 0.2413793 -0.2413793), wk = 0.0037037 k( 125) = ( 0.2586207 0.2586207 -0.2586207), wk = 0.0037037 k( 126) = ( 0.2758621 0.2758621 -0.2758621), wk = 0.0037037 k( 127) = ( 0.2931034 0.2931034 -0.2931034), wk = 0.0037037 k( 128) = ( 0.3103448 0.3103448 -0.3103448), wk = 0.0037037 k( 129) = ( 0.3275862 0.3275862 -0.3275862), wk = 0.0037037 k( 130) = ( 0.3448276 0.3448276 -0.3448276), wk = 0.0037037 k( 131) = ( 0.3620690 0.3620690 -0.3620690), wk = 0.0037037 k( 132) = ( 0.3793103 0.3793103 -0.3793103), wk = 0.0037037 k( 133) = ( 0.3965517 0.3965517 -0.3965517), wk = 0.0037037 k( 134) = ( 0.4137931 0.4137931 -0.4137931), wk = 0.0037037 k( 135) = ( 0.4310345 0.4310345 -0.4310345), wk = 0.0037037 k( 136) = ( 0.4482759 0.4482759 -0.4482759), wk = 0.0037037 k( 137) = ( 0.4655172 0.4655172 -0.4655172), wk = 0.0037037 k( 138) = ( 0.4827586 0.4827586 -0.4827586), wk = 0.0037037 k( 139) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0037037 k( 140) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0037037 k( 141) = ( 0.4909700 0.5090300 -0.4909700), wk = 0.0037037 k( 142) = ( 0.4819401 0.5180599 -0.4819401), wk = 0.0037037 k( 143) = ( 0.4729101 0.5270899 -0.4729101), wk = 0.0037037 k( 144) = ( 0.4638802 0.5361198 -0.4638802), wk = 0.0037037 k( 145) = ( 0.4548502 0.5451498 -0.4548502), wk = 0.0037037 k( 146) = ( 0.4458202 0.5541797 -0.4458202), wk = 0.0037037 k( 147) = ( 0.4367903 0.5632097 -0.4367903), wk = 0.0037037 k( 148) = ( 0.4277603 0.5722397 -0.4277603), wk = 0.0037037 k( 149) = ( 0.4187304 0.5812696 -0.4187304), wk = 0.0037037 k( 150) = ( 0.4097004 0.5902996 -0.4097004), wk = 0.0037037 k( 151) = ( 0.4006705 0.5993295 -0.4006705), wk = 0.0037037 k( 152) = ( 0.3916405 0.6083595 -0.3916405), wk = 0.0037037 k( 153) = ( 0.3826105 0.6173895 -0.3826105), wk = 0.0037037 k( 154) = ( 0.3735806 0.6264194 -0.3735806), wk = 0.0037037 k( 155) = ( 0.3645506 0.6354494 -0.3645506), wk = 0.0037037 k( 156) = ( 0.3555207 0.6444793 -0.3555207), wk = 0.0037037 k( 157) = ( 0.3464907 0.6535093 -0.3464907), wk = 0.0037037 k( 158) = ( 0.3374607 0.6625393 -0.3374607), wk = 0.0037037 k( 159) = ( 0.3284308 0.6715692 -0.3284308), wk = 0.0037037 k( 160) = ( 0.3194008 0.6805992 -0.3194008), wk = 0.0037037 k( 161) = ( 0.3194008 0.6805992 -0.3194008), wk = 0.0037037 k( 162) = ( 0.3006125 0.6699757 -0.3006125), wk = 0.0037037 k( 163) = ( 0.2818243 0.6593522 -0.2818243), wk = 0.0037037 k( 164) = ( 0.2630360 0.6487287 -0.2630360), wk = 0.0037037 k( 165) = ( 0.2442477 0.6381053 -0.2442477), wk = 0.0037037 k( 166) = ( 0.2254594 0.6274818 -0.2254594), wk = 0.0037037 k( 167) = ( 0.2066711 0.6168583 -0.2066711), wk = 0.0037037 k( 168) = ( 0.1878828 0.6062348 -0.1878828), wk = 0.0037037 k( 169) = ( 0.1690946 0.5956113 -0.1690946), wk = 0.0037037 k( 170) = ( 0.1503063 0.5849878 -0.1503063), wk = 0.0037037 k( 171) = ( 0.1315180 0.5743644 -0.1315180), wk = 0.0037037 k( 172) = ( 0.1127297 0.5637409 -0.1127297), wk = 0.0037037 k( 173) = ( 0.0939414 0.5531174 -0.0939414), wk = 0.0037037 k( 174) = ( 0.0751531 0.5424939 -0.0751531), wk = 0.0037037 k( 175) = ( 0.0563649 0.5318704 -0.0563649), wk = 0.0037037 k( 176) = ( 0.0375766 0.5212470 -0.0375766), wk = 0.0037037 k( 177) = ( 0.0187883 0.5106235 -0.0187883), wk = 0.0037037 k( 178) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0037037 k( 179) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0037037 k( 180) = ( 0.0092593 0.4907407 0.0092593), wk = 0.0037037 k( 181) = ( 0.0185185 0.4814815 0.0185185), wk = 0.0037037 k( 182) = ( 0.0277778 0.4722222 0.0277778), wk = 0.0037037 k( 183) = ( 0.0370370 0.4629630 0.0370370), wk = 0.0037037 k( 184) = ( 0.0462963 0.4537037 0.0462963), wk = 0.0037037 k( 185) = ( 0.0555556 0.4444444 0.0555556), wk = 0.0037037 k( 186) = ( 0.0648148 0.4351852 0.0648148), wk = 0.0037037 k( 187) = ( 0.0740741 0.4259259 0.0740741), wk = 0.0037037 k( 188) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0037037 k( 189) = ( 0.0925926 0.4074074 0.0925926), wk = 0.0037037 k( 190) = ( 0.1018518 0.3981481 0.1018518), wk = 0.0037037 k( 191) = ( 0.1111111 0.3888889 0.1111111), wk = 0.0037037 k( 192) = ( 0.1203704 0.3796296 0.1203704), wk = 0.0037037 k( 193) = ( 0.1296296 0.3703704 0.1296296), wk = 0.0037037 k( 194) = ( 0.1388889 0.3611111 0.1388889), wk = 0.0037037 k( 195) = ( 0.1481482 0.3518519 0.1481481), wk = 0.0037037 k( 196) = ( 0.1574074 0.3425926 0.1574074), wk = 0.0037037 k( 197) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0037037 k( 198) = ( 0.1759259 0.3240741 0.1759259), wk = 0.0037037 k( 199) = ( 0.1851852 0.3148148 0.1851852), wk = 0.0037037 k( 200) = ( 0.1944444 0.3055556 0.1944444), wk = 0.0037037 k( 201) = ( 0.2037037 0.2962963 0.2037037), wk = 0.0037037 k( 202) = ( 0.2129630 0.2870370 0.2129630), wk = 0.0037037 k( 203) = ( 0.2222222 0.2777778 0.2222222), wk = 0.0037037 k( 204) = ( 0.2314815 0.2685185 0.2314815), wk = 0.0037037 k( 205) = ( 0.2407407 0.2592593 0.2407407), wk = 0.0037037 k( 206) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0037037 k( 207) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0037037 k( 208) = ( 0.2638889 0.2638889 0.2283999), wk = 0.0037037 k( 209) = ( 0.2777778 0.2777778 0.2067998), wk = 0.0037037 k( 210) = ( 0.2916667 0.2916667 0.1851997), wk = 0.0037037 k( 211) = ( 0.3055556 0.3055556 0.1635996), wk = 0.0037037 k( 212) = ( 0.3194444 0.3194444 0.1419995), wk = 0.0037037 k( 213) = ( 0.3333333 0.3333333 0.1203995), wk = 0.0037037 k( 214) = ( 0.3472222 0.3472222 0.0987994), wk = 0.0037037 k( 215) = ( 0.3611111 0.3611111 0.0771993), wk = 0.0037037 k( 216) = ( 0.3750000 0.3750000 0.0555992), wk = 0.0037037 k( 217) = ( 0.3888889 0.3888889 0.0339991), wk = 0.0037037 k( 218) = ( 0.4027778 0.4027778 0.0123990), wk = 0.0037037 k( 219) = ( 0.4166667 0.4166667 -0.0092011), wk = 0.0037037 k( 220) = ( 0.4305556 0.4305556 -0.0308012), wk = 0.0037037 k( 221) = ( 0.4444444 0.4444444 -0.0524013), wk = 0.0037037 k( 222) = ( 0.4583333 0.4583333 -0.0740014), wk = 0.0037037 k( 223) = ( 0.4722222 0.4722222 -0.0956015), wk = 0.0037037 k( 224) = ( 0.4861111 0.4861111 -0.1172016), wk = 0.0037037 k( 225) = ( 0.5000000 0.5000000 -0.1388017), wk = 0.0037037 k( 226) = ( 0.5000000 0.5000000 -0.1388017), wk = 0.0037037 k( 227) = ( 0.5000000 0.5000000 -0.1517016), wk = 0.0037037 k( 228) = ( 0.5000000 0.5000000 -0.1646015), wk = 0.0037037 k( 229) = ( 0.5000000 0.5000000 -0.1775015), wk = 0.0037037 k( 230) = ( 0.5000000 0.5000000 -0.1904014), wk = 0.0037037 k( 231) = ( 0.5000000 0.5000000 -0.2033014), wk = 0.0037037 k( 232) = ( 0.5000000 0.5000000 -0.2162013), wk = 0.0037037 k( 233) = ( 0.5000000 0.5000000 -0.2291012), wk = 0.0037037 k( 234) = ( 0.5000000 0.5000000 -0.2420012), wk = 0.0037037 k( 235) = ( 0.5000000 0.5000000 -0.2549011), wk = 0.0037037 k( 236) = ( 0.5000000 0.5000000 -0.2678011), wk = 0.0037037 k( 237) = ( 0.5000000 0.5000000 -0.2807010), wk = 0.0037037 k( 238) = ( 0.5000000 0.5000000 -0.2936009), wk = 0.0037037 k( 239) = ( 0.5000000 0.5000000 -0.3065009), wk = 0.0037037 k( 240) = ( 0.5000000 0.5000000 -0.3194008), wk = 0.0037037 k( 241) = ( 0.5000000 0.5000000 -0.3323008), wk = 0.0037037 k( 242) = ( 0.5000000 0.5000000 -0.3452007), wk = 0.0037037 k( 243) = ( 0.5000000 0.5000000 -0.3581007), wk = 0.0037037 k( 244) = ( 0.5000000 0.5000000 -0.3710006), wk = 0.0037037 k( 245) = ( 0.5000000 0.5000000 -0.3839005), wk = 0.0037037 k( 246) = ( 0.5000000 0.5000000 -0.3968005), wk = 0.0037037 k( 247) = ( 0.5000000 0.5000000 -0.4097004), wk = 0.0037037 k( 248) = ( 0.5000000 0.5000000 -0.4226004), wk = 0.0037037 k( 249) = ( 0.5000000 0.5000000 -0.4355003), wk = 0.0037037 k( 250) = ( 0.5000000 0.5000000 -0.4484002), wk = 0.0037037 k( 251) = ( 0.5000000 0.5000000 -0.4613002), wk = 0.0037037 k( 252) = ( 0.5000000 0.5000000 -0.4742001), wk = 0.0037037 k( 253) = ( 0.5000000 0.5000000 -0.4871001), wk = 0.0037037 k( 254) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0037037 k( 255) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037037 k( 256) = ( 0.0166667 0.0166667 0.4833333), wk = 0.0037037 k( 257) = ( 0.0333333 0.0333333 0.4666667), wk = 0.0037037 k( 258) = ( 0.0500000 0.0500000 0.4500000), wk = 0.0037037 k( 259) = ( 0.0666667 0.0666667 0.4333333), wk = 0.0037037 k( 260) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0037037 k( 261) = ( 0.1000000 0.1000000 0.4000000), wk = 0.0037037 k( 262) = ( 0.1166667 0.1166667 0.3833333), wk = 0.0037037 k( 263) = ( 0.1333333 0.1333333 0.3666667), wk = 0.0037037 k( 264) = ( 0.1500000 0.1500000 0.3500000), wk = 0.0037037 k( 265) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0037037 k( 266) = ( 0.1833333 0.1833333 0.3166667), wk = 0.0037037 k( 267) = ( 0.2000000 0.2000000 0.3000000), wk = 0.0037037 k( 268) = ( 0.2166667 0.2166667 0.2833333), wk = 0.0037037 k( 269) = ( 0.2333333 0.2333333 0.2666667), wk = 0.0037037 k( 270) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0037037 Dense grid: 163453 G-vectors FFT dimensions: ( 81, 81, 81) Smooth grid: 78011 G-vectors FFT dimensions: ( 64, 64, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.36 Mb ( 412, 58) NL pseudopotentials 0.35 Mb ( 206, 112) Each V/rho on FFT grid 0.20 Mb ( 13122) Each G-vector array 0.03 Mb ( 3405) G-vector shells 0.01 Mb ( 1580) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.46 Mb ( 412, 232) Each subspace H/S matrix 0.82 Mb ( 232, 232) Each matrix 0.20 Mb ( 112, 2, 58) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./MgGeAs2.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 40.9 secs Computing kpt #: 2 total cpu time spent up to now is 44.9 secs Computing kpt #: 3 total cpu time spent up to now is 48.3 secs Computing kpt #: 4 total cpu time spent up to now is 51.6 secs Computing kpt #: 5 total cpu time spent up to now is 54.7 secs Computing kpt #: 6 total cpu time spent up to now is 57.9 secs Computing kpt #: 7 total cpu time spent up to now is 61.2 secs Computing kpt #: 8 total cpu time spent up to now is 64.5 secs Computing kpt #: 9 total cpu time spent up to now is 68.1 secs Computing kpt #: 10 total cpu time spent up to now is 71.5 secs Computing kpt #: 11 total cpu time spent up to now is 76.3 secs Computing kpt #: 12 total cpu time spent up to now is 80.0 secs Computing kpt #: 13 total cpu time spent up to now is 83.6 secs Computing kpt #: 14 total cpu time spent up to now is 87.0 secs Computing kpt #: 15 total cpu time spent up to now is 90.6 secs Computing kpt #: 16 total cpu time spent up to now is 94.2 secs Computing kpt #: 17 total cpu time spent up to now is 97.9 secs Computing kpt #: 18 total cpu time spent up to now is 101.8 secs Computing kpt #: 19 total cpu time spent up to now is 106.1 secs Computing kpt #: 20 total cpu time spent up to now is 110.1 secs Computing kpt #: 21 total cpu time spent up to now is 114.1 secs Computing kpt #: 22 total cpu time spent up to now is 119.1 secs Computing kpt #: 23 total cpu time spent up to now is 123.1 secs Computing kpt #: 24 total cpu time spent up to now is 127.0 secs Computing kpt #: 25 total cpu time spent up to now is 131.0 secs Computing kpt #: 26 total cpu time spent up to now is 135.1 secs Computing kpt #: 27 total cpu time spent up to now is 139.0 secs Computing kpt #: 28 total cpu time spent up to now is 143.3 secs Computing kpt #: 29 total cpu time spent up to now is 147.5 secs Computing kpt #: 30 total cpu time spent up to now is 151.7 secs Computing kpt #: 31 total cpu time spent up to now is 156.0 secs Computing kpt #: 32 total cpu time spent up to now is 160.8 secs Computing kpt #: 33 total cpu time spent up to now is 165.3 secs Computing kpt #: 34 total cpu time spent up to now is 169.5 secs Computing kpt #: 35 total cpu time spent up to now is 173.7 secs Computing kpt #: 36 total cpu time spent up to now is 177.7 secs Computing kpt #: 37 total cpu time spent up to now is 181.9 secs Computing kpt #: 38 total cpu time spent up to now is 186.0 secs Computing kpt #: 39 total cpu time spent up to now is 190.1 secs Computing kpt #: 40 total cpu time spent up to now is 194.2 secs Computing kpt #: 41 total cpu time spent up to now is 198.2 secs Computing kpt #: 42 total cpu time spent up to now is 202.1 secs Computing kpt #: 43 total cpu time spent up to now is 207.4 secs Computing kpt #: 44 total cpu time spent up to now is 213.0 secs Computing kpt #: 45 total cpu time spent up to now is 217.5 secs Computing kpt #: 46 total cpu time spent up to now is 221.7 secs Computing kpt #: 47 total cpu time spent up to now is 225.9 secs Computing kpt #: 48 total cpu time spent up to now is 230.0 secs Computing kpt #: 49 total cpu time spent up to now is 234.2 secs Computing kpt #: 50 total cpu time spent up to now is 238.4 secs Computing kpt #: 51 total cpu time spent up to now is 242.7 secs Computing kpt #: 52 total cpu time spent up to now is 247.1 secs Computing kpt #: 53 total cpu time spent up to now is 251.7 secs Computing kpt #: 54 total cpu time spent up to now is 256.5 secs Computing kpt #: 55 total cpu time spent up to now is 260.9 secs Computing kpt #: 56 total cpu time spent up to now is 265.3 secs Computing kpt #: 57 total cpu time spent up to now is 269.6 secs Computing kpt #: 58 total cpu time spent up to now is 273.4 secs Computing kpt #: 59 total cpu time spent up to now is 278.2 secs Computing kpt #: 60 total cpu time spent up to now is 282.0 secs Computing kpt #: 61 total cpu time spent up to now is 285.5 secs Computing kpt #: 62 total cpu time spent up to now is 289.0 secs Computing kpt #: 63 total cpu time spent up to now is 292.6 secs Computing kpt #: 64 total cpu time spent up to now is 296.0 secs Computing kpt #: 65 total cpu time spent up to now is 299.8 secs Computing kpt #: 66 total cpu time spent up to now is 303.5 secs Computing kpt #: 67 total cpu time spent up to now is 307.2 secs Computing kpt #: 68 total cpu time spent up to now is 311.0 secs Computing kpt #: 69 total cpu time spent up to now is 314.7 secs Computing kpt #: 70 total cpu time spent up to now is 318.3 secs Computing kpt #: 71 total cpu time spent up to now is 322.1 secs Computing kpt #: 72 total cpu time spent up to now is 325.9 secs Computing kpt #: 73 total cpu time spent up to now is 329.7 secs Computing kpt #: 74 total cpu time spent up to now is 333.4 secs Computing kpt #: 75 total cpu time spent up to now is 337.4 secs Computing kpt #: 76 total cpu time spent up to now is 341.8 secs Computing kpt #: 77 total cpu time spent up to now is 346.2 secs Computing kpt #: 78 total cpu time spent up to now is 351.4 secs Computing kpt #: 79 total cpu time spent up to now is 356.0 secs Computing kpt #: 80 total cpu time spent up to now is 360.5 secs Computing kpt #: 81 total cpu time spent up to now is 364.6 secs Computing kpt #: 82 total cpu time spent up to now is 368.7 secs Computing kpt #: 83 total cpu time spent up to now is 373.0 secs Computing kpt #: 84 total cpu time spent up to now is 377.3 secs Computing kpt #: 85 total cpu time spent up to now is 381.5 secs Computing kpt #: 86 total cpu time spent up to now is 386.0 secs Computing kpt #: 87 total cpu time spent up to now is 390.8 secs Computing kpt #: 88 total cpu time spent up to now is 395.1 secs Computing kpt #: 89 total cpu time spent up to now is 399.2 secs Computing kpt #: 90 total cpu time spent up to now is 402.8 secs Computing kpt #: 91 total cpu time spent up to now is 406.5 secs Computing kpt #: 92 total cpu time spent up to now is 410.0 secs Computing kpt #: 93 total cpu time spent up to now is 413.4 secs Computing kpt #: 94 total cpu time spent up to now is 416.8 secs Computing kpt #: 95 total cpu time spent up to now is 420.4 secs Computing kpt #: 96 total cpu time spent up to now is 423.9 secs Computing kpt #: 97 total cpu time spent up to now is 427.3 secs Computing kpt #: 98 total cpu time spent up to now is 431.0 secs Computing kpt #: 99 total cpu time spent up to now is 434.4 secs Computing kpt #: 100 total cpu time spent up to now is 437.8 secs Computing kpt #: 101 total cpu time spent up to now is 441.1 secs Computing kpt #: 102 total cpu time spent up to now is 444.5 secs Computing kpt #: 103 total cpu time spent up to now is 447.7 secs Computing kpt #: 104 total cpu time spent up to now is 451.0 secs Computing kpt #: 105 total cpu time spent up to now is 454.2 secs Computing kpt #: 106 total cpu time spent up to now is 457.3 secs Computing kpt #: 107 total cpu time spent up to now is 460.4 secs Computing kpt #: 108 total cpu time spent up to now is 463.6 secs Computing kpt #: 109 total cpu time spent up to now is 466.6 secs Computing kpt #: 110 total cpu time spent up to now is 469.7 secs Computing kpt #: 111 total cpu time spent up to now is 472.8 secs Computing kpt #: 112 total cpu time spent up to now is 476.0 secs Computing kpt #: 113 total cpu time spent up to now is 479.0 secs Computing kpt #: 114 total cpu time spent up to now is 482.1 secs Computing kpt #: 115 total cpu time spent up to now is 485.6 secs Computing kpt #: 116 total cpu time spent up to now is 489.5 secs Computing kpt #: 117 total cpu time spent up to now is 493.2 secs Computing kpt #: 118 total cpu time spent up to now is 497.0 secs Computing kpt #: 119 total cpu time spent up to now is 501.2 secs Computing kpt #: 120 total cpu time spent up to now is 505.1 secs Computing kpt #: 121 total cpu time spent up to now is 511.0 secs Computing kpt #: 122 total cpu time spent up to now is 515.0 secs Computing kpt #: 123 total cpu time spent up to now is 518.6 secs Computing kpt #: 124 total cpu time spent up to now is 522.4 secs Computing kpt #: 125 total cpu time spent up to now is 525.8 secs Computing kpt #: 126 total cpu time spent up to now is 529.2 secs Computing kpt #: 127 total cpu time spent up to now is 532.6 secs Computing kpt #: 128 total cpu time spent up to now is 536.5 secs Computing kpt #: 129 total cpu time spent up to now is 539.8 secs Computing kpt #: 130 total cpu time spent up to now is 543.3 secs Computing kpt #: 131 total cpu time spent up to now is 546.6 secs Computing kpt #: 132 total cpu time spent up to now is 549.9 secs Computing kpt #: 133 total cpu time spent up to now is 553.3 secs Computing kpt #: 134 total cpu time spent up to now is 556.6 secs Computing kpt #: 135 total cpu time spent up to now is 560.0 secs Computing kpt #: 136 total cpu time spent up to now is 563.5 secs Computing kpt #: 137 total cpu time spent up to now is 567.1 secs Computing kpt #: 138 total cpu time spent up to now is 571.1 secs Computing kpt #: 139 total cpu time spent up to now is 574.4 secs Computing kpt #: 140 total cpu time spent up to now is 577.8 secs Computing kpt #: 141 total cpu time spent up to now is 582.1 secs Computing kpt #: 142 total cpu time spent up to now is 586.4 secs Computing kpt #: 143 total cpu time spent up to now is 590.6 secs Computing kpt #: 144 total cpu time spent up to now is 594.4 secs Computing kpt #: 145 total cpu time spent up to now is 598.6 secs Computing kpt #: 146 total cpu time spent up to now is 602.9 secs Computing kpt #: 147 total cpu time spent up to now is 607.2 secs Computing kpt #: 148 total cpu time spent up to now is 611.7 secs Computing kpt #: 149 total cpu time spent up to now is 616.3 secs Computing kpt #: 150 total cpu time spent up to now is 620.7 secs Computing kpt #: 151 total cpu time spent up to now is 624.6 secs Computing kpt #: 152 total cpu time spent up to now is 628.8 secs Computing kpt #: 153 total cpu time spent up to now is 633.0 secs Computing kpt #: 154 total cpu time spent up to now is 636.9 secs Computing kpt #: 155 total cpu time spent up to now is 640.5 secs Computing kpt #: 156 total cpu time spent up to now is 644.0 secs Computing kpt #: 157 total cpu time spent up to now is 647.6 secs Computing kpt #: 158 total cpu time spent up to now is 651.1 secs Computing kpt #: 159 total cpu time spent up to now is 654.8 secs Computing kpt #: 160 total cpu time spent up to now is 658.6 secs Computing kpt #: 161 total cpu time spent up to now is 662.3 secs Computing kpt #: 162 total cpu time spent up to now is 666.0 secs Computing kpt #: 163 total cpu time spent up to now is 669.8 secs Computing kpt #: 164 total cpu time spent up to now is 673.8 secs Computing kpt #: 165 total cpu time spent up to now is 677.6 secs Computing kpt #: 166 total cpu time spent up to now is 681.9 secs Computing kpt #: 167 total cpu time spent up to now is 686.4 secs Computing kpt #: 168 total cpu time spent up to now is 692.3 secs Computing kpt #: 169 total cpu time spent up to now is 697.1 secs Computing kpt #: 170 total cpu time spent up to now is 702.6 secs Computing kpt #: 171 total cpu time spent up to now is 707.3 secs Computing kpt #: 172 total cpu time spent up to now is 711.8 secs Computing kpt #: 173 total cpu time spent up to now is 716.7 secs Computing kpt #: 174 total cpu time spent up to now is 721.4 secs Computing kpt #: 175 total cpu time spent up to now is 725.8 secs Computing kpt #: 176 total cpu time spent up to now is 730.1 secs Computing kpt #: 177 total cpu time spent up to now is 734.6 secs Computing kpt #: 178 total cpu time spent up to now is 739.2 secs Computing kpt #: 179 total cpu time spent up to now is 743.8 secs Computing kpt #: 180 total cpu time spent up to now is 748.2 secs Computing kpt #: 181 total cpu time spent up to now is 752.7 secs Computing kpt #: 182 total cpu time spent up to now is 757.0 secs Computing kpt #: 183 total cpu time spent up to now is 762.2 secs Computing kpt #: 184 total cpu time spent up to now is 766.6 secs Computing kpt #: 185 total cpu time spent up to now is 771.1 secs Computing kpt #: 186 total cpu time spent up to now is 775.8 secs Computing kpt #: 187 total cpu time spent up to now is 780.4 secs Computing kpt #: 188 total cpu time spent up to now is 785.7 secs Computing kpt #: 189 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 793.4 secs Computing kpt #: 190 total cpu time spent up to now is 798.0 secs Computing kpt #: 191 total cpu time spent up to now is 802.4 secs Computing kpt #: 192 total cpu time spent up to now is 807.6 secs Computing kpt #: 193 total cpu time spent up to now is 813.3 secs Computing kpt #: 194 total cpu time spent up to now is 817.7 secs Computing kpt #: 195 total cpu time spent up to now is 822.3 secs Computing kpt #: 196 total cpu time spent up to now is 826.6 secs Computing kpt #: 197 total cpu time spent up to now is 830.8 secs Computing kpt #: 198 total cpu time spent up to now is 835.0 secs Computing kpt #: 199 total cpu time spent up to now is 839.1 secs Computing kpt #: 200 total cpu time spent up to now is 843.4 secs Computing kpt #: 201 total cpu time spent up to now is 847.7 secs Computing kpt #: 202 total cpu time spent up to now is 851.9 secs Computing kpt #: 203 total cpu time spent up to now is 856.1 secs Computing kpt #: 204 total cpu time spent up to now is 860.5 secs Computing kpt #: 205 total cpu time spent up to now is 865.2 secs Computing kpt #: 206 total cpu time spent up to now is 870.0 secs Computing kpt #: 207 total cpu time spent up to now is 874.3 secs Computing kpt #: 208 total cpu time spent up to now is 879.3 secs Computing kpt #: 209 total cpu time spent up to now is 884.2 secs Computing kpt #: 210 total cpu time spent up to now is 888.4 secs Computing kpt #: 211 total cpu time spent up to now is 892.6 secs Computing kpt #: 212 total cpu time spent up to now is 897.7 secs Computing kpt #: 213 total cpu time spent up to now is 902.6 secs Computing kpt #: 214 total cpu time spent up to now is 906.9 secs Computing kpt #: 215 total cpu time spent up to now is 911.3 secs Computing kpt #: 216 total cpu time spent up to now is 915.6 secs Computing kpt #: 217 total cpu time spent up to now is 919.9 secs Computing kpt #: 218 total cpu time spent up to now is 924.1 secs Computing kpt #: 219 total cpu time spent up to now is 928.6 secs Computing kpt #: 220 total cpu time spent up to now is 932.9 secs Computing kpt #: 221 total cpu time spent up to now is 937.3 secs Computing kpt #: 222 total cpu time spent up to now is 941.8 secs Computing kpt #: 223 total cpu time spent up to now is 946.1 secs Computing kpt #: 224 total cpu time spent up to now is 950.4 secs Computing kpt #: 225 total cpu time spent up to now is 954.7 secs Computing kpt #: 226 total cpu time spent up to now is 959.1 secs Computing kpt #: 227 total cpu time spent up to now is 963.3 secs Computing kpt #: 228 total cpu time spent up to now is 967.5 secs Computing kpt #: 229 total cpu time spent up to now is 972.0 secs Computing kpt #: 230 total cpu time spent up to now is 976.3 secs Computing kpt #: 231 total cpu time spent up to now is 980.6 secs Computing kpt #: 232 total cpu time spent up to now is 984.9 secs Computing kpt #: 233 total cpu time spent up to now is 989.1 secs Computing kpt #: 234 total cpu time spent up to now is 993.3 secs Computing kpt #: 235 total cpu time spent up to now is 997.4 secs Computing kpt #: 236 total cpu time spent up to now is 1001.3 secs Computing kpt #: 237 total cpu time spent up to now is 1005.5 secs Computing kpt #: 238 total cpu time spent up to now is 1009.6 secs Computing kpt #: 239 total cpu time spent up to now is 1013.6 secs Computing kpt #: 240 total cpu time spent up to now is 1017.8 secs Computing kpt #: 241 total cpu time spent up to now is 1022.1 secs Computing kpt #: 242 total cpu time spent up to now is 1026.4 secs Computing kpt #: 243 total cpu time spent up to now is 1030.9 secs Computing kpt #: 244 total cpu time spent up to now is 1035.2 secs Computing kpt #: 245 total cpu time spent up to now is 1039.5 secs Computing kpt #: 246 total cpu time spent up to now is 1043.8 secs Computing kpt #: 247 total cpu time spent up to now is 1048.1 secs Computing kpt #: 248 total cpu time spent up to now is 1052.5 secs Computing kpt #: 249 total cpu time spent up to now is 1056.9 secs Computing kpt #: 250 total cpu time spent up to now is 1061.2 secs Computing kpt #: 251 total cpu time spent up to now is 1065.5 secs Computing kpt #: 252 total cpu time spent up to now is 1069.7 secs Computing kpt #: 253 total cpu time spent up to now is 1074.1 secs Computing kpt #: 254 total cpu time spent up to now is 1077.6 secs Computing kpt #: 255 total cpu time spent up to now is 1081.6 secs Computing kpt #: 256 total cpu time spent up to now is 1085.7 secs Computing kpt #: 257 total cpu time spent up to now is 1089.8 secs Computing kpt #: 258 total cpu time spent up to now is 1094.1 secs Computing kpt #: 259 total cpu time spent up to now is 1098.3 secs Computing kpt #: 260 total cpu time spent up to now is 1102.6 secs Computing kpt #: 261 total cpu time spent up to now is 1108.2 secs Computing kpt #: 262 total cpu time spent up to now is 1113.9 secs Computing kpt #: 263 total cpu time spent up to now is 1118.1 secs Computing kpt #: 264 total cpu time spent up to now is 1123.4 secs Computing kpt #: 265 total cpu time spent up to now is 1129.8 secs Computing kpt #: 266 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1137.2 secs Computing kpt #: 267 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1144.6 secs Computing kpt #: 268 total cpu time spent up to now is 1150.8 secs Computing kpt #: 269 total cpu time spent up to now is 1157.1 secs Computing kpt #: 270 total cpu time spent up to now is 1161.4 secs ethr = 2.08E-11, avg # of iterations = 42.4 total cpu time spent up to now is 1161.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 9725 PWs) bands (ev): -70.0871 -70.0871 -70.0870 -70.0870 -37.0304 -37.0304 -37.0298 -37.0298 -36.7505 -36.7505 -36.7497 -36.7497 -36.7337 -36.7337 -36.7333 -36.7333 -7.7047 -7.7047 -5.1095 -5.1095 -5.0966 -5.0966 -5.0592 -5.0592 -4.0019 -4.0019 -0.8588 -0.8588 1.1752 1.1752 1.2008 1.2008 1.4132 1.4132 1.8228 1.8228 1.9269 1.9269 3.1615 3.1615 3.2215 3.2215 4.7645 4.7645 5.0410 5.0410 5.1383 5.1383 6.1685 6.1685 6.4118 6.4118 7.1255 7.1255 8.3888 8.3888 8.5286 8.5286 k = 0.0000 0.0000 0.0215 ( 9727 PWs) bands (ev): -70.0871 -70.0871 -70.0870 -70.0870 -37.0304 -37.0304 -37.0298 -37.0298 -36.7505 -36.7505 -36.7497 -36.7497 -36.7337 -36.7337 -36.7332 -36.7332 -7.7039 -7.7038 -5.1124 -5.1113 -5.0988 -5.0987 -5.0598 -5.0583 -3.9983 -3.9982 -0.8606 -0.8580 1.1713 1.1747 1.1929 1.2031 1.4160 1.4232 1.8229 1.8238 1.9246 1.9340 3.1577 3.1643 3.2194 3.2225 4.7545 4.7606 5.0311 5.0316 5.1309 5.1363 6.1833 6.1840 6.4154 6.4180 7.1273 7.1335 8.3815 8.3944 8.5255 8.5279 k = 0.0000 0.0000 0.0429 ( 9739 PWs) bands (ev): -70.0871 -70.0871 -70.0870 -70.0870 -37.0304 -37.0304 -37.0298 -37.0298 -36.7505 -36.7505 -36.7497 -36.7497 -36.7337 -36.7337 -36.7333 -36.7333 -7.7013 -7.7012 -5.1214 -5.1190 -5.1039 -5.1031 -5.0602 -5.0575 -3.9877 -3.9874 -0.8636 -0.8585 1.1634 1.1702 1.1816 1.1997 1.4316 1.4440 1.8236 1.8258 1.9274 1.9457 3.1517 3.1662 3.2176 3.2226 4.7286 4.7421 5.0032 5.0060 5.1171 5.1259 6.2260 6.2268 6.4284 6.4337 7.1392 7.1515 8.3735 8.3978 8.5202 8.5231 k = 0.0000 0.0000 0.0644 ( 9743 PWs) bands (ev): -70.0871 -70.0871 -70.0870 -70.0870 -37.0304 -37.0304 -37.0298 -37.0298 -36.7505 -36.7505 -36.7498 -36.7497 -36.7337 -36.7337 -36.7333 -36.7333 -7.6971 -7.6970 -5.1374 -5.1343 -5.1095 -5.1082 -5.0606 -5.0572 -3.9703 -3.9700 -0.8678 -0.8602 1.1531 1.1627 1.1684 1.1922 1.4574 1.4727 1.8242 1.8285 1.9354 1.9615 3.1424 3.1662 3.2181 3.2233 4.6828 4.7055 4.9633 4.9737 5.0997 5.1097 6.2899 6.2900 6.4497 6.4578 7.1615 7.1800 8.3659 8.3987 8.5138 8.5157 k = 0.0000 0.0000 0.0858 ( 9733 PWs) bands (ev): -70.0871 -70.0871 -70.0870 -70.0870 -37.0304 -37.0304 -37.0298 -37.0298 -36.7505 -36.7505 -36.7498 -36.7497 -36.7337 -36.7337 -36.7333 -36.7333 -7.6912 -7.6910 -5.1595 -5.1562 -5.1159 -5.1143 -5.0611 -5.0574 -3.9469 -3.9465 -0.8733 -0.8634 1.1428 1.1533 1.1540 1.1832 1.4905 1.5069 1.8238 1.8311 1.9488 1.9810 3.1297 3.1633 3.2220 3.2269 4.6154 4.6472 4.9220 4.9423 5.0796 5.0891 6.3656 6.3676 6.4778 6.4887 7.1948 7.2194 8.3597 8.3973 8.5073 8.5074 k = 0.0000 0.0000 0.1073 ( 9737 PWs) bands (ev): -70.0871 -70.0871 -70.0870 -70.0870 -37.0304 -37.0304 -37.0299 -37.0298 -36.7505 -36.7505 -36.7498 -36.7497 -36.7337 -36.7337 -36.7333 -36.7333 -7.6836 -7.6834 -5.1867 -5.1833 -5.1233 -5.1214 -5.0621 -5.0581 -3.9182 -3.9176 -0.8802 -0.8681 1.1338 1.1393 1.1426 1.1749 1.5284 1.5450 1.8214 1.8324 1.9674 2.0041 3.1152 3.1576 3.2293 3.2344 4.5292 4.5683 4.8847 4.9143 5.0570 5.0647 6.4474 6.4523 6.5107 6.5243 7.2397 7.2702 8.3561 8.3942 8.4998 8.5011 k = 0.0000 0.0000 0.1287 ( 9733 PWs) bands (ev): -70.0871 -70.0871 -70.0870 -70.0870 -37.0304 -37.0304 -37.0299 -37.0298 -36.7505 -36.7505 -36.7498 -36.7497 -36.7337 -36.7337 -36.7333 -36.7333 -7.6744 -7.6741 -5.2182 -5.2148 -5.1320 -5.1299 -5.0634 -5.0592 -3.8847 -3.8840 -0.8888 -0.8747 1.1205 1.1303 1.1317 1.1696 1.5695 1.5857 1.8158 1.8312 1.9911 2.0306 3.1010 3.1510 3.2391 3.2452 4.4298 4.4743 4.8499 4.8882 5.0329 5.0376 6.5304 6.5387 6.5470 6.5627 7.2966 7.3327 8.3558 8.3905 8.4936 8.4955 k = 0.0000 0.0000 0.1502 ( 9733 PWs) bands (ev): -70.0871 -70.0871 -70.0870 -70.0870 -37.0304 -37.0304 -37.0299 -37.0298 -36.7505 -36.7504 -36.7498 -36.7498 -36.7337 -36.7337 -36.7333 -36.7333 -7.6634 -7.6631 -5.2532 -5.2499 -5.1420 -5.1396 -5.0651 -5.0607 -3.8474 -3.8464 -0.8991 -0.8832 1.1040 1.1165 1.1315 1.1690 1.6121 1.6282 1.8067 1.8261 2.0199 2.0607 3.0893 3.1457 3.2505 3.2581 4.3230 4.3718 4.8143 4.8608 5.0084 5.0093 6.5835 6.6008 6.6119 6.6246 7.3655 7.4068 8.3595 8.3873 8.4889 8.4908 k = 0.0000 0.0000 0.1717 ( 9725 PWs) bands (ev): -70.0871 -70.0871 -70.0870 -70.0870 -37.0304 -37.0304 -37.0299 -37.0298 -36.7505 -36.7504 -36.7498 -36.7497 -36.7337 -36.7337 -36.7333 -36.7333 -7.6509 -7.6505 -5.2911 -5.2878 -5.1530 -5.1504 -5.0673 -5.0626 -3.8067 -3.8055 -0.9114 -0.8939 1.0874 1.1018 1.1366 1.1737 1.6538 1.6711 1.7946 1.8163 2.0536 2.0947 3.0822 3.1436 3.2621 3.2717 4.2135 4.2663 4.7748 4.8289 4.9816 4.9846 6.6208 6.6400 6.6867 6.7052 7.4458 7.4917 8.3673 8.3858 8.4858 8.4875 k = 0.0000 0.0000 0.1931 ( 9727 PWs) bands (ev): -70.0871 -70.0871 -70.0870 -70.0870 -37.0304 -37.0304 -37.0299 -37.0298 -36.7505 -36.7504 -36.7498 -36.7498 -36.7337 -36.7337 -36.7333 -36.7333 -7.6367 -7.6362 -5.3314 -5.3281 -5.1651 -5.1622 -5.0699 -5.0650 -3.7632 -3.7618 -0.9257 -0.9070 1.0714 1.0870 1.1471 1.1838 1.6880 1.7110 1.7853 1.8038 2.0920 2.1329 3.0808 3.1461 3.2722 3.2841 4.1055 4.1622 4.7298 4.7903 4.9563 4.9622 6.6575 6.6774 6.7551 6.7792 7.5359 7.5860 8.3785 8.3867 8.4844 8.4865 k = 0.0000 0.0000 0.2146 ( 9737 PWs) bands (ev): -70.0871 -70.0871 -70.0870 -70.0870 -37.0304 -37.0304 -37.0299 -37.0298 -36.7505 -36.7504 -36.7498 -36.7498 -36.7337 -36.7337 -36.7333 -36.7333 -7.6209 -7.6204 -5.3735 -5.3703 -5.1782 -5.1750 -5.0730 -5.0679 -3.7175 -3.7159 -0.9422 -0.9224 1.0565 1.0730 1.1629 1.1991 1.6961 1.7331 1.7967 1.8025 2.1352 2.1752 3.0861 3.1538 3.2785 3.2927 4.0034 4.0641 4.6787 4.7442 4.9340 4.9416 6.6930 6.7130 6.8153 6.8453 7.6338 7.6878 8.3901 8.3919 8.4851 8.4891 k = 0.0000 0.0000 0.2360 ( 9737 PWs) bands (ev): -70.0871 -70.0871 -70.0870 -70.0870 -37.0304 -37.0304 -37.0299 -37.0298 -36.7505 -36.7504 -36.7498 -36.7498 -36.7337 -36.7337 -36.7333 -36.7333 -7.6036 -7.6030 -5.4170 -5.4138 -5.1919 -5.1885 -5.0767 -5.0714 -3.6699 -3.6680 -0.9610 -0.9404 1.0432 1.0601 1.1840 1.2193 1.6741 1.7173 1.8324 1.8326 2.1829 2.2219 3.0982 3.1671 3.2775 3.2933 3.9128 3.9766 4.6217 4.6908 4.9142 4.9224 6.7273 6.7467 6.8670 6.9026 7.7367 7.7945 8.3955 8.4056 8.4890 8.4974 k = 0.0000 0.0000 0.2575 ( 9753 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0304 -37.0304 -37.0299 -37.0299 -36.7505 -36.7504 -36.7498 -36.7498 -36.7337 -36.7337 -36.7333 -36.7333 -7.5847 -7.5841 -5.4616 -5.4584 -5.2063 -5.2027 -5.0809 -5.0754 -3.6208 -3.6186 -0.9820 -0.9609 1.0319 1.0490 1.2098 1.2441 1.6376 1.6820 1.8753 1.8778 2.2350 2.2730 3.1169 3.1856 3.2650 3.2807 3.8400 3.9053 4.5596 4.6314 4.8964 4.9043 6.7603 6.7788 6.9100 6.9508 7.8409 7.9029 8.4026 8.4184 8.4971 8.5129 k = 0.0000 0.0000 0.2789 ( 9761 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0304 -37.0304 -37.0299 -37.0299 -36.7505 -36.7504 -36.7499 -36.7498 -36.7337 -36.7337 -36.7333 -36.7333 -7.5643 -7.5637 -5.5071 -5.5039 -5.2212 -5.2173 -5.0857 -5.0800 -3.5704 -3.5679 -1.0053 -0.9839 1.0227 1.0399 1.2399 1.2729 1.5936 1.6381 1.9212 1.9261 2.2914 2.3284 3.1414 3.2070 3.2372 3.2513 3.7913 3.8547 4.4930 4.5670 4.8796 4.8869 6.7921 6.8091 6.9448 6.9901 7.9421 8.0088 8.4116 8.4317 8.5104 8.5352 k = 0.0000 0.0000 0.3004 ( 9743 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0304 -37.0304 -37.0299 -37.0298 -36.7505 -36.7504 -36.7498 -36.7498 -36.7337 -36.7337 -36.7333 -36.7333 -7.5424 -7.5417 -5.5530 -5.5499 -5.2363 -5.2323 -5.0912 -5.0853 -3.5189 -3.5162 -1.0308 -1.0093 1.0160 1.0332 1.2732 1.3046 1.5446 1.5887 1.9680 1.9756 2.3520 2.3879 3.1699 3.1911 3.1939 3.2438 3.7687 3.8271 4.4228 4.4987 4.8633 4.8698 6.8226 6.8379 6.9721 7.0210 8.0342 8.1061 8.4251 8.4496 8.5288 8.5623 k = 0.0000 0.0000 0.3219 ( 9759 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0304 -37.0304 -37.0299 -37.0299 -36.7505 -36.7504 -36.7499 -36.7498 -36.7337 -36.7337 -36.7333 -36.7333 -7.5191 -7.5184 -5.5993 -5.5962 -5.2517 -5.2474 -5.0974 -5.0913 -3.4666 -3.4635 -1.0584 -1.0369 1.0120 1.0291 1.3085 1.3381 1.4925 1.5358 2.0150 2.0259 2.4166 2.4515 3.1262 3.1341 3.2053 3.2733 3.7683 3.8203 4.3497 4.4275 4.8472 4.8528 6.8517 6.8649 6.9926 7.0441 8.1106 8.1863 8.4486 8.4776 8.5520 8.5920 k = 0.0000 0.0000 0.3433 ( 9765 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0304 -37.0304 -37.0299 -37.0299 -36.7505 -36.7504 -36.7499 -36.7498 -36.7337 -36.7337 -36.7333 -36.7333 -7.4944 -7.4936 -5.6459 -5.6428 -5.2670 -5.2626 -5.1043 -5.0981 -3.4135 -3.4102 -1.0880 -1.0667 1.0109 1.0278 1.3435 1.3705 1.4398 1.4815 2.0619 2.0766 2.4851 2.5190 3.0509 3.0681 3.2415 3.3076 3.7842 3.8299 4.2748 4.3543 4.8311 4.8357 6.8792 6.8900 7.0070 7.0602 8.1660 8.2406 8.4880 8.5194 8.5793 8.6227 k = 0.0000 0.0000 0.3648 ( 9769 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0304 -37.0303 -37.0300 -37.0299 -36.7505 -36.7504 -36.7499 -36.7498 -36.7337 -36.7337 -36.7333 -36.7333 -7.4684 -7.4675 -5.6925 -5.6894 -5.2823 -5.2777 -5.1120 -5.1056 -3.3598 -3.3562 -1.1195 -1.0985 1.0129 1.0295 1.3708 1.3719 1.4157 1.4328 2.1088 2.1278 2.5572 2.5903 2.9732 2.9994 3.2798 3.3440 3.8109 3.8514 4.1987 4.2800 4.8148 4.8184 6.9049 6.9128 7.0161 7.0700 8.2005 8.2691 8.5396 8.5734 8.6117 8.6531 k = 0.0000 0.0000 0.3862 ( 9769 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0304 -37.0303 -37.0300 -37.0299 -36.7505 -36.7504 -36.7499 -36.7498 -36.7337 -36.7337 -36.7333 -36.7333 -7.4410 -7.4400 -5.7390 -5.7360 -5.2973 -5.2925 -5.1204 -5.1139 -3.3056 -3.3017 -1.1527 -1.1322 1.0180 1.0344 1.3203 1.3504 1.4282 1.4411 2.1559 2.1797 2.6325 2.6651 2.8984 2.9328 3.3190 3.3815 3.8447 3.8808 4.1226 4.2054 4.7984 4.8010 6.9283 6.9328 7.0205 7.0742 8.2193 8.2806 8.5893 8.6331 8.6521 8.6825 k = 0.0000 0.0000 0.4077 ( 9765 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0304 -37.0303 -37.0300 -37.0299 -36.7505 -36.7504 -36.7499 -36.7498 -36.7337 -36.7337 -36.7333 -36.7333 -7.4123 -7.4113 -5.7855 -5.7824 -5.3119 -5.3070 -5.1297 -5.1229 -3.2509 -3.2467 -1.1875 -1.1675 1.0264 1.0424 1.2648 1.2978 1.4507 1.4653 2.2038 2.2327 2.7096 2.7431 2.8311 2.8719 3.3583 3.4192 3.8833 3.9154 4.0479 4.1315 4.7818 4.7834 6.9488 6.9492 7.0209 7.0734 8.2284 8.2831 8.6272 8.6901 8.7012 8.7120 k = 0.0000 0.0000 0.4291 ( 9761 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0304 -37.0303 -37.0300 -37.0299 -36.7505 -36.7504 -36.7499 -36.7498 -36.7337 -36.7337 -36.7333 -36.7333 -7.3824 -7.3814 -5.8317 -5.8287 -5.3260 -5.3210 -5.1396 -5.1328 -3.1959 -3.1914 -1.2239 -1.2044 1.0381 1.0536 1.2099 1.2425 1.4691 1.4821 2.2531 2.2873 2.7540 2.8080 2.8118 2.8314 3.3968 3.4563 3.9250 3.9462 3.9828 4.0594 4.7653 4.7658 6.9611 6.9657 7.0179 7.0680 8.2321 8.2810 8.6555 8.7262 8.7519 8.7553 k = 0.0000 0.0000 0.4506 ( 9765 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0304 -37.0303 -37.0300 -37.0299 -36.7504 -36.7504 -36.7499 -36.7499 -36.7337 -36.7337 -36.7333 -36.7333 -7.3514 -7.3503 -5.8778 -5.8747 -5.3395 -5.3343 -5.1504 -5.1434 -3.1404 -3.1356 -1.2616 -1.2428 1.0531 1.0676 1.1569 1.1880 1.4781 1.4890 2.3048 2.3438 2.7115 2.7734 2.8846 2.9100 3.4334 3.4921 3.8992 3.9681 3.9909 4.0015 4.7483 4.7488 6.9669 6.9783 7.0124 7.0584 8.2326 8.2764 8.6774 8.7466 8.7990 8.8050 k = 0.0000 0.0000 0.4721 ( 9775 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0304 -37.0303 -37.0300 -37.0299 -36.7505 -36.7504 -36.7500 -36.7499 -36.7337 -36.7337 -36.7333 -36.7333 -7.3193 -7.3181 -5.9235 -5.9205 -5.3522 -5.3469 -5.1619 -5.1548 -3.0846 -3.0796 -1.3006 -1.2824 1.0708 1.0799 1.1110 1.1360 1.4756 1.4844 2.3597 2.4024 2.6719 2.7388 2.9714 2.9965 3.4673 3.5259 3.8357 3.9252 4.0140 4.0435 4.7310 4.7326 6.9650 6.9856 7.0053 7.0448 8.2316 8.2703 8.6934 8.7606 8.8411 8.8506 k = 0.0000 0.0000 0.4935 ( 9771 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0304 -37.0303 -37.0300 -37.0299 -36.7504 -36.7504 -36.7500 -36.7499 -36.7337 -36.7336 -36.7333 -36.7333 -7.2861 -7.2848 -5.9690 -5.9660 -5.3640 -5.3586 -5.1740 -5.1669 -3.0285 -3.0232 -1.3409 -1.3233 1.0502 1.0764 1.1019 1.1131 1.4612 1.4679 2.4184 2.4627 2.6418 2.7116 3.0611 3.0852 3.4972 3.5571 3.7789 3.8664 4.0592 4.0874 4.7142 4.7169 6.9547 6.9862 6.9964 7.0277 8.2297 8.2635 8.7033 8.7683 8.8784 8.8916 k = 0.0000 0.0000 0.5150 ( 9771 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0304 -37.0303 -37.0300 -37.0299 -36.7504 -36.7503 -36.7500 -36.7499 -36.7336 -36.7336 -36.7333 -36.7333 -7.2519 -7.2506 -6.0141 -6.0112 -5.3750 -5.3694 -5.1868 -5.1796 -2.9721 -2.9666 -1.3822 -1.3654 1.0051 1.0340 1.1222 1.1366 1.4355 1.4403 2.4807 2.5209 2.6230 2.6894 3.1529 3.1754 3.5219 3.5850 3.7324 3.8153 4.1045 4.1317 4.6980 4.7019 6.9368 6.9784 6.9838 7.0076 8.2273 8.2563 8.7067 8.7692 8.9113 8.9285 k = 0.0000 0.0000 0.5364 ( 9775 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0304 -37.0303 -37.0300 -37.0299 -36.7504 -36.7503 -36.7500 -36.7499 -36.7336 -36.7336 -36.7334 -36.7334 -7.2168 -7.2154 -6.0589 -6.0561 -5.3848 -5.3792 -5.2002 -5.1929 -2.9155 -2.9097 -1.4247 -1.4085 0.9620 0.9900 1.1507 1.1648 1.4003 1.4032 2.5457 2.5564 2.6329 2.6694 3.2459 3.2663 3.5400 3.6094 3.7000 3.7738 4.1492 4.1758 4.6827 4.6878 6.9127 6.9604 6.9653 6.9856 8.2248 8.2491 8.7034 8.7632 8.9407 8.9619 k = 0.0000 0.0000 0.5579 ( 9767 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0304 -37.0303 -37.0300 -37.0300 -36.7504 -36.7503 -36.7500 -36.7499 -36.7336 -36.7336 -36.7334 -36.7334 -7.1808 -7.1794 -6.1035 -6.1006 -5.3936 -5.3878 -5.2140 -5.2068 -2.8586 -2.8526 -1.4682 -1.4527 0.9221 0.9490 1.1829 1.1966 1.3578 1.3588 2.5509 2.6072 2.6532 2.6856 3.3395 3.3564 3.5519 3.6298 3.6838 3.7438 4.1929 4.2191 4.6685 4.6748 6.8831 6.9328 6.9394 6.9601 8.2225 8.2423 8.6937 8.7501 8.9667 8.9918 k = 0.0000 0.0000 0.5793 ( 9781 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0304 -37.0303 -37.0301 -37.0300 -36.7504 -36.7503 -36.7500 -36.7499 -36.7336 -36.7336 -36.7334 -36.7334 -7.1440 -7.1425 -6.1477 -6.1449 -5.4011 -5.3953 -5.2282 -5.2210 -2.8015 -2.7953 -1.5127 -1.4978 0.8857 0.9116 1.2180 1.2316 1.3095 1.3108 2.5304 2.6099 2.6919 2.7512 3.4324 3.4416 3.5643 3.6462 3.6819 3.7272 4.2354 4.2614 4.6557 4.6630 6.8482 6.8979 6.9055 6.9284 8.2205 8.2364 8.6781 8.7306 8.9895 9.0156 k = 0.0000 0.0000 0.6008 ( 9773 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0303 -37.0302 -37.0301 -37.0300 -36.7504 -36.7503 -36.7500 -36.7499 -36.7336 -36.7336 -36.7334 -36.7334 -7.1065 -7.1050 -6.1917 -6.1889 -5.4074 -5.4015 -5.2428 -5.2355 -2.7443 -2.7378 -1.5582 -1.5439 0.8532 0.8781 1.2456 1.2537 1.2716 1.2733 2.5023 2.5772 2.7591 2.8187 3.5072 3.5220 3.5962 3.6598 3.6898 3.7258 4.2762 4.3023 4.6443 4.6526 6.8083 6.8573 6.8636 6.8891 8.2194 8.2320 8.6575 8.7054 9.0086 9.0273 k = 0.0000 0.0000 0.6223 ( 9765 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0303 -37.0302 -37.0301 -37.0300 -36.7504 -36.7503 -36.7501 -36.7500 -36.7336 -36.7336 -36.7334 -36.7334 -7.0683 -7.0667 -6.2354 -6.2326 -5.4124 -5.4064 -5.2575 -5.2502 -2.6869 -2.6802 -1.6046 -1.5910 0.8247 0.8487 1.2018 1.2038 1.3038 1.3130 2.4673 2.5349 2.8271 2.8854 3.5386 3.5974 3.6630 3.6796 3.7055 3.7401 4.3150 4.3414 4.6344 4.6434 6.7636 6.8115 6.8143 6.8425 8.2195 8.2295 8.6329 8.6756 9.0237 9.0350 k = 0.0000 0.0000 0.6437 ( 9761 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0303 -37.0302 -37.0301 -37.0300 -36.7504 -36.7503 -36.7501 -36.7500 -36.7336 -36.7336 -36.7334 -36.7334 -7.0295 -7.0278 -6.2788 -6.2761 -5.4160 -5.4099 -5.2723 -5.2650 -2.6294 -2.6225 -1.6520 -1.6390 0.8005 0.8235 1.1480 1.1521 1.3488 1.3577 2.4253 2.4847 2.8935 2.9499 3.5536 3.6284 3.7250 3.7348 3.7480 3.7696 4.3517 4.3786 4.6260 4.6353 6.7146 6.7590 6.7611 6.7898 8.2213 8.2295 8.6053 8.6426 9.0339 9.0426 k = 0.0000 0.0000 0.6652 ( 9749 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0303 -37.0302 -37.0301 -37.0300 -36.7503 -36.7502 -36.7501 -36.7500 -36.7335 -36.7335 -36.7334 -36.7334 -6.9901 -6.9884 -6.3221 -6.3194 -5.4183 -5.4121 -5.2870 -5.2797 -2.5719 -2.5648 -1.7004 -1.6879 0.7806 0.8028 1.0952 1.1011 1.3975 1.4055 2.3769 2.4281 2.9575 3.0117 3.5601 3.6282 3.7602 3.8022 3.8211 3.8277 4.3860 4.4135 4.6191 4.6282 6.6618 6.6995 6.7066 6.7330 8.2252 8.2323 8.5758 8.6075 9.0394 9.0482 k = 0.0000 0.0000 0.6866 ( 9753 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0303 -37.0302 -37.0301 -37.0300 -36.7503 -36.7502 -36.7501 -36.7500 -36.7335 -36.7335 -36.7334 -36.7334 -6.9503 -6.9485 -6.3651 -6.3625 -5.4192 -5.4129 -5.3015 -5.2942 -2.5144 -2.5071 -1.7496 -1.7377 0.7653 0.7866 1.0445 1.0518 1.4493 1.4562 2.3230 2.3663 3.0187 3.0706 3.5580 3.6176 3.8043 3.8549 3.8970 3.9045 4.4178 4.4461 4.6137 4.6218 6.6062 6.6382 6.6490 6.6746 8.2315 8.2380 8.5453 8.5714 9.0420 9.0518 k = 0.0000 0.0000 0.7081 ( 9727 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0303 -37.0302 -37.0301 -37.0300 -36.7503 -36.7502 -36.7501 -36.7500 -36.7335 -36.7335 -36.7334 -36.7334 -6.9100 -6.9082 -6.4079 -6.4054 -5.4186 -5.4123 -5.3156 -5.3085 -2.4570 -2.4494 -1.7998 -1.7883 0.7546 0.7750 0.9966 1.0053 1.5041 1.5096 2.2647 2.3008 3.0772 3.1266 3.5479 3.6006 3.8561 3.9108 3.9707 3.9745 4.4469 4.4761 4.6094 4.6156 6.5494 6.5779 6.5905 6.6168 8.2405 8.2467 8.5146 8.5355 9.0436 9.0539 k = 0.0000 0.0000 0.7295 ( 9723 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0301 -37.0301 -37.0300 -36.7503 -36.7502 -36.7501 -36.7500 -36.7335 -36.7335 -36.7334 -36.7334 -6.8694 -6.8674 -6.4506 -6.4481 -5.4167 -5.4102 -5.3294 -5.3222 -2.3997 -2.3919 -1.8509 -1.8399 0.7486 0.7682 0.9520 0.9619 1.5615 1.5655 2.2030 2.2326 3.1328 3.1799 3.5308 3.5787 3.9120 3.9689 4.0350 4.0367 4.4733 4.5033 4.6062 4.6093 6.4940 6.5206 6.5340 6.5613 8.2521 8.2581 8.4844 8.5002 9.0446 9.0549 k = 0.0000 0.0000 0.7510 ( 9727 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0301 -37.0301 -37.0300 -36.7503 -36.7502 -36.7501 -36.7500 -36.7335 -36.7335 -36.7334 -36.7334 -6.8284 -6.8264 -6.4932 -6.4907 -5.4133 -5.4068 -5.3425 -5.3354 -2.3426 -2.3346 -1.9027 -1.8922 0.7474 0.7661 0.9111 0.9223 1.6214 1.6237 2.1390 2.1629 3.1858 3.2308 3.5078 3.5523 3.9682 4.0260 4.0836 4.0926 4.4967 4.5275 4.6025 4.6038 6.4434 6.4684 6.4832 6.5100 8.2664 8.2722 8.4549 8.4663 9.0456 9.0550 k = 0.0000 0.0000 0.7725 ( 9726 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0301 -37.0301 -37.0300 -36.7502 -36.7502 -36.7501 -36.7500 -36.7335 -36.7335 -36.7334 -36.7334 -6.7872 -6.7851 -6.5356 -6.5332 -5.4086 -5.4020 -5.3549 -5.3479 -2.2858 -2.2776 -1.9555 -1.9453 0.7510 0.7689 0.8744 0.8867 1.6837 1.6840 2.0735 2.0924 3.2362 3.2794 3.4797 3.5220 4.0212 4.0786 4.1185 4.1360 4.5174 4.5484 4.5948 4.6017 6.4011 6.4230 6.4412 6.4650 8.2834 8.2887 8.4266 8.4340 9.0468 9.0545 k = 0.0000 0.0000 0.7939 ( 9734 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0301 -37.0301 -36.7502 -36.7502 -36.7501 -36.7501 -36.7335 -36.7335 -36.7334 -36.7334 -6.7457 -6.7435 -6.5779 -6.5755 -5.4026 -5.3959 -5.3665 -5.3596 -2.2294 -2.2209 -2.0089 -1.9992 0.7595 0.7766 0.8421 0.8554 1.7462 1.7482 2.0072 2.0218 3.2841 3.3258 3.4474 3.4883 4.0678 4.1230 4.1380 4.1650 4.5353 4.5657 4.5860 4.5992 6.3702 6.3867 6.4108 6.4288 8.3028 8.3073 8.3997 8.4036 9.0480 9.0536 k = 0.0000 0.0000 0.8154 ( 9724 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0301 -37.0301 -36.7502 -36.7502 -36.7501 -36.7501 -36.7335 -36.7335 -36.7334 -36.7334 -6.7040 -6.7018 -6.6201 -6.6178 -5.3953 -5.3885 -5.3772 -5.3703 -2.1734 -2.1647 -2.0631 -2.0537 0.7730 0.7891 0.8143 0.8286 1.8100 1.8145 1.9409 1.9516 3.3293 3.3701 3.4113 3.4516 4.1050 4.1418 4.1561 4.1782 4.5508 4.5759 4.5792 4.5953 6.3529 6.3618 6.3940 6.4037 8.3247 8.3278 8.3742 8.3751 9.0494 9.0523 k = 0.0000 0.0000 0.8368 ( 9724 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0301 -37.0301 -36.7502 -36.7502 -36.7501 -36.7501 -36.7334 -36.7334 -36.7334 -36.7334 -6.6621 -6.6621 -6.6598 -6.6598 -5.3868 -5.3868 -5.3800 -5.3800 -2.1180 -2.1180 -2.1089 -2.1089 0.7912 0.7912 0.8065 0.8065 1.8750 1.8750 1.8824 1.8824 3.3718 3.3718 3.4121 3.4121 4.1304 4.1304 4.1750 4.1750 4.5642 4.5642 4.5889 4.5889 6.3501 6.3501 6.3917 6.3917 8.3488 8.3488 8.3502 8.3502 9.0509 9.0509 k = 0.0000 0.0000 0.8368 ( 9724 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0301 -37.0301 -36.7502 -36.7502 -36.7501 -36.7501 -36.7334 -36.7334 -36.7334 -36.7334 -6.6621 -6.6621 -6.6598 -6.6598 -5.3868 -5.3868 -5.3800 -5.3800 -2.1180 -2.1180 -2.1089 -2.1089 0.7912 0.7912 0.8065 0.8065 1.8750 1.8750 1.8824 1.8824 3.3718 3.3718 3.4121 3.4121 4.1304 4.1304 4.1750 4.1750 4.5642 4.5642 4.5889 4.5889 6.3501 6.3501 6.3917 6.3917 8.3488 8.3488 8.3502 8.3502 9.0509 9.0509 k =-0.0126 0.0169 0.8368 ( 9728 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0301 -37.0301 -36.7502 -36.7502 -36.7501 -36.7501 -36.7335 -36.7335 -36.7334 -36.7334 -6.6623 -6.6623 -6.6600 -6.6600 -5.3869 -5.3869 -5.3801 -5.3801 -2.1168 -2.1168 -2.1077 -2.1077 0.7920 0.7920 0.8072 0.8072 1.8753 1.8753 1.8830 1.8830 3.3683 3.3683 3.4086 3.4086 4.1289 4.1289 4.1744 4.1744 4.5616 4.5616 4.5872 4.5872 6.3539 6.3539 6.3955 6.3955 8.3532 8.3532 8.3560 8.3560 9.0500 9.0500 k =-0.0252 0.0339 0.8368 ( 9740 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0301 -37.0301 -36.7502 -36.7502 -36.7501 -36.7501 -36.7335 -36.7335 -36.7335 -36.7335 -6.6628 -6.6628 -6.6605 -6.6605 -5.3874 -5.3874 -5.3805 -5.3805 -2.1131 -2.1131 -2.1040 -2.1040 0.7944 0.7944 0.8094 0.8094 1.8763 1.8763 1.8847 1.8847 3.3578 3.3578 3.3981 3.3981 4.1246 4.1246 4.1723 4.1723 4.5539 4.5539 4.5822 4.5822 6.3651 6.3651 6.4068 6.4068 8.3670 8.3670 8.3724 8.3724 9.0472 9.0472 k =-0.0379 0.0508 0.8368 ( 9746 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0301 -37.0301 -36.7502 -36.7502 -36.7501 -36.7501 -36.7335 -36.7335 -36.7335 -36.7335 -6.6636 -6.6636 -6.6613 -6.6613 -5.3880 -5.3880 -5.3811 -5.3811 -2.1071 -2.1071 -2.0979 -2.0979 0.7983 0.7983 0.8131 0.8131 1.8778 1.8778 1.8875 1.8875 3.3407 3.3407 3.3810 3.3810 4.1175 4.1175 4.1688 4.1688 4.5413 4.5413 4.5737 4.5737 6.3837 6.3837 6.4254 6.4254 8.3893 8.3893 8.3982 8.3982 9.0422 9.0422 k =-0.0505 0.0677 0.8368 ( 9740 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0301 -37.0301 -36.7502 -36.7502 -36.7501 -36.7501 -36.7335 -36.7335 -36.7335 -36.7335 -6.6648 -6.6648 -6.6624 -6.6624 -5.3888 -5.3888 -5.3819 -5.3819 -2.0989 -2.0989 -2.0895 -2.0895 0.8038 0.8038 0.8183 0.8183 1.8801 1.8801 1.8912 1.8912 3.3175 3.3175 3.3579 3.3579 4.1079 4.1079 4.1638 4.1638 4.5244 4.5244 4.5618 4.5618 6.4091 6.4091 6.4509 6.4509 8.4185 8.4185 8.4319 8.4319 9.0346 9.0346 k =-0.0631 0.0847 0.8368 ( 9748 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0301 -37.0301 -36.7502 -36.7502 -36.7501 -36.7501 -36.7335 -36.7335 -36.7335 -36.7335 -6.6664 -6.6664 -6.6639 -6.6639 -5.3898 -5.3898 -5.3827 -5.3827 -2.0886 -2.0886 -2.0790 -2.0790 0.8109 0.8109 0.8251 0.8251 1.8831 1.8831 1.8959 1.8959 3.2890 3.2890 3.3294 3.3294 4.0958 4.0958 4.1571 4.1571 4.5035 4.5035 4.5467 4.5467 6.4410 6.4410 6.4829 6.4829 8.4515 8.4515 8.4710 8.4710 9.0242 9.0242 k =-0.0757 0.1016 0.8368 ( 9740 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0301 -37.0301 -36.7502 -36.7502 -36.7501 -36.7501 -36.7335 -36.7335 -36.7335 -36.7335 -6.6683 -6.6683 -6.6658 -6.6658 -5.3907 -5.3907 -5.3836 -5.3836 -2.0764 -2.0764 -2.0666 -2.0666 0.8196 0.8196 0.8334 0.8334 1.8867 1.8867 1.9014 1.9014 3.2559 3.2559 3.2965 3.2965 4.0814 4.0814 4.1488 4.1488 4.4793 4.4793 4.5286 4.5286 6.4786 6.4786 6.5206 6.5206 8.4841 8.4841 8.5120 8.5120 9.0119 9.0119 k =-0.0883 0.1185 0.8368 ( 9740 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0301 -37.0301 -36.7502 -36.7502 -36.7501 -36.7501 -36.7335 -36.7335 -36.7335 -36.7335 -6.6707 -6.6707 -6.6681 -6.6681 -5.3915 -5.3915 -5.3843 -5.3843 -2.0627 -2.0627 -2.0526 -2.0526 0.8299 0.8299 0.8434 0.8434 1.8910 1.8910 1.9078 1.9078 3.2191 3.2191 3.2600 3.2600 4.0648 4.0648 4.1386 4.1386 4.4523 4.4523 4.5080 4.5080 6.5212 6.5212 6.5633 6.5633 8.5107 8.5107 8.5495 8.5495 8.9988 8.9988 k =-0.1009 0.1355 0.8368 ( 9752 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0301 -37.0301 -36.7502 -36.7502 -36.7501 -36.7501 -36.7335 -36.7335 -36.7335 -36.7335 -6.6735 -6.6735 -6.6709 -6.6709 -5.3921 -5.3921 -5.3848 -5.3848 -2.0476 -2.0476 -2.0373 -2.0373 0.8418 0.8418 0.8551 0.8551 1.8959 1.8959 1.9148 1.9148 3.1796 3.1796 3.2207 3.2207 4.0460 4.0460 4.1265 4.1265 4.4233 4.4233 4.4854 4.4854 6.5678 6.5678 6.6100 6.6100 8.5245 8.5245 8.5756 8.5756 8.9869 8.9869 k =-0.1136 0.1524 0.8368 ( 9762 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0301 -37.0301 -36.7502 -36.7502 -36.7501 -36.7501 -36.7335 -36.7335 -36.7335 -36.7335 -6.6768 -6.6768 -6.6741 -6.6741 -5.3923 -5.3923 -5.3849 -5.3849 -2.0315 -2.0315 -2.0209 -2.0209 0.8553 0.8553 0.8686 0.8686 1.9013 1.9013 1.9225 1.9225 3.1382 3.1382 3.1797 3.1797 4.0252 4.0252 4.1122 4.1122 4.3930 4.3930 4.4614 4.4614 6.6174 6.6174 6.6598 6.6598 8.5198 8.5198 8.5818 8.5818 8.9810 8.9810 k =-0.1262 0.1693 0.8368 ( 9754 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0301 -37.0301 -36.7502 -36.7502 -36.7501 -36.7501 -36.7335 -36.7335 -36.7335 -36.7335 -6.6806 -6.6806 -6.6778 -6.6778 -5.3920 -5.3920 -5.3845 -5.3845 -2.0148 -2.0148 -2.0039 -2.0039 0.8704 0.8704 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0.9342 0.9490 1.8466 1.8684 2.0034 2.0317 2.9534 2.9897 3.0387 3.0721 3.8870 3.9137 4.0523 4.0725 4.2434 4.2643 4.4046 4.4250 6.7864 6.8094 6.8404 6.8540 8.3098 8.3620 8.4535 8.5032 8.9829 9.0246 k =-0.1659 0.2226 0.7915 ( 9759 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0301 -37.0301 -36.7502 -36.7502 -36.7501 -36.7501 -36.7335 -36.7335 -36.7334 -36.7334 -6.7632 -6.7611 -6.6275 -6.6250 -5.4165 -5.4105 -5.3511 -5.3440 -2.0837 -2.0718 -1.8407 -1.8291 0.9172 0.9330 0.9591 0.9753 1.8153 1.8375 2.0429 2.0743 2.9068 2.9434 3.0247 3.0577 3.8277 3.8567 4.0494 4.0654 4.1958 4.2150 4.4193 4.4413 6.8163 6.8500 6.8868 6.9061 8.2293 8.2805 8.4486 8.4979 8.9632 9.0110 k =-0.1749 0.2348 0.7764 ( 9752 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0301 -37.0301 -36.7502 -36.7502 -36.7501 -36.7501 -36.7335 -36.7335 -36.7334 -36.7334 -6.7871 -6.7852 -6.6116 -6.6091 -5.4246 -5.4189 -5.3350 -5.3277 -2.1130 -2.1007 -1.7892 -1.7776 0.9352 0.9523 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1.2907 1.3132 1.6305 1.6674 2.1109 2.1247 2.5871 2.6651 2.7289 2.7673 3.2638 3.3339 3.5980 3.6546 4.1238 4.1336 4.5919 4.6242 6.7101 6.7520 7.4797 7.4930 7.5783 7.5935 8.3700 8.4106 8.9084 8.9417 k =-0.2743 0.3681 0.6101 ( 9777 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0303 -37.0302 -37.0301 -37.0300 -36.7503 -36.7502 -36.7501 -36.7500 -36.7336 -36.7336 -36.7334 -36.7334 -6.9620 -6.9611 -6.5249 -6.5220 -5.4890 -5.4859 -5.1360 -5.1260 -2.3916 -2.3748 -1.3403 -1.3329 1.2612 1.2784 1.3195 1.3527 1.6280 1.6647 2.0972 2.1165 2.5460 2.6173 2.7075 2.7496 3.2488 3.3217 3.5816 3.6423 4.1212 4.1305 4.6020 4.6353 6.6772 6.7180 7.5039 7.5258 7.5553 7.5743 8.3509 8.3901 8.9513 8.9844 k =-0.2833 0.3802 0.5950 ( 9775 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0303 -37.0302 -37.0301 -37.0300 -36.7503 -36.7502 -36.7501 -36.7500 -36.7336 -36.7336 -36.7334 -36.7334 -6.9690 -6.9683 -6.5227 -6.5198 -5.4917 -5.4888 -5.1242 -5.1139 -2.4061 -2.3890 -1.3184 -1.3119 1.2768 1.2961 1.3493 1.3895 1.6261 1.6612 2.0880 2.1122 2.5054 2.5684 2.6888 2.7337 3.2391 3.3136 3.5702 3.6346 4.1184 4.1274 4.6106 4.6448 6.6479 6.6878 7.5054 7.5260 7.5637 7.5778 8.3342 8.3725 8.9924 9.0256 k =-0.2923 0.3923 0.5799 ( 9775 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0303 -37.0302 -37.0301 -37.0300 -36.7503 -36.7502 -36.7501 -36.7500 -36.7336 -36.7336 -36.7334 -36.7334 -6.9745 -6.9738 -6.5210 -6.5181 -5.4939 -5.4911 -5.1146 -5.1043 -2.4176 -2.4003 -1.3010 -1.2954 1.2890 1.3083 1.3774 1.4220 1.6243 1.6562 2.0840 2.1115 2.4689 2.5222 2.6732 2.7200 3.2330 3.3085 3.5628 3.6302 4.1159 4.1245 4.6175 4.6524 6.6234 6.6628 7.4944 7.5101 7.5857 7.5940 8.3207 8.3584 9.0287 9.0624 k =-0.3013 0.4044 0.5648 ( 9755 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0303 -37.0302 -37.0301 -37.0300 -36.7503 -36.7502 -36.7501 -36.7500 -36.7336 -36.7336 -36.7334 -36.7334 -6.9784 -6.9778 -6.5198 -6.5169 -5.4954 -5.4928 -5.1077 -5.0972 -2.4260 -2.4085 -1.2883 -1.2834 1.2977 1.3162 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1.6019 1.6610 1.6874 1.7376 1.8507 1.8908 2.3075 2.3077 2.5641 2.5755 3.3190 3.3474 3.8654 3.8914 4.0600 4.0975 4.5870 4.5994 6.8027 6.8394 7.7303 7.7898 7.9439 7.9662 8.5460 8.5946 9.3780 9.3877 k =-0.2099 0.2817 0.3513 ( 9793 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0304 -37.0303 -37.0300 -37.0299 -36.7505 -36.7504 -36.7500 -36.7499 -36.7337 -36.7337 -36.7333 -36.7333 -7.3020 -7.3011 -6.0233 -6.0191 -5.4281 -5.4230 -5.0686 -5.0561 -3.0234 -3.0122 -1.0048 -0.9884 0.9621 0.9679 1.6227 1.6650 1.6808 1.7188 1.8487 1.8888 2.2860 2.2877 2.6216 2.6293 3.3053 3.3327 3.9212 3.9518 4.0190 4.0594 4.5756 4.5889 6.8315 6.8657 7.7450 7.8083 7.9837 8.0055 8.4294 8.4734 9.3870 9.4021 k =-0.2008 0.2694 0.3360 ( 9785 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0304 -37.0303 -37.0300 -37.0299 -36.7505 -36.7504 -36.7499 -36.7499 -36.7337 -36.7337 -36.7333 -36.7333 -7.3316 -7.3307 -5.9754 -5.9711 -5.4107 -5.4055 -5.0669 -5.0544 -3.0778 -3.0673 -0.9962 -0.9789 0.9455 0.9516 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1.5033 1.5636 1.7048 1.7697 1.8505 1.8811 2.1959 2.2216 3.0121 3.0183 3.2033 3.2113 3.7853 3.8378 4.2126 4.2679 4.5763 4.6118 6.9963 7.0185 7.7519 7.8214 7.8478 7.8830 8.0945 8.1062 9.0131 9.0222 k =-0.1551 0.2082 0.2596 ( 9767 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0304 -37.0303 -37.0300 -37.0299 -36.7505 -36.7504 -36.7499 -36.7498 -36.7337 -36.7337 -36.7333 -36.7333 -7.4706 -7.4698 -5.7282 -5.7238 -5.3154 -5.3096 -5.0606 -5.0490 -3.3515 -3.3446 -0.9622 -0.9414 0.9032 0.9106 1.4717 1.5327 1.7062 1.7728 1.8522 1.8793 2.1849 2.2173 3.0816 3.1041 3.1722 3.2046 3.7457 3.7996 4.2708 4.3321 4.5905 4.6335 7.0236 7.0439 7.6532 7.6962 7.8204 7.8817 8.0925 8.1018 8.9240 8.9398 k =-0.1460 0.1960 0.2444 ( 9763 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0304 -37.0303 -37.0299 -37.0299 -36.7505 -36.7504 -36.7499 -36.7498 -36.7337 -36.7337 -36.7333 -36.7333 -7.4957 -7.4950 -5.6780 -5.6737 -5.2960 -5.2901 -5.0599 -5.0485 -3.4057 -3.3995 -0.9559 -0.9347 0.9033 0.9108 1.4408 1.5021 1.7033 1.7709 1.8535 1.8770 2.1755 2.2145 3.1114 3.1357 3.1916 3.2335 3.7168 3.7708 4.3282 4.3958 4.6091 4.6603 7.0435 7.0622 7.5394 7.5738 7.8018 7.8701 8.0863 8.0928 8.8453 8.8675 k =-0.1369 0.1837 0.2291 ( 9771 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0304 -37.0304 -37.0299 -37.0299 -36.7505 -36.7504 -36.7499 -36.7498 -36.7337 -36.7337 -36.7333 -36.7333 -7.5198 -7.5191 -5.6279 -5.6236 -5.2768 -5.2709 -5.0593 -5.0482 -3.4594 -3.4538 -0.9494 -0.9280 0.9063 0.9139 1.4108 1.4721 1.6964 1.7644 1.8543 1.8744 2.1663 2.2118 3.1076 3.1087 3.2609 3.2851 3.7069 3.7580 4.3845 4.4588 4.6318 4.6915 7.0524 7.0699 7.4266 7.4555 7.7755 7.8465 8.0788 8.0829 8.7783 8.8063 k =-0.1278 0.1715 0.2138 ( 9775 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0304 -37.0304 -37.0299 -37.0299 -36.7505 -36.7504 -36.7499 -36.7498 -36.7337 -36.7337 -36.7333 -36.7333 -7.5426 -7.5419 -5.5781 -5.5738 -5.2580 -5.2521 -5.0589 -5.0480 -3.5124 -3.5075 -0.9426 -0.9212 0.9123 0.9198 1.3819 1.4429 1.6860 1.7535 1.8545 1.8716 2.1557 2.2074 3.0847 3.0973 3.3118 3.3232 3.7264 3.7699 4.4394 4.5202 4.6582 4.7266 7.0466 7.0635 7.3185 7.3425 7.7389 7.8102 8.0740 8.0762 8.7232 8.7562 k =-0.1186 0.1592 0.1986 ( 9767 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0304 -37.0304 -37.0299 -37.0299 -36.7505 -36.7504 -36.7499 -36.7498 -36.7337 -36.7337 -36.7333 -36.7333 -7.5641 -7.5635 -5.5286 -5.5245 -5.2399 -5.2339 -5.0586 -5.0480 -3.5646 -3.5603 -0.9357 -0.9144 0.9211 0.9286 1.3544 1.4146 1.6726 1.7388 1.8541 1.8687 2.1426 2.1995 3.0664 3.0890 3.3362 3.3373 3.7795 3.8122 4.4928 4.5791 4.6885 4.7646 7.0224 7.0398 7.2172 7.2356 7.6922 7.7620 8.0759 8.0764 8.6789 8.7160 k =-0.1095 0.1470 0.1833 ( 9749 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0304 -37.0304 -37.0299 -37.0299 -36.7505 -36.7504 -36.7498 -36.7498 -36.7337 -36.7337 -36.7333 -36.7333 -7.5843 -7.5837 -5.4799 -5.4759 -5.2224 -5.2164 -5.0584 -5.0482 -3.6158 -3.6120 -0.9285 -0.9076 0.9329 0.9402 1.3285 1.3874 1.6568 1.7208 1.8531 1.8656 2.1262 2.1872 3.0550 3.0853 3.3295 3.3407 3.8587 3.8816 4.5444 4.6342 4.7229 4.8047 6.9782 6.9975 7.1236 7.1358 7.6374 7.7042 8.0861 8.0868 8.6431 8.6837 k =-0.1004 0.1347 0.1680 ( 9749 PWs) bands (ev): -70.0871 -70.0871 -70.0870 -70.0870 -37.0304 -37.0304 -37.0299 -37.0299 -36.7505 -36.7504 -36.7498 -36.7498 -36.7337 -36.7337 -36.7333 -36.7333 -7.6031 -7.6025 -5.4322 -5.4282 -5.2057 -5.1997 -5.0583 -5.0485 -3.6657 -3.6624 -0.9211 -0.9008 0.9475 0.9544 1.3043 1.3615 1.6388 1.7002 1.8516 1.8623 2.1063 2.1698 3.0506 3.0865 3.3125 3.3304 3.9536 3.9691 4.5942 4.6837 4.7623 4.8460 6.9169 6.9379 7.0359 7.0423 7.5769 7.6398 8.1060 8.1074 8.6134 8.6571 k =-0.0913 0.1225 0.1527 ( 9749 PWs) bands (ev): -70.0871 -70.0871 -70.0870 -70.0870 -37.0304 -37.0304 -37.0299 -37.0298 -36.7505 -36.7504 -36.7498 -36.7498 -36.7337 -36.7337 -36.7333 -36.7333 -7.6204 -7.6199 -5.3857 -5.3819 -5.1900 -5.1840 -5.0584 -5.0489 -3.7139 -3.7112 -0.9136 -0.8941 0.9649 0.9713 1.2820 1.3369 1.6190 1.6772 1.8494 1.8585 2.0835 2.1477 3.0529 3.0926 3.2919 3.3137 4.0568 4.0671 4.6422 4.7268 4.8065 4.8875 6.8456 6.8672 6.9492 6.9516 7.5136 7.5717 8.1351 8.1366 8.5878 8.6341 k =-0.0821 0.1102 0.1375 ( 9735 PWs) bands (ev): -70.0871 -70.0871 -70.0870 -70.0870 -37.0304 -37.0304 -37.0299 -37.0298 -36.7505 -36.7504 -36.7498 -36.7498 -36.7337 -36.7337 -36.7333 -36.7333 -7.6361 -7.6357 -5.3408 -5.3373 -5.1753 -5.1694 -5.0585 -5.0495 -3.7603 -3.7580 -0.9061 -0.8876 0.9849 0.9907 1.2616 1.3139 1.5977 1.6521 1.8468 1.8544 2.0586 2.1218 3.0609 3.1026 3.2712 3.2950 4.1637 4.1701 4.6885 4.7646 4.8535 4.9283 6.7722 6.7926 6.8592 6.8595 7.4499 7.5028 8.1714 8.1724 8.5653 8.6131 k =-0.0730 0.0980 0.1222 ( 9733 PWs) bands (ev): -70.0871 -70.0871 -70.0870 -70.0870 -37.0304 -37.0304 -37.0299 -37.0298 -36.7505 -36.7504 -36.7498 -36.7498 -36.7337 -36.7337 -36.7333 -36.7333 -7.6504 -7.6500 -5.2980 -5.2947 -5.1617 -5.1560 -5.0587 -5.0502 -3.8043 -3.8025 -0.8986 -0.8814 1.0073 1.0123 1.2434 1.2924 1.5749 1.6251 1.8436 1.8500 2.0329 2.0934 3.0731 3.1153 3.2523 3.2770 4.2714 4.2744 4.7334 4.7990 4.9007 4.9675 6.7012 6.7196 6.7645 6.7649 7.3880 7.4354 8.2119 8.2122 8.5454 8.5934 k =-0.0639 0.0857 0.1069 ( 9733 PWs) bands (ev): -70.0871 -70.0871 -70.0870 -70.0870 -37.0304 -37.0304 -37.0299 -37.0298 -36.7505 -36.7505 -36.7498 -36.7498 -36.7337 -36.7337 -36.7333 -36.7333 -7.6630 -7.6627 -5.2579 -5.2549 -5.1493 -5.1438 -5.0591 -5.0511 -3.8455 -3.8441 -0.8914 -0.8757 1.0319 1.0358 1.2275 1.2727 1.5510 1.5963 1.8400 1.8454 2.0077 2.0641 3.0880 3.1294 3.2361 3.2609 4.3767 4.3769 4.7774 4.8315 4.9461 5.0042 6.6353 6.6491 6.6675 6.6690 7.3297 7.3715 8.2520 8.2549 8.5287 8.5745 k =-0.0548 0.0735 0.0916 ( 9741 PWs) bands (ev): -70.0871 -70.0871 -70.0870 -70.0870 -37.0304 -37.0304 -37.0299 -37.0298 -36.7505 -36.7505 -36.7498 -36.7498 -36.7337 -36.7337 -36.7333 -36.7333 -7.6740 -7.6737 -5.2209 -5.2182 -5.1381 -5.1329 -5.0594 -5.0520 -3.8833 -3.8822 -0.8845 -0.8705 1.0584 1.0609 1.2139 1.2550 1.5260 1.5659 1.8362 1.8407 1.9844 2.0352 3.1039 3.1434 3.2234 3.2475 4.4735 4.4771 4.8214 4.8634 4.9885 5.0376 6.5628 6.5649 6.5803 6.5952 7.2766 7.3127 8.2897 8.2967 8.5165 8.5568 k =-0.0456 0.0612 0.0764 ( 9737 PWs) bands (ev): -70.0871 -70.0871 -70.0870 -70.0870 -37.0304 -37.0304 -37.0299 -37.0298 -36.7505 -36.7505 -36.7498 -36.7497 -36.7337 -36.7337 -36.7333 -36.7333 -7.6834 -7.6831 -5.1877 -5.1856 -5.1281 -5.1234 -5.0598 -5.0532 -3.9172 -3.9163 -0.8782 -0.8661 1.0861 1.0869 1.2028 1.2393 1.5003 1.5344 1.8325 1.8362 1.9639 2.0080 3.1194 3.1554 3.2147 3.2371 4.5609 4.5680 4.8666 4.8962 5.0270 5.0671 6.4666 6.4693 6.5278 6.5408 7.2301 7.2604 8.3217 8.3346 8.5101 8.5412 k =-0.0365 0.0490 0.0611 ( 9737 PWs) bands (ev): -70.0871 -70.0871 -70.0870 -70.0870 -37.0304 -37.0304 -37.0298 -37.0298 -36.7505 -36.7505 -36.7498 -36.7497 -36.7337 -36.7337 -36.7333 -36.7333 -7.6910 -7.6908 -5.1592 -5.1577 -5.1194 -5.1154 -5.0601 -5.0544 -3.9463 -3.9457 -0.8725 -0.8626 1.1129 1.1143 1.1943 1.2259 1.4747 1.5026 1.8290 1.8321 1.9472 1.9836 3.1331 3.1635 3.2109 3.2299 4.6346 4.6448 4.9136 4.9314 5.0610 5.0920 6.3750 6.3773 6.4855 6.4959 7.1911 7.2155 8.3458 8.3654 8.5103 8.5290 k =-0.0274 0.0367 0.0458 ( 9725 PWs) bands (ev): -70.0871 -70.0871 -70.0870 -70.0870 -37.0304 -37.0304 -37.0298 -37.0298 -36.7505 -36.7505 -36.7497 -36.7497 -36.7337 -36.7337 -36.7332 -36.7332 -7.6970 -7.6969 -5.1363 -5.1356 -5.1116 -5.1088 -5.0603 -5.0557 -3.9699 -3.9696 -0.8676 -0.8600 1.1374 1.1413 1.1885 1.2153 1.4504 1.4718 1.8262 1.8286 1.9348 1.9628 3.1441 3.1667 3.2119 3.2256 4.6913 4.7029 4.9610 4.9689 5.0901 5.1121 6.2931 6.2951 6.4525 6.4604 7.1606 7.1789 8.3622 8.3859 8.5157 8.5224 k =-0.0183 0.0245 0.0305 ( 9739 PWs) bands (ev): -70.0871 -70.0871 -70.0870 -70.0870 -37.0304 -37.0304 -37.0298 -37.0298 -36.7505 -36.7505 -36.7497 -36.7497 -36.7337 -36.7337 -36.7333 -36.7333 -7.7013 -7.7012 -5.1204 -5.1201 -5.1046 -5.1034 -5.0602 -5.0570 -3.9875 -3.9872 -0.8636 -0.8585 1.1577 1.1639 1.1866 1.2079 1.4296 1.4443 1.8241 1.8258 1.9272 1.9462 3.1522 3.1663 3.2155 3.2236 4.7309 4.7407 5.0029 5.0046 5.1137 5.1271 6.2270 6.2285 6.4291 6.4343 7.1392 7.1515 8.3731 8.3946 8.5222 8.5228 k =-0.0091 0.0122 0.0153 ( 9725 PWs) bands (ev): -70.0871 -70.0871 -70.0870 -70.0870 -37.0304 -37.0304 -37.0298 -37.0298 -36.7505 -36.7505 -36.7497 -36.7497 -36.7337 -36.7337 -36.7332 -36.7332 -7.7039 -7.7038 -5.1123 -5.1115 -5.0988 -5.0988 -5.0599 -5.0582 -3.9982 -3.9981 -0.8606 -0.8580 1.1705 1.1746 1.1927 1.2042 1.4158 1.4234 1.8229 1.8238 1.9245 1.9341 3.1577 3.1643 3.2191 3.2227 4.7547 4.7603 5.0309 5.0315 5.1304 5.1365 6.1835 6.1843 6.4155 6.4181 7.1274 7.1335 8.3815 8.3941 8.5257 8.5278 k = 0.0000 0.0000 0.0000 ( 9725 PWs) bands (ev): -70.0871 -70.0871 -70.0870 -70.0870 -37.0304 -37.0304 -37.0298 -37.0298 -36.7505 -36.7505 -36.7497 -36.7497 -36.7337 -36.7337 -36.7333 -36.7333 -7.7047 -7.7047 -5.1095 -5.1095 -5.0966 -5.0966 -5.0592 -5.0592 -4.0019 -4.0019 -0.8588 -0.8588 1.1752 1.1752 1.2008 1.2008 1.4132 1.4132 1.8228 1.8228 1.9269 1.9269 3.1615 3.1615 3.2215 3.2215 4.7645 4.7645 5.0410 5.0410 5.1383 5.1383 6.1685 6.1685 6.4118 6.4118 7.1255 7.1255 8.3888 8.3888 8.5286 8.5286 k = 0.0000 0.0000 0.0000 ( 9725 PWs) bands (ev): -70.0871 -70.0871 -70.0870 -70.0870 -37.0304 -37.0304 -37.0298 -37.0298 -36.7505 -36.7505 -36.7497 -36.7497 -36.7337 -36.7337 -36.7333 -36.7333 -7.7047 -7.7047 -5.1095 -5.1095 -5.0966 -5.0966 -5.0592 -5.0592 -4.0019 -4.0019 -0.8588 -0.8588 1.1752 1.1752 1.2008 1.2008 1.4132 1.4132 1.8228 1.8228 1.9269 1.9269 3.1615 3.1615 3.2215 3.2215 4.7645 4.7645 5.0410 5.0410 5.1383 5.1383 6.1685 6.1685 6.4118 6.4118 7.1255 7.1255 8.3888 8.3888 8.5286 8.5286 k = 0.0172 0.0128-0.0000 ( 9729 PWs) bands (ev): -70.0871 -70.0871 -70.0870 -70.0870 -37.0304 -37.0304 -37.0298 -37.0298 -36.7505 -36.7505 -36.7497 -36.7497 -36.7337 -36.7337 -36.7333 -36.7333 -7.7037 -7.7037 -5.1098 -5.1098 -5.0967 -5.0967 -5.0669 -5.0669 -3.9936 -3.9936 -0.8610 -0.8610 1.1766 1.1766 1.2022 1.2022 1.4163 1.4163 1.8119 1.8119 1.9395 1.9395 3.1623 3.1623 3.2223 3.2223 4.7597 4.7597 5.0378 5.0378 5.1220 5.1220 6.1861 6.1861 6.4147 6.4147 7.1256 7.1256 8.3880 8.3880 8.5270 8.5270 k = 0.0345 0.0257-0.0000 ( 9733 PWs) bands (ev): -70.0871 -70.0871 -70.0870 -70.0870 -37.0304 -37.0304 -37.0298 -37.0298 -36.7505 -36.7505 -36.7498 -36.7498 -36.7337 -36.7337 -36.7333 -36.7333 -7.7006 -7.7006 -5.1111 -5.1111 -5.0971 -5.0971 -5.0889 -5.0889 -3.9695 -3.9695 -0.8677 -0.8677 1.1810 1.1810 1.2063 1.2063 1.4255 1.4255 1.7882 1.7882 1.9686 1.9686 3.1648 3.1648 3.2247 3.2247 4.7450 4.7450 5.0279 5.0279 5.0770 5.0770 6.2355 6.2355 6.4235 6.4235 7.1260 7.1260 8.3851 8.3851 8.5220 8.5220 k = 0.0517 0.0385-0.0000 ( 9725 PWs) bands (ev): -70.0871 -70.0871 -70.0870 -70.0870 -37.0304 -37.0304 -37.0298 -37.0298 -36.7505 -36.7505 -36.7497 -36.7497 -36.7337 -36.7337 -36.7332 -36.7332 -7.6954 -7.6954 -5.1288 -5.1288 -5.1078 -5.1078 -5.0978 -5.0978 -3.9315 -3.9315 -0.8788 -0.8788 1.1882 1.1882 1.2131 1.2131 1.4407 1.4407 1.7612 1.7612 2.0045 2.0045 3.1688 3.1688 3.2287 3.2287 4.7189 4.7189 5.0113 5.0113 5.0132 5.0132 6.3086 6.3086 6.4381 6.4381 7.1265 7.1265 8.3787 8.3787 8.5122 8.5122 k = 0.0690 0.0514-0.0000 ( 9745 PWs) bands (ev): -70.0871 -70.0871 -70.0870 -70.0870 -37.0304 -37.0304 -37.0299 -37.0299 -36.7505 -36.7505 -36.7498 -36.7498 -36.7337 -36.7337 -36.7333 -36.7333 -7.6882 -7.6882 -5.1742 -5.1742 -5.1099 -5.1099 -5.0987 -5.0987 -3.8820 -3.8820 -0.8940 -0.8940 1.1983 1.1983 1.2225 1.2225 1.4614 1.4614 1.7346 1.7346 2.0438 2.0438 3.1743 3.1743 3.2341 3.2341 4.6784 4.6784 4.9400 4.9400 4.9898 4.9898 6.3969 6.3969 6.4585 6.4585 7.1270 7.1270 8.3665 8.3665 8.4955 8.4955 k = 0.0862 0.0642-0.0000 ( 9757 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0304 -37.0304 -37.0299 -37.0299 -36.7505 -36.7505 -36.7498 -36.7498 -36.7337 -36.7337 -36.7333 -36.7333 -7.6789 -7.6789 -5.2290 -5.2290 -5.1112 -5.1112 -5.0999 -5.0999 -3.8235 -3.8235 -0.9132 -0.9132 1.2112 1.2112 1.2346 1.2346 1.4871 1.4871 1.7099 1.7099 2.0852 2.0852 3.1813 3.1813 3.2410 3.2410 4.6199 4.6199 4.8693 4.8693 4.9622 4.9622 6.4841 6.4841 6.4940 6.4940 7.1273 7.1273 8.3454 8.3454 8.4695 8.4695 k = 0.1034 0.0771-0.0000 ( 9769 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0304 -37.0304 -37.0299 -37.0299 -36.7505 -36.7505 -36.7498 -36.7498 -36.7337 -36.7337 -36.7333 -36.7333 -7.6676 -7.6676 -5.2902 -5.2902 -5.1125 -5.1125 -5.1012 -5.1012 -3.7581 -3.7581 -0.9360 -0.9360 1.2267 1.2267 1.2493 1.2493 1.5168 1.5168 1.6885 1.6885 2.1279 2.1279 3.1897 3.1897 3.2492 3.2492 4.5419 4.5419 4.8066 4.8066 4.9298 4.9298 6.5161 6.5161 6.5929 6.5929 7.1271 7.1271 8.3123 8.3123 8.4228 8.4228 k = 0.1207 0.0899-0.0000 ( 9761 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0304 -37.0304 -37.0299 -37.0299 -36.7505 -36.7505 -36.7498 -36.7498 -36.7337 -36.7337 -36.7333 -36.7333 -7.6543 -7.6543 -5.3560 -5.3560 -5.1139 -5.1139 -5.1028 -5.1028 -3.6874 -3.6874 -0.9622 -0.9622 1.2449 1.2449 1.2663 1.2663 1.5482 1.5482 1.6725 1.6725 2.1716 2.1716 3.1992 3.1992 3.2585 3.2585 4.4475 4.4475 4.7521 4.7521 4.8930 4.8930 6.5533 6.5533 6.6899 6.6899 7.1260 7.1260 8.2672 8.2672 8.3578 8.3578 k = 0.1379 0.1028-0.0000 ( 9761 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0304 -37.0304 -37.0299 -37.0299 -36.7505 -36.7505 -36.7498 -36.7498 -36.7337 -36.7337 -36.7333 -36.7333 -7.6388 -7.6388 -5.4250 -5.4250 -5.1154 -5.1154 -5.1046 -5.1046 -3.6130 -3.6130 -0.9915 -0.9915 1.2655 1.2655 1.2857 1.2857 1.5758 1.5758 1.6673 1.6673 2.2161 2.2161 3.2098 3.2098 3.2688 3.2688 4.3426 4.3426 4.7027 4.7027 4.8527 4.8527 6.5958 6.5958 6.7802 6.7802 7.1236 7.1236 8.2148 8.2148 8.2933 8.2933 k = 0.1552 0.1156 0.0000 ( 9805 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0304 -37.0304 -37.0299 -37.0299 -36.7505 -36.7505 -36.7498 -36.7498 -36.7337 -36.7337 -36.7333 -36.7333 -7.6214 -7.6214 -5.4963 -5.4963 -5.1171 -5.1171 -5.1066 -5.1066 -3.5356 -3.5356 -1.0235 -1.0235 1.2886 1.2886 1.3073 1.3073 1.5891 1.5891 1.6831 1.6831 2.2610 2.2610 3.2211 3.2211 3.2797 3.2797 4.2315 4.2315 4.6557 4.6557 4.8094 4.8094 6.6434 6.6434 6.8587 6.8587 7.1195 7.1195 8.1599 8.1599 8.2291 8.2291 k = 0.1724 0.1285-0.0000 ( 9801 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0304 -37.0304 -37.0299 -37.0299 -36.7505 -36.7505 -36.7498 -36.7498 -36.7337 -36.7337 -36.7333 -36.7333 -7.6019 -7.6019 -5.5691 -5.5691 -5.1189 -5.1189 -5.1087 -5.1087 -3.4563 -3.4563 -1.0581 -1.0581 1.3138 1.3138 1.3308 1.3308 1.5888 1.5888 1.7190 1.7190 2.3060 2.3060 3.2331 3.2331 3.2911 3.2911 4.1175 4.1175 4.6099 4.6099 4.7641 4.7641 6.6958 6.6958 6.9205 6.9205 7.1132 7.1132 8.0966 8.0966 8.1524 8.1524 k = 0.1897 0.1413-0.0000 ( 9809 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0304 -37.0304 -37.0299 -37.0299 -36.7505 -36.7505 -36.7499 -36.7499 -36.7337 -36.7337 -36.7333 -36.7333 -7.5804 -7.5804 -5.6429 -5.6429 -5.1208 -5.1208 -5.1109 -5.1109 -3.3756 -3.3756 -1.0949 -1.0949 1.3410 1.3410 1.3562 1.3562 1.5846 1.5846 1.7649 1.7649 2.3511 2.3511 3.2453 3.2453 3.3024 3.3024 4.0024 4.0024 4.5649 4.5649 4.7174 4.7174 6.7525 6.7525 6.9609 6.9609 7.1044 7.1044 8.0166 8.0166 8.0577 8.0577 k = 0.2069 0.1542 0.0000 ( 9810 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0304 -37.0304 -37.0299 -37.0299 -36.7505 -36.7505 -36.7499 -36.7499 -36.7337 -36.7337 -36.7333 -36.7333 -7.5569 -7.5569 -5.7171 -5.7171 -5.1227 -5.1227 -5.1132 -5.1132 -3.2940 -3.2940 -1.1338 -1.1338 1.3699 1.3699 1.3832 1.3832 1.5815 1.5815 1.8155 1.8155 2.3959 2.3959 3.2574 3.2574 3.3133 3.3133 3.8878 3.8878 4.5207 4.5207 4.6701 4.6701 6.8127 6.8127 6.9780 6.9780 7.0926 7.0926 7.9249 7.9249 7.9568 7.9568 k = 0.2241 0.1670-0.0000 ( 9810 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0304 -37.0304 -37.0299 -37.0299 -36.7505 -36.7505 -36.7499 -36.7499 -36.7337 -36.7337 -36.7334 -36.7334 -7.5314 -7.5314 -5.7915 -5.7915 -5.1247 -5.1247 -5.1156 -5.1156 -3.2119 -3.2119 -1.1744 -1.1744 1.4000 1.4000 1.4117 1.4117 1.5813 1.5813 1.8687 1.8687 2.4402 2.4402 3.2691 3.2691 3.3232 3.3232 3.7747 3.7747 4.4779 4.4779 4.6231 4.6231 6.8739 6.8739 6.9735 6.9735 7.0784 7.0784 7.8270 7.8270 7.8524 7.8524 k = 0.2414 0.1799-0.0000 ( 9822 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0304 -37.0304 -37.0300 -37.0300 -36.7505 -36.7505 -36.7499 -36.7499 -36.7337 -36.7337 -36.7334 -36.7334 -7.5039 -7.5039 -5.8657 -5.8657 -5.1267 -5.1267 -5.1181 -5.1181 -3.1297 -3.1297 -1.2167 -1.2167 1.4306 1.4306 1.4417 1.4417 1.5850 1.5850 1.9232 1.9232 2.4837 2.4837 3.2799 3.2799 3.3313 3.3313 3.6643 3.6643 4.4369 4.4369 4.5771 4.5771 6.9228 6.9228 6.9577 6.9577 7.0676 7.0676 7.7261 7.7261 7.7465 7.7465 k = 0.2586 0.1927-0.0000 ( 9802 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0304 -37.0304 -37.0300 -37.0300 -36.7505 -36.7505 -36.7499 -36.7499 -36.7337 -36.7337 -36.7334 -36.7334 -7.4744 -7.4744 -5.9395 -5.9395 -5.1287 -5.1287 -5.1205 -5.1205 -3.0476 -3.0476 -1.2605 -1.2605 1.4606 1.4606 1.4736 1.4736 1.5933 1.5933 1.9780 1.9780 2.5261 2.5261 3.2891 3.2891 3.3360 3.3360 3.5584 3.5584 4.3985 4.3985 4.5330 4.5330 6.9042 6.9042 6.9661 6.9661 7.0843 7.0843 7.6244 7.6244 7.6408 7.6408 k = 0.2759 0.2056-0.0000 ( 9802 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0304 -37.0304 -37.0300 -37.0300 -36.7504 -36.7504 -36.7499 -36.7499 -36.7337 -36.7337 -36.7334 -36.7334 -7.4430 -7.4430 -6.0127 -6.0127 -5.1307 -5.1307 -5.1230 -5.1230 -2.9660 -2.9660 -1.3058 -1.3058 1.4893 1.4893 1.5072 1.5072 1.6065 1.6065 2.0321 2.0321 2.5672 2.5672 3.2956 3.2956 3.3332 3.3332 3.4622 3.4622 4.3635 4.3635 4.4913 4.4913 6.8583 6.8583 6.9492 6.9492 7.1421 7.1421 7.5236 7.5236 7.5365 7.5365 k = 0.2931 0.2184-0.0000 ( 9778 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0303 -37.0303 -37.0300 -37.0300 -36.7504 -36.7504 -36.7499 -36.7499 -36.7336 -36.7336 -36.7334 -36.7334 -7.4096 -7.4096 -6.0852 -6.0852 -5.1326 -5.1326 -5.1254 -5.1254 -2.8850 -2.8850 -1.3523 -1.3523 1.5168 1.5168 1.5419 1.5419 1.6247 1.6247 2.0844 2.0844 2.6066 2.6066 3.2878 3.2878 3.3148 3.3148 3.3953 3.3953 4.3324 4.3324 4.4528 4.4528 6.8057 6.8057 6.9142 6.9142 7.2173 7.2173 7.4256 7.4256 7.4350 7.4350 k = 0.3103 0.2312-0.0000 ( 9782 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0303 -37.0303 -37.0300 -37.0300 -36.7504 -36.7504 -36.7500 -36.7500 -36.7336 -36.7336 -36.7334 -36.7334 -7.3743 -7.3743 -6.1569 -6.1569 -5.1344 -5.1344 -5.1278 -5.1278 -2.8048 -2.8048 -1.4001 -1.4001 1.5436 1.5436 1.5771 1.5771 1.6475 1.6475 2.1334 2.1334 2.6440 2.6440 3.2220 3.2220 3.3105 3.3105 3.3721 3.3721 4.3059 4.3059 4.4182 4.4182 6.7505 6.7505 6.8711 6.8711 7.2911 7.2911 7.3370 7.3370 7.3397 7.3397 k = 0.3276 0.2441-0.0000 ( 9770 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0303 -37.0303 -37.0300 -37.0300 -36.7504 -36.7504 -36.7500 -36.7500 -36.7336 -36.7336 -36.7334 -36.7334 -7.3370 -7.3370 -6.2276 -6.2276 -5.1362 -5.1362 -5.1301 -5.1301 -2.7257 -2.7257 -1.4492 -1.4492 1.5705 1.5705 1.6123 1.6123 1.6739 1.6739 2.1777 2.1777 2.6791 2.6791 3.1396 3.1396 3.3101 3.3101 3.3623 3.3623 4.2843 4.2843 4.3877 4.3877 6.6953 6.6953 6.8232 6.8232 7.2339 7.2339 7.2441 7.2441 7.3930 7.3930 k = 0.3448 0.2569-0.0000 ( 9798 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0303 -37.0303 -37.0300 -37.0300 -36.7504 -36.7504 -36.7500 -36.7500 -36.7336 -36.7336 -36.7334 -36.7334 -7.2979 -7.2979 -6.2972 -6.2972 -5.1378 -5.1378 -5.1323 -5.1323 -2.6477 -2.6477 -1.4995 -1.4995 1.5982 1.5982 1.6468 1.6468 1.7027 1.7027 2.2151 2.2151 2.7113 2.7113 3.0608 3.0608 3.3077 3.3077 3.3531 3.3531 4.2678 4.2678 4.3617 4.3617 6.6421 6.6421 6.7725 6.7725 7.1494 7.1494 7.1566 7.1566 7.4822 7.4822 k = 0.3621 0.2698 0.0000 ( 9782 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0303 -37.0303 -37.0300 -37.0300 -36.7503 -36.7503 -36.7500 -36.7500 -36.7336 -36.7336 -36.7334 -36.7334 -7.2568 -7.2568 -6.3656 -6.3656 -5.1392 -5.1392 -5.1343 -5.1343 -2.5709 -2.5709 -1.5510 -1.5510 1.6275 1.6275 1.6802 1.6802 1.7329 1.7329 2.2432 2.2432 2.7403 2.7403 2.9911 2.9911 3.3029 3.3029 3.3423 3.3423 4.2563 4.2563 4.3401 4.3401 6.5925 6.5925 6.7206 6.7206 7.0701 7.0701 7.0756 7.0756 7.5747 7.5747 k = 0.3793 0.2826-0.0000 ( 9778 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0303 -37.0303 -37.0301 -37.0301 -36.7503 -36.7503 -36.7500 -36.7500 -36.7336 -36.7336 -36.7334 -36.7334 -7.2139 -7.2139 -6.4328 -6.4328 -5.1405 -5.1405 -5.1362 -5.1362 -2.4956 -2.4956 -1.6037 -1.6037 1.6585 1.6585 1.7118 1.7118 1.7637 1.7637 2.2589 2.2589 2.7657 2.7657 2.9337 2.9337 3.2961 3.2961 3.3298 3.3298 4.2494 4.2494 4.3227 4.3227 6.5475 6.5475 6.6691 6.6691 6.9975 6.9975 7.0017 7.0017 7.6691 7.6691 k = 0.3966 0.2955-0.0000 ( 9774 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0303 -37.0303 -37.0301 -37.0301 -36.7503 -36.7503 -36.7500 -36.7500 -36.7336 -36.7336 -36.7334 -36.7334 -7.1692 -7.1692 -6.4987 -6.4987 -5.1417 -5.1417 -5.1379 -5.1379 -2.4216 -2.4216 -1.6578 -1.6578 1.6909 1.6909 1.7409 1.7409 1.7947 1.7947 2.2599 2.2599 2.7870 2.7870 2.8914 2.8914 3.2879 3.2879 3.3160 3.3160 4.2463 4.2463 4.3091 4.3091 6.5083 6.5083 6.6195 6.6195 6.9326 6.9326 6.9359 6.9359 7.7646 7.7646 k = 0.4138 0.3083 0.0000 ( 9786 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0301 -37.0301 -36.7503 -36.7503 -36.7501 -36.7501 -36.7336 -36.7336 -36.7334 -36.7334 -7.1226 -7.1226 -6.5632 -6.5632 -5.1426 -5.1426 -5.1395 -5.1395 -2.3493 -2.3493 -1.7131 -1.7131 1.7238 1.7238 1.7670 1.7670 1.8262 1.8262 2.2451 2.2451 2.8036 2.8036 2.8650 2.8650 3.2789 3.2789 3.3017 3.3017 4.2464 4.2464 4.2985 4.2985 6.4756 6.4756 6.5732 6.5732 6.8762 6.8762 6.8786 6.8786 7.8605 7.8605 k = 0.4310 0.3212-0.0000 ( 9794 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0301 -37.0301 -36.7503 -36.7503 -36.7501 -36.7501 -36.7335 -36.7335 -36.7335 -36.7335 -7.0743 -7.0743 -6.6263 -6.6263 -5.1433 -5.1433 -5.1408 -5.1408 -2.2785 -2.2785 -1.7699 -1.7699 1.7554 1.7554 1.7892 1.7892 1.8591 1.8591 2.2161 2.2161 2.8155 2.8155 2.8528 2.8528 3.2702 3.2702 3.2880 3.2880 4.2489 4.2489 4.2903 4.2903 6.4501 6.4501 6.5313 6.5313 6.8290 6.8290 6.8308 6.8308 7.9562 7.9562 k = 0.4483 0.3340-0.0000 ( 9782 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0301 -37.0301 -36.7502 -36.7502 -36.7501 -36.7501 -36.7335 -36.7335 -36.7335 -36.7335 -7.0241 -7.0241 -6.6879 -6.6879 -5.1438 -5.1438 -5.1419 -5.1419 -2.2093 -2.2093 -1.8280 -1.8280 1.7833 1.7833 1.8068 1.8068 1.8950 1.8950 2.1762 2.1762 2.8240 2.8240 2.8496 2.8496 3.2627 3.2627 3.2757 3.2757 4.2529 4.2529 4.2838 4.2838 6.4322 6.4322 6.4950 6.4950 6.7916 6.7916 6.7928 6.7928 8.0510 8.0510 k = 0.4655 0.3469-0.0000 ( 9782 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0301 -37.0301 -36.7502 -36.7502 -36.7501 -36.7501 -36.7335 -36.7335 -36.7335 -36.7335 -6.9723 -6.9723 -6.7480 -6.7480 -5.1441 -5.1441 -5.1428 -5.1428 -2.1417 -2.1417 -1.8877 -1.8877 1.8049 1.8049 1.8193 1.8193 1.9354 1.9354 2.1296 2.1296 2.8315 2.8315 2.8493 2.8493 3.2572 3.2572 3.2657 3.2657 4.2577 4.2577 4.2783 4.2783 6.4224 6.4224 6.4651 6.4651 6.7645 6.7645 6.7653 6.7653 8.1442 8.1442 k = 0.4828 0.3597-0.0000 ( 9782 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0302 -37.0302 -36.7502 -36.7502 -36.7502 -36.7502 -36.7335 -36.7335 -36.7335 -36.7335 -6.9187 -6.9187 -6.8065 -6.8065 -5.1441 -5.1441 -5.1435 -5.1435 -2.0758 -2.0758 -1.9488 -1.9488 1.8192 1.8192 1.8259 1.8259 1.9805 1.9805 2.0796 2.0796 2.8384 2.8384 2.8478 2.8478 3.2544 3.2544 3.2586 3.2586 4.2629 4.2629 4.2731 4.2731 6.4209 6.4209 6.4425 6.4425 6.7482 6.7482 6.7486 6.7486 8.2347 8.2347 k = 0.5000 0.3726-0.0000 ( 9766 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0302 -37.0302 -36.7502 -36.7502 -36.7502 -36.7502 -36.7335 -36.7335 -36.7335 -36.7335 -6.8634 -6.8634 -6.8634 -6.8634 -5.1439 -5.1439 -5.1439 -5.1439 -2.0115 -2.0115 -2.0115 -2.0115 1.8260 1.8260 1.8260 1.8260 2.0292 2.0292 2.0292 2.0292 2.8442 2.8442 2.8442 2.8442 3.2548 3.2548 3.2548 3.2548 4.2681 4.2681 4.2681 4.2681 6.4277 6.4277 6.4277 6.4277 6.7428 6.7428 6.7428 6.7428 8.3216 8.3216 k = 0.5000 0.3726-0.0000 ( 9766 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0302 -37.0302 -36.7502 -36.7502 -36.7502 -36.7502 -36.7335 -36.7335 -36.7335 -36.7335 -6.8634 -6.8634 -6.8634 -6.8634 -5.1439 -5.1439 -5.1439 -5.1439 -2.0115 -2.0115 -2.0115 -2.0115 1.8260 1.8260 1.8260 1.8260 2.0292 2.0292 2.0292 2.0292 2.8442 2.8442 2.8442 2.8442 3.2548 3.2548 3.2548 3.2548 4.2681 4.2681 4.2681 4.2681 6.4277 6.4277 6.4277 6.4277 6.7428 6.7428 6.7428 6.7428 8.3216 8.3216 k = 0.4910 0.3847 0.0151 ( 9786 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0302 -37.0302 -36.7502 -36.7502 -36.7502 -36.7502 -36.7335 -36.7335 -36.7335 -36.7335 -6.8635 -6.8635 -6.8626 -6.8624 -5.1458 -5.1458 -5.1441 -5.1435 -2.0133 -2.0117 -2.0085 -2.0085 1.8056 1.8209 1.8269 1.8357 2.0176 2.0231 2.0322 2.0477 2.8365 2.8377 2.8452 2.8495 3.2501 3.2524 3.2625 3.2640 4.2644 4.2659 4.2671 4.2714 6.4231 6.4251 6.4324 6.4333 6.7455 6.7481 6.7485 6.7539 8.3219 8.3228 k = 0.4819 0.3968 0.0302 ( 9790 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0302 -37.0302 -36.7502 -36.7502 -36.7502 -36.7502 -36.7335 -36.7335 -36.7335 -36.7335 -6.8636 -6.8636 -6.8600 -6.8597 -5.1515 -5.1514 -5.1439 -5.1427 -2.0170 -2.0139 -1.9997 -1.9995 1.7780 1.8104 1.8240 1.8334 2.0083 2.0116 2.0392 2.0715 2.8212 2.8227 2.8465 2.8563 3.2444 3.2491 3.2805 3.2830 4.2552 4.2582 4.2687 4.2771 6.4130 6.4162 6.4475 6.4492 6.7566 6.7617 6.7692 6.7794 8.3275 8.3297 k = 0.4729 0.4089 0.0453 ( 9796 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0302 -37.0302 -36.7502 -36.7502 -36.7502 -36.7502 -36.7335 -36.7335 -36.7335 -36.7335 -6.8639 -6.8639 -6.8556 -6.8551 -5.1607 -5.1606 -5.1435 -5.1416 -2.0227 -2.0181 -1.9850 -1.9847 1.7464 1.7934 1.8176 1.8232 1.9942 1.9947 2.0553 2.0981 2.7980 2.8002 2.8500 2.8651 3.2359 3.2433 3.3083 3.3114 4.2403 4.2449 4.2728 4.2853 6.4003 6.4038 6.4727 6.4750 6.7757 6.7833 6.8025 6.8165 8.3383 8.3421 k = 0.4639 0.4210 0.0605 ( 9804 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0302 -37.0302 -36.7502 -36.7502 -36.7502 -36.7502 -36.7335 -36.7335 -36.7335 -36.7335 -6.8644 -6.8644 -6.8494 -6.8488 -5.1732 -5.1731 -5.1427 -5.1403 -2.0304 -2.0243 -1.9648 -1.9644 1.7127 1.7699 1.8079 1.8091 1.9727 1.9743 2.0780 2.1259 2.7683 2.7718 2.8559 2.8762 3.2245 3.2344 3.3442 3.3474 4.2202 4.2265 4.2795 4.2961 6.3878 6.3907 6.5076 6.5105 6.8023 6.8125 6.8458 6.8625 8.3544 8.3600 k = 0.4549 0.4332 0.0756 ( 9800 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0302 -37.0302 -36.7502 -36.7502 -36.7502 -36.7502 -36.7335 -36.7335 -36.7335 -36.7335 -6.8651 -6.8650 -6.8415 -6.8407 -5.1888 -5.1887 -5.1417 -5.1387 -2.0401 -2.0326 -1.9393 -1.9389 1.6781 1.7422 1.7927 1.7949 1.9468 1.9498 2.1039 2.1538 2.7338 2.7388 2.8641 2.8895 3.2097 3.2223 3.3862 3.3892 4.1951 4.2032 4.2889 4.3094 6.3772 6.3790 6.5516 6.5550 6.8356 6.8486 6.8967 6.9155 8.3760 8.3829 k = 0.4458 0.4453 0.0907 ( 9800 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0302 -37.0302 -36.7502 -36.7502 -36.7502 -36.7502 -36.7335 -36.7335 -36.7335 -36.7335 -6.8661 -6.8661 -6.8318 -6.8309 -5.2071 -5.2069 -5.1404 -5.1367 -2.0518 -2.0429 -1.9090 -1.9086 1.6436 1.7125 1.7738 1.7788 1.9177 1.9218 2.1310 2.1813 2.6955 2.7023 2.8745 2.9048 3.1914 3.2067 3.4328 3.4354 4.1654 4.1756 4.3011 4.3252 6.3699 6.3702 6.6042 6.6080 6.8749 6.8907 6.9541 6.9744 8.4032 8.4105 k = 0.4368 0.4574 0.1058 ( 9800 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0302 -37.0301 -36.7502 -36.7502 -36.7502 -36.7501 -36.7335 -36.7335 -36.7335 -36.7335 -6.8675 -6.8675 -6.8203 -6.8193 -5.2277 -5.2274 -5.1388 -5.1346 -2.0656 -2.0554 -1.8743 -1.8739 1.6097 1.6821 1.7525 1.7597 1.8865 1.8914 2.1584 2.2080 2.6546 2.6632 2.8872 2.9220 3.1697 3.1875 3.4827 3.4847 4.1317 4.1440 4.3162 4.3437 6.3651 6.3665 6.6646 6.6685 6.9188 6.9376 7.0174 7.0387 8.4360 8.4424 k = 0.4278 0.4695 0.1209 ( 9798 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0302 -37.0301 -36.7502 -36.7502 -36.7502 -36.7501 -36.7335 -36.7335 -36.7335 -36.7335 -6.8694 -6.8694 -6.8071 -6.8059 -5.2502 -5.2498 -5.1370 -5.1322 -2.0814 -2.0700 -1.8357 -1.8354 1.5770 1.6521 1.7287 1.7379 1.8540 1.8596 2.1854 2.2339 2.6115 2.6221 2.9019 2.9411 3.1443 3.1648 3.5349 3.5362 4.0944 4.1090 4.3339 4.3646 6.3641 6.3675 6.7319 6.7358 6.9661 6.9878 7.0864 7.1084 8.4747 8.4781 k = 0.4187 0.4816 0.1360 ( 9794 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0302 -37.0301 -36.7502 -36.7502 -36.7502 -36.7501 -36.7335 -36.7335 -36.7335 -36.7335 -6.8720 -6.8719 -6.7922 -6.7908 -5.2740 -5.2735 -5.1349 -5.1295 -2.0993 -2.0867 -1.7938 -1.7935 1.5458 1.6232 1.7027 1.7135 1.8212 1.8274 2.2118 2.2587 2.5671 2.5797 2.9185 2.9618 3.1156 3.1387 3.5885 3.5890 4.0542 4.0712 4.3543 4.3877 6.3673 6.3728 6.8052 6.8091 7.0155 7.0398 7.1612 7.1838 8.5170 8.5194 k = 0.4097 0.4937 0.1511 ( 9790 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0301 -37.0301 -36.7502 -36.7502 -36.7502 -36.7501 -36.7335 -36.7335 -36.7335 -36.7335 -6.8753 -6.8753 -6.7755 -6.7740 -5.2986 -5.2980 -5.1326 -5.1267 -2.1193 -2.1057 -1.7491 -1.7489 1.5165 1.5959 1.6744 1.6869 1.7888 1.7955 2.2372 2.2824 2.5218 2.5364 2.9370 2.9839 3.0838 3.1094 3.6421 3.6427 4.0118 4.0314 4.3770 4.4128 6.3748 6.3826 6.8835 6.8871 7.0654 7.0919 7.2420 7.2652 8.5587 8.5701 k = 0.4007 0.5059 0.1662 ( 9796 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0301 -37.0301 -36.7503 -36.7502 -36.7501 -36.7501 -36.7336 -36.7336 -36.7335 -36.7335 -6.8796 -6.8795 -6.7571 -6.7555 -5.3237 -5.3229 -5.1301 -5.1236 -2.1414 -2.1269 -1.7022 -1.7022 1.4894 1.5705 1.6443 1.6585 1.7574 1.7649 2.2615 2.3049 2.4762 2.4928 2.9566 3.0066 3.0498 3.0780 3.6946 3.6967 3.9682 3.9901 4.4017 4.4395 6.3863 6.3965 6.9656 6.9690 7.1149 7.1430 7.3287 7.3527 8.6025 8.6268 k = 0.3916 0.5180 0.1814 ( 9796 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0301 -37.0301 -36.7503 -36.7502 -36.7501 -36.7501 -36.7336 -36.7336 -36.7335 -36.7335 -6.8849 -6.8848 -6.7371 -6.7353 -5.3486 -5.3477 -5.1275 -5.1204 -2.1656 -2.1503 -1.6539 -1.6537 1.4646 1.5476 1.6124 1.6285 1.7278 1.7361 2.2841 2.3257 2.4308 2.4496 2.9735 3.0175 3.0217 3.0531 3.7446 3.7491 3.9252 3.9488 4.4280 4.4674 6.4015 6.4143 7.0502 7.0533 7.1632 7.1921 7.4213 7.4462 8.6479 8.6796 k = 0.3826 0.5301 0.1965 ( 9784 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0303 -37.0302 -37.0301 -37.0301 -36.7503 -36.7502 -36.7501 -36.7501 -36.7336 -36.7336 -36.7335 -36.7334 -6.8914 -6.8913 -6.7154 -6.7134 -5.3730 -5.3720 -5.1246 -5.1171 -2.1919 -2.1759 -1.6046 -1.6041 1.4423 1.5272 1.5789 1.5972 1.7006 1.7099 2.3041 2.3431 2.3879 2.4080 2.9600 2.9964 3.0152 3.0677 3.7858 3.7968 3.8891 3.9107 4.4554 4.4958 6.4201 6.4356 7.1356 7.1387 7.2098 7.2385 7.5194 7.5453 8.6945 8.7278 k = 0.3736 0.5422 0.2116 ( 9788 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0303 -37.0302 -37.0301 -37.0301 -36.7503 -36.7502 -36.7501 -36.7501 -36.7336 -36.7336 -36.7334 -36.7334 -6.8993 -6.8991 -6.6920 -6.6899 -5.3965 -5.3952 -5.1216 -5.1136 -2.2203 -2.2037 -1.5549 -1.5541 1.4224 1.5097 1.5442 1.5651 1.6765 1.6868 2.3161 2.3322 2.3724 2.3736 2.9213 2.9577 3.0379 3.0953 3.7918 3.8221 3.8864 3.8936 4.4832 4.5244 6.4413 6.4598 7.2193 7.2235 7.2552 7.2821 7.6225 7.6496 8.7419 8.7766 k = 0.3646 0.5543 0.2267 ( 9772 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0303 -37.0302 -37.0301 -37.0301 -36.7503 -36.7502 -36.7501 -36.7500 -36.7336 -36.7336 -36.7334 -36.7334 -6.9087 -6.9085 -6.6671 -6.6648 -5.4185 -5.4170 -5.1185 -5.1100 -2.2508 -2.2337 -1.5053 -1.5042 1.4047 1.4950 1.5085 1.5327 1.6562 1.6675 2.2911 2.3011 2.3654 2.3864 2.8781 2.9161 3.0653 3.1257 3.7587 3.7997 3.9211 3.9230 4.5110 4.5524 6.4648 6.4864 7.2879 7.3049 7.3110 7.3237 7.7299 7.7585 8.7902 8.8259 k = 0.3555 0.5665 0.2418 ( 9778 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0303 -37.0302 -37.0301 -37.0300 -36.7503 -36.7502 -36.7501 -36.7500 -36.7336 -36.7336 -36.7334 -36.7334 -6.9198 -6.9195 -6.6405 -6.6381 -5.4387 -5.4370 -5.1153 -5.1063 -2.2833 -2.2659 -1.4565 -1.4549 1.3887 1.4715 1.4841 1.5009 1.6400 1.6523 2.2484 2.2657 2.3768 2.4013 2.8331 2.8731 3.0949 3.1582 3.7164 3.7626 3.9635 3.9660 4.5381 4.5792 6.4897 6.5146 7.3309 7.3576 7.3858 7.3867 7.8411 7.8711 8.8398 8.8763 k = 0.3465 0.5786 0.2569 ( 9766 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0303 -37.0302 -37.0301 -37.0300 -36.7503 -36.7502 -36.7501 -36.7500 -36.7335 -36.7335 -36.7334 -36.7334 -6.9325 -6.9321 -6.6124 -6.6098 -5.4569 -5.4550 -5.1120 -5.1026 -2.3179 -2.3002 -1.4089 -1.4068 1.3729 1.4344 1.4714 1.4758 1.6285 1.6417 2.2065 2.2271 2.3905 2.4147 2.7873 2.8294 3.1263 3.1924 3.6730 3.7246 4.0054 4.0091 4.5638 4.6043 6.5154 6.5438 7.3688 7.3928 7.4570 7.4586 7.9550 7.9866 8.8920 8.9289 k = 0.3375 0.5907 0.2720 ( 9762 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0303 -37.0302 -37.0301 -37.0300 -36.7503 -36.7502 -36.7501 -36.7500 -36.7336 -36.7336 -36.7334 -36.7334 -6.9471 -6.9466 -6.5827 -6.5800 -5.4727 -5.4706 -5.1087 -5.0989 -2.3543 -2.3366 -1.3630 -1.3603 1.3550 1.3969 1.4470 1.4710 1.6218 1.6360 2.1659 2.1887 2.4030 2.4260 2.7413 2.7855 3.1591 3.2282 3.6310 3.6885 4.0447 4.0498 4.5875 4.6269 6.5412 6.5730 7.4048 7.4254 7.5203 7.5229 8.0707 8.1040 8.9485 8.9852 k = 0.3284 0.6028 0.2871 ( 9768 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0303 -37.0302 -37.0301 -37.0300 -36.7503 -36.7502 -36.7501 -36.7500 -36.7336 -36.7336 -36.7334 -36.7334 -6.9634 -6.9629 -6.5515 -6.5487 -5.4860 -5.4837 -5.1054 -5.0952 -2.3926 -2.3749 -1.3193 -1.3159 1.3324 1.3594 1.4305 1.4695 1.6200 1.6352 2.1269 2.1514 2.4131 2.4349 2.6958 2.7421 3.1928 3.2654 3.5914 3.6556 4.0805 4.0871 4.6087 4.6465 6.5662 6.6016 7.4397 7.4566 7.5735 7.5778 8.1871 8.2222 9.0114 9.0473 k = 0.3194 0.6149 0.3023 ( 9754 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0303 -37.0302 -37.0301 -37.0300 -36.7503 -36.7502 -36.7501 -36.7500 -36.7336 -36.7335 -36.7334 -36.7334 -6.9816 -6.9810 -6.5189 -6.5160 -5.4967 -5.4941 -5.1020 -5.0915 -2.4327 -2.4151 -1.2780 -1.2739 1.3047 1.3221 1.4226 1.4713 1.6230 1.6393 2.0895 2.1157 2.4201 2.4408 2.6514 2.7000 3.2270 3.3034 3.5556 3.6270 4.1121 4.1203 4.6266 4.6625 6.5900 6.6287 7.4743 7.4873 7.6159 7.6224 8.3026 8.3397 9.0827 9.1174 k = 0.3194 0.6149 0.3023 ( 9754 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0303 -37.0302 -37.0301 -37.0300 -36.7503 -36.7502 -36.7501 -36.7500 -36.7336 -36.7335 -36.7334 -36.7334 -6.9816 -6.9810 -6.5189 -6.5160 -5.4967 -5.4941 -5.1020 -5.0915 -2.4327 -2.4151 -1.2780 -1.2739 1.3047 1.3221 1.4226 1.4713 1.6230 1.6393 2.0895 2.1157 2.4201 2.4408 2.6514 2.7000 3.2270 3.3034 3.5556 3.6270 4.1121 4.1203 4.6266 4.6625 6.5900 6.6287 7.4743 7.4873 7.6159 7.6224 8.3026 8.3397 9.0827 9.1174 k = 0.3006 0.6095 0.3091 ( 9751 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0303 -37.0302 -37.0301 -37.0300 -36.7503 -36.7502 -36.7501 -36.7500 -36.7336 -36.7335 -36.7334 -36.7334 -6.9920 -6.9914 -6.5017 -6.4988 -5.4998 -5.4971 -5.1009 -5.0901 -2.4536 -2.4362 -1.2586 -1.2542 1.2891 1.3036 1.4187 1.4691 1.6302 1.6468 2.0757 2.1024 2.4152 2.4428 2.6319 2.6841 3.2410 3.3192 3.5432 3.6175 4.1233 4.1314 4.6351 4.6693 6.6032 6.6436 7.4871 7.5015 7.6305 7.6390 8.3572 8.3947 9.1198 9.1540 k = 0.2818 0.6040 0.3159 ( 9747 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0303 -37.0302 -37.0301 -37.0300 -36.7503 -36.7502 -36.7500 -36.7500 -36.7336 -36.7335 -36.7334 -36.7334 -7.0054 -7.0048 -6.4814 -6.4784 -5.5008 -5.4977 -5.1004 -5.0895 -2.4786 -2.4615 -1.2367 -1.2321 1.2696 1.2819 1.4112 1.4613 1.6449 1.6615 2.0675 2.0944 2.3989 2.4402 2.6149 2.6740 3.2523 3.3319 3.5361 3.6124 4.1306 4.1370 4.6448 4.6760 6.6220 6.6646 7.4943 7.5161 7.6431 7.6554 8.4153 8.4524 9.1627 9.1970 k = 0.2630 0.5985 0.3228 ( 9760 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0303 -37.0302 -37.0301 -37.0300 -36.7503 -36.7503 -36.7500 -36.7500 -36.7336 -36.7336 -36.7334 -36.7334 -7.0205 -7.0199 -6.4592 -6.4563 -5.4994 -5.4960 -5.1008 -5.0897 -2.5068 -2.4902 -1.2130 -1.2084 1.2471 1.2577 1.4015 1.4504 1.6639 1.6809 2.0648 2.0914 2.3760 2.4287 2.6035 2.6684 3.2610 3.3416 3.5345 3.6114 4.1341 4.1375 4.6541 4.6812 6.6463 6.6914 7.4985 7.5298 7.6571 7.6730 8.4750 8.5110 9.2095 9.2452 k = 0.2442 0.5930 0.3296 ( 9770 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0303 -37.0302 -37.0301 -37.0300 -36.7504 -36.7503 -36.7500 -36.7500 -36.7336 -36.7336 -36.7334 -36.7334 -7.0364 -7.0359 -6.4363 -6.4334 -5.4955 -5.4917 -5.1022 -5.0909 -2.5373 -2.5214 -1.1881 -1.1836 1.2223 1.2318 1.3909 1.4381 1.6848 1.7025 2.0670 2.0932 2.3496 2.4087 2.5980 2.6652 3.2677 3.3482 3.5385 3.6145 4.1334 4.1341 4.6611 4.6835 6.6759 6.7237 7.5019 7.5423 7.6746 7.6925 8.5357 8.5700 9.2560 9.2949 k = 0.2255 0.5875 0.3364 ( 9764 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0303 -37.0302 -37.0301 -37.0300 -36.7503 -36.7503 -36.7500 -36.7500 -36.7336 -36.7336 -36.7334 -36.7334 -7.0526 -7.0521 -6.4136 -6.4109 -5.4891 -5.4848 -5.1046 -5.0932 -2.5694 -2.5542 -1.1626 -1.1581 1.1961 1.2047 1.3799 1.4251 1.7062 1.7249 2.0734 2.0991 2.3223 2.3837 2.5961 2.6623 3.2729 3.3521 3.5481 3.6217 4.1256 4.1307 4.6641 4.6821 6.7108 6.7612 7.5061 7.5539 7.6968 7.7143 8.5973 8.6296 9.2971 9.3411 k = 0.2067 0.5821 0.3433 ( 9772 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0303 -37.0303 -37.0300 -37.0300 -36.7504 -36.7503 -36.7500 -36.7500 -36.7336 -36.7336 -36.7334 -36.7334 -7.0685 -7.0680 -6.3918 -6.3892 -5.4802 -5.4753 -5.1082 -5.0966 -2.6021 -2.5878 -1.1369 -1.1327 1.1694 1.1774 1.3688 1.4119 1.7270 1.7467 2.0834 2.1085 2.2963 2.3573 2.5953 2.6583 3.2775 3.3540 3.5631 3.6326 4.1143 4.1244 4.6616 4.6762 6.7509 6.8037 7.5120 7.5645 7.7244 7.7390 8.6596 8.6902 9.3271 9.3784 k = 0.1879 0.5766 0.3501 ( 9769 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0303 -37.0303 -37.0300 -37.0300 -36.7504 -36.7503 -36.7500 -36.7500 -36.7336 -36.7336 -36.7334 -36.7334 -7.0837 -7.0833 -6.3714 -6.3689 -5.4688 -5.4634 -5.1130 -5.1013 -2.6347 -2.6215 -1.1116 -1.1076 1.1429 1.1503 1.3579 1.3985 1.7464 1.7673 2.0956 2.1202 2.2735 2.3324 2.5937 2.6523 3.2821 3.3549 3.5828 3.6471 4.1002 4.1155 4.6522 4.6658 6.7962 6.8509 7.5190 7.5737 7.7579 7.7676 8.7220 8.7519 9.3389 9.3957 k = 0.1691 0.5711 0.3569 ( 9778 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0303 -37.0303 -37.0300 -37.0300 -36.7504 -36.7503 -36.7500 -36.7500 -36.7336 -36.7336 -36.7334 -36.7334 -7.0979 -7.0976 -6.3526 -6.3504 -5.4551 -5.4491 -5.1192 -5.1073 -2.6666 -2.6544 -1.0871 -1.0834 1.1173 1.1242 1.3471 1.3850 1.7640 1.7859 2.1088 2.1328 2.2561 2.3113 2.5900 2.6433 3.2876 3.3558 3.6066 3.6647 4.0840 4.1046 4.6356 4.6509 6.8464 6.9026 7.5260 7.5808 7.7962 7.8021 8.7831 8.8138 9.3290 9.3748 k = 0.1503 0.5656 0.3638 ( 9784 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0303 -37.0303 -37.0300 -37.0300 -36.7504 -36.7503 -36.7500 -36.7500 -36.7336 -36.7336 -36.7334 -36.7334 -7.1111 -7.1108 -6.3359 -6.3338 -5.4393 -5.4328 -5.1267 -5.1148 -2.6970 -2.6859 -1.0638 -1.0605 1.0932 1.0995 1.3367 1.3716 1.7795 1.8023 2.1210 2.1436 2.2465 2.2964 2.5835 2.6312 3.2947 3.3574 3.6337 3.6849 4.0662 4.0922 4.6127 4.6312 6.9011 6.9583 7.5316 7.5852 7.8362 7.8459 8.8398 8.8740 9.3039 9.3407 k = 0.1315 0.5601 0.3706 ( 9781 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0303 -37.0303 -37.0300 -37.0300 -36.7504 -36.7503 -36.7500 -36.7500 -36.7336 -36.7336 -36.7334 -36.7334 -7.1229 -7.1227 -6.3212 -6.3193 -5.4218 -5.4147 -5.1356 -5.1238 -2.7252 -2.7154 -1.0422 -1.0393 1.0711 1.0767 1.3269 1.3584 1.7930 1.8161 2.1300 2.1498 2.2475 2.2899 2.5738 2.6156 3.3035 3.3601 3.6633 3.7067 4.0476 4.0790 4.5848 4.6069 6.9598 7.0173 7.5344 7.5862 7.8795 7.8962 8.8874 8.9283 9.2721 9.3016 k = 0.1127 0.5547 0.3774 ( 9779 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0303 -37.0303 -37.0300 -37.0300 -36.7504 -36.7503 -36.7500 -36.7500 -36.7336 -36.7336 -36.7334 -36.7334 -7.1334 -7.1332 -6.3086 -6.3070 -5.4029 -5.3954 -5.1458 -5.1342 -2.7509 -2.7423 -1.0227 -1.0201 1.0513 1.0563 1.3178 1.3455 1.8046 1.8273 2.1343 2.1503 2.2595 2.2931 2.5607 2.5967 3.3142 3.3642 3.6943 3.7292 4.0293 4.0657 4.5535 4.5786 7.0212 7.0787 7.5335 7.5836 7.9266 7.9497 8.9183 8.9693 9.2413 9.2604 k = 0.0939 0.5492 0.3843 ( 9768 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0303 -37.0303 -37.0300 -37.0300 -36.7504 -36.7503 -36.7500 -36.7500 -36.7336 -36.7336 -36.7334 -36.7334 -7.1424 -7.1422 -6.2981 -6.2967 -5.3832 -5.3754 -5.1572 -5.1459 -2.7733 -2.7661 -1.0054 -1.0033 1.0342 1.0384 1.3097 1.3334 1.8146 1.8359 2.1342 2.1471 2.2796 2.3056 2.5443 2.5747 3.3263 3.3691 3.7254 3.7512 4.0125 4.0529 4.5209 4.5478 7.0840 7.1408 7.5283 7.5769 7.9760 8.0036 8.9249 8.9855 9.2195 9.2268 k = 0.0752 0.5437 0.3911 ( 9759 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0303 -37.0303 -37.0300 -37.0300 -36.7504 -36.7503 -36.7500 -36.7499 -36.7336 -36.7336 -36.7334 -36.7334 -7.1498 -7.1496 -6.2896 -6.2885 -5.3633 -5.3554 -5.1694 -5.1587 -2.7922 -2.7863 -0.9909 -0.9892 1.0199 1.0234 1.3031 1.3223 1.8231 1.8420 2.1321 2.1424 2.3044 2.3249 2.5247 2.5501 3.3392 3.3743 3.7549 3.7715 3.9987 4.0411 4.4893 4.5162 7.1465 7.2018 7.5185 7.5659 8.0251 8.0548 8.9077 8.9698 9.2081 9.2117 k = 0.0564 0.5382 0.3979 ( 9758 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0303 -37.0303 -37.0300 -37.0300 -36.7504 -36.7503 -36.7500 -36.7499 -36.7336 -36.7336 -36.7334 -36.7333 -7.1556 -7.1555 -6.2831 -6.2823 -5.3440 -5.3365 -5.1817 -5.1721 -2.8071 -2.8027 -0.9792 -0.9779 1.0088 1.0114 1.2980 1.3127 1.8304 1.8457 2.1296 2.1375 2.3321 2.3488 2.5024 2.5233 3.3519 3.3788 3.7804 3.7887 3.9897 4.0305 4.4615 4.4860 7.2065 7.2587 7.5047 7.5501 8.0713 8.0996 8.8784 8.9325 9.2039 9.2083 k = 0.0376 0.5328 0.4047 ( 9756 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0303 -37.0303 -37.0300 -37.0300 -36.7504 -36.7503 -36.7499 -36.7499 -36.7336 -36.7336 -36.7334 -36.7334 -7.1597 -7.1597 -6.2785 -6.2779 -5.3266 -5.3203 -5.1930 -5.1851 -2.8178 -2.8148 -0.9707 -0.9698 1.0008 1.0026 1.2949 1.3048 1.8365 1.8473 2.1278 2.1331 2.3610 2.3753 2.4779 2.4950 3.3634 3.3817 3.7994 3.8019 3.9872 4.0205 4.4406 4.4595 7.2614 7.3071 7.4890 7.5297 8.1109 8.1337 8.8508 8.8908 9.2033 9.2068 k = 0.0188 0.5273 0.4116 ( 9758 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0303 -37.0303 -37.0300 -37.0300 -36.7503 -36.7503 -36.7499 -36.7499 -36.7336 -36.7336 -36.7334 -36.7334 -7.1622 -7.1622 -6.2757 -6.2754 -5.3132 -5.3092 -5.2007 -5.1961 -2.8239 -2.8224 -0.9654 -0.9649 0.9962 0.9971 1.2940 1.2989 1.8413 1.8469 2.1271 2.1298 2.3901 2.4026 2.4523 2.4662 3.3727 3.3819 3.8101 3.8107 3.9913 4.0103 4.4292 4.4396 7.3073 7.3374 7.4787 7.5062 8.1401 8.1530 8.8351 8.8565 9.2035 9.2055 k = 0.0000 0.5218 0.4184 ( 9768 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0303 -37.0303 -37.0300 -37.0300 -36.7504 -36.7504 -36.7500 -36.7500 -36.7336 -36.7336 -36.7334 -36.7334 -7.1631 -7.1631 -6.2746 -6.2746 -5.3066 -5.3066 -5.2020 -5.2020 -2.8255 -2.8255 -0.9635 -0.9635 0.9950 0.9950 1.2953 1.2953 1.8449 1.8449 2.1278 2.1278 2.4151 2.4151 2.4409 2.4409 3.3789 3.3789 3.8136 3.8136 4.0000 4.0000 4.4289 4.4289 7.3368 7.3368 7.4853 7.4853 8.1551 8.1551 8.8368 8.8368 9.2042 9.2042 k = 0.0000 0.5218 0.4184 ( 9768 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0303 -37.0303 -37.0300 -37.0300 -36.7504 -36.7504 -36.7500 -36.7500 -36.7336 -36.7336 -36.7334 -36.7334 -7.1631 -7.1631 -6.2746 -6.2746 -5.3066 -5.3066 -5.2020 -5.2020 -2.8255 -2.8255 -0.9635 -0.9635 0.9950 0.9950 1.2953 1.2953 1.8449 1.8449 2.1278 2.1278 2.4151 2.4151 2.4409 2.4409 3.3789 3.3789 3.8136 3.8136 4.0000 4.0000 4.4289 4.4289 7.3368 7.3368 7.4853 7.4853 8.1551 8.1551 8.8368 8.8368 9.2042 9.2042 k = 0.0093 0.5094 0.4339 ( 9756 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0303 -37.0303 -37.0300 -37.0300 -36.7504 -36.7503 -36.7499 -36.7499 -36.7336 -36.7336 -36.7333 -36.7333 -7.1623 -7.1622 -6.2749 -6.2749 -5.3076 -5.3071 -5.2025 -5.2022 -2.8243 -2.8243 -0.9673 -0.9659 0.9925 0.9939 1.2950 1.2950 1.8416 1.8496 2.1142 2.1179 2.4158 2.4221 2.4498 2.4608 3.3785 3.3829 3.8130 3.8165 3.9987 4.0025 4.4274 4.4303 7.3292 7.3328 7.4831 7.4839 8.1521 8.1572 8.8432 8.8444 9.2025 9.2045 k = 0.0185 0.4969 0.4494 ( 9756 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0303 -37.0303 -37.0300 -37.0300 -36.7503 -36.7503 -36.7499 -36.7499 -36.7336 -36.7336 -36.7334 -36.7334 -7.1599 -7.1597 -6.2757 -6.2756 -5.3103 -5.3093 -5.2035 -5.2030 -2.8206 -2.8206 -0.9772 -0.9745 0.9864 0.9893 1.2938 1.2940 1.8403 1.8558 2.0838 2.0885 2.4254 2.4387 2.4812 2.5016 3.3815 3.3902 3.8145 3.8217 3.9986 4.0062 4.4258 4.4316 7.3102 7.3177 7.4776 7.4793 8.1484 8.1584 8.8629 8.8655 9.1987 9.2027 k = 0.0278 0.4845 0.4649 ( 9750 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0303 -37.0303 -37.0300 -37.0300 -36.7503 -36.7503 -36.7500 -36.7499 -36.7336 -36.7336 -36.7334 -36.7334 -7.1559 -7.1556 -6.2770 -6.2769 -5.3145 -5.3130 -5.2051 -5.2044 -2.8146 -2.8145 -0.9931 -0.9891 0.9767 0.9809 1.2913 1.2916 1.8417 1.8642 2.0462 2.0494 2.4441 2.4643 2.5254 2.5535 3.3880 3.4010 3.8181 3.8291 4.0000 4.0111 4.4241 4.4327 7.2812 7.2925 7.4687 7.4714 8.1441 8.1590 8.8943 8.8983 9.1915 9.1974 k = 0.0370 0.4721 0.4804 ( 9750 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0303 -37.0303 -37.0300 -37.0300 -36.7503 -36.7503 -36.7500 -36.7499 -36.7336 -36.7336 -36.7334 -36.7334 -7.1503 -7.1499 -6.2788 -6.2787 -5.3201 -5.3182 -5.2074 -5.2065 -2.8062 -2.8060 -1.0145 -1.0094 0.9633 0.9685 1.2863 1.2870 1.8469 1.8753 2.0086 2.0087 2.4705 2.4969 2.5754 2.6105 3.3978 3.4148 3.8236 3.8386 4.0029 4.0175 4.4222 4.4336 7.2438 7.2592 7.4569 7.4606 8.1398 8.1592 8.9346 8.9405 9.1788 9.1859 k = 0.0463 0.4597 0.4959 ( 9746 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0303 -37.0303 -37.0300 -37.0300 -36.7503 -36.7503 -36.7500 -36.7499 -36.7336 -36.7336 -36.7334 -36.7334 -7.1431 -7.1426 -6.2814 -6.2812 -5.3270 -5.3246 -5.2102 -5.2091 -2.7954 -2.7952 -1.0411 -1.0350 0.9460 0.9522 1.2777 1.2788 1.8567 1.8896 1.9716 1.9759 2.5034 2.5351 2.6274 2.6689 3.4108 3.4317 3.8308 3.8501 4.0078 4.0256 4.4201 4.4342 7.2002 7.2197 7.4422 7.4469 8.1358 8.1595 8.9800 8.9892 9.1589 9.1650 k = 0.0556 0.4472 0.5114 ( 9758 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0303 -37.0303 -37.0300 -37.0300 -36.7503 -36.7503 -36.7500 -36.7499 -36.7336 -36.7336 -36.7334 -36.7334 -7.1343 -7.1337 -6.2847 -6.2845 -5.3350 -5.3322 -5.2137 -5.2123 -2.7823 -2.7821 -1.0724 -1.0653 0.9251 0.9320 1.2642 1.2658 1.8714 1.9059 1.9414 1.9529 2.5414 2.5776 2.6787 2.7266 3.4269 3.4514 3.8394 3.8634 4.0149 4.0357 4.4177 4.4344 7.1526 7.1761 7.4247 7.4303 8.1326 8.1602 9.0229 9.0405 9.1332 9.1346 k = 0.0648 0.4348 0.5269 ( 9760 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0303 -37.0303 -37.0300 -37.0300 -36.7503 -36.7503 -36.7500 -36.7499 -36.7336 -36.7336 -36.7334 -36.7334 -7.1239 -7.1233 -6.2888 -6.2885 -5.3439 -5.3407 -5.2177 -5.2162 -2.7670 -2.7667 -1.1077 -1.0999 0.9008 0.9083 1.2448 1.2468 1.8906 1.9152 1.9214 1.9509 2.5834 2.6232 2.7278 2.7821 3.4458 3.4735 3.8491 3.8782 4.0247 4.0482 4.4150 4.4342 7.1028 7.1305 7.4047 7.4109 8.1304 8.1619 9.0368 9.0717 9.1108 9.1298 k = 0.0741 0.4224 0.5424 ( 9754 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0303 -37.0303 -37.0300 -37.0300 -36.7503 -36.7503 -36.7500 -36.7500 -36.7336 -36.7336 -36.7334 -36.7334 -7.1120 -7.1113 -6.2939 -6.2936 -5.3534 -5.3498 -5.2224 -5.2206 -2.7495 -2.7490 -1.1467 -1.1382 0.8736 0.8816 1.2189 1.2213 1.9045 1.9153 1.9224 1.9732 2.6282 2.6708 2.7735 2.8340 3.4673 3.4978 3.8597 3.8940 4.0375 4.0632 4.4118 4.4335 7.0526 7.0843 7.3821 7.3888 8.1295 8.1648 9.0013 9.0264 9.1536 9.1641 k = 0.0833 0.4100 0.5579 ( 9760 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0303 -37.0303 -37.0300 -37.0300 -36.7503 -36.7503 -36.7500 -36.7500 -36.7336 -36.7336 -36.7334 -36.7334 -7.0986 -7.0978 -6.3000 -6.2997 -5.3632 -5.3594 -5.2276 -5.2256 -2.7299 -2.7293 -1.1887 -1.1798 0.8442 0.8526 1.1867 1.1893 1.9076 1.9208 1.9497 2.0049 2.6749 2.7193 2.8148 2.8814 3.4914 3.5242 3.8711 3.9108 4.0534 4.0811 4.4080 4.4321 7.0033 7.0391 7.3573 7.3643 8.1302 8.1693 8.9459 8.9658 9.1993 9.2078 k = 0.0926 0.3975 0.5734 ( 9746 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0303 -37.0302 -37.0300 -37.0300 -36.7503 -36.7503 -36.7500 -36.7500 -36.7336 -36.7336 -36.7334 -36.7334 -7.0837 -7.0828 -6.3074 -6.3070 -5.3732 -5.3690 -5.2334 -5.2312 -2.7082 -2.7075 -1.2334 -1.2240 0.8132 0.8220 1.1492 1.1517 1.9186 1.9353 1.9834 2.0414 2.7225 2.7677 2.8513 2.9236 3.5178 3.5522 3.8831 3.9281 4.0724 4.1019 4.4037 4.4300 6.9563 6.9959 7.3304 7.3374 8.1324 8.1756 8.8827 8.8999 9.2244 9.2373 k = 0.1019 0.3851 0.5889 ( 9748 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0303 -37.0302 -37.0300 -37.0300 -36.7503 -36.7503 -36.7500 -36.7500 -36.7336 -36.7336 -36.7334 -36.7334 -7.0673 -7.0664 -6.3161 -6.3157 -5.3830 -5.3785 -5.2398 -5.2374 -2.6846 -2.6836 -1.2801 -1.2704 0.7814 0.7904 1.1076 1.1097 1.9385 1.9582 2.0209 2.0812 2.7700 2.8149 2.8824 2.9598 3.5466 3.5818 3.8959 3.9458 4.0942 4.1253 4.3988 4.4272 6.9123 6.9558 7.3016 7.3084 8.1362 8.1836 8.8157 8.8309 9.2054 9.2056 k = 0.1111 0.3727 0.6044 ( 9740 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0303 -37.0302 -37.0300 -37.0300 -36.7503 -36.7503 -36.7500 -36.7500 -36.7336 -36.7336 -36.7334 -36.7334 -7.0496 -7.0486 -6.3263 -6.3258 -5.3923 -5.3877 -5.2468 -5.2442 -2.6590 -2.6579 -1.3286 -1.3187 0.7494 0.7587 1.0631 1.0647 1.9663 1.9887 2.0611 2.1236 2.8164 2.8593 2.9084 2.9898 3.5778 3.6128 3.9096 3.9639 4.1183 4.1510 4.3932 4.4237 6.8722 6.9193 7.2713 7.2776 8.1413 8.1931 8.7467 8.7607 9.1743 9.1788 k = 0.1204 0.3603 0.6199 ( 9738 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0303 -37.0302 -37.0300 -37.0300 -36.7503 -36.7503 -36.7500 -36.7500 -36.7336 -36.7336 -36.7334 -36.7334 -7.0305 -7.0294 -6.3381 -6.3375 -5.4009 -5.3961 -5.2543 -5.2515 -2.6316 -2.6302 -1.3784 -1.3683 0.7179 0.7273 1.0170 1.0180 2.0006 2.0255 2.1035 2.1677 2.8607 2.8987 2.9302 3.0134 3.6114 3.6452 3.9244 3.9825 4.1440 4.1782 4.3870 4.4195 6.8365 6.8869 7.2396 7.2452 8.1473 8.2039 8.6774 8.6902 9.1453 9.1548 k = 0.1296 0.3478 0.6354 ( 9742 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0303 -37.0302 -37.0300 -37.0300 -36.7503 -36.7503 -36.7500 -36.7500 -36.7336 -36.7336 -36.7334 -36.7334 -7.0101 -7.0089 -6.3515 -6.3509 -5.4087 -5.4037 -5.2623 -5.2593 -2.6025 -2.6008 -1.4292 -1.4191 0.6874 0.6969 0.9704 0.9706 2.0403 2.0677 2.1475 2.2131 2.9014 2.9271 2.9526 3.0307 3.6478 3.6792 3.9404 4.0015 4.1703 4.2060 4.3801 4.4146 6.8056 6.8590 7.2070 7.2116 8.1537 8.2152 8.6086 8.6206 9.1173 9.1341 k = 0.1389 0.3354 0.6509 ( 9746 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0303 -37.0302 -37.0300 -37.0300 -36.7503 -36.7503 -36.7500 -36.7500 -36.7336 -36.7336 -36.7334 -36.7334 -6.9885 -6.9872 -6.3667 -6.3659 -5.4153 -5.4101 -5.2708 -5.2676 -2.5716 -2.5696 -1.4807 -1.4707 0.6584 0.6680 0.9234 0.9240 2.0845 2.1142 2.1926 2.2593 2.9371 2.9402 2.9790 3.0420 3.6870 3.7147 3.9579 4.0211 4.1964 4.2336 4.3728 4.4092 6.7798 6.8358 7.1737 7.1771 8.1598 8.2261 8.5415 8.5526 9.0889 9.1159 k = 0.1481 0.3230 0.6664 ( 9748 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0303 -37.0302 -37.0301 -37.0300 -36.7503 -36.7502 -36.7501 -36.7500 -36.7335 -36.7335 -36.7334 -36.7334 -6.9656 -6.9643 -6.3836 -6.3827 -5.4206 -5.4153 -5.2797 -5.2764 -2.5390 -2.5368 -1.5327 -1.5227 0.6314 0.6410 0.8771 0.8785 2.1321 2.1642 2.2384 2.3058 2.9441 2.9661 3.0024 3.0484 3.7292 3.7521 3.9767 4.0412 4.2212 4.2598 4.3651 4.4035 6.7590 6.8171 7.1403 7.1420 8.1645 8.2351 8.4768 8.4870 9.0599 9.0993 k = 0.1574 0.3105 0.6819 ( 9754 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0303 -37.0302 -37.0301 -37.0300 -36.7503 -36.7502 -36.7501 -36.7500 -36.7335 -36.7335 -36.7334 -36.7334 -6.9417 -6.9403 -6.4022 -6.4012 -5.4245 -5.4192 -5.2890 -5.2856 -2.5049 -2.5024 -1.5850 -1.5751 0.6067 0.6163 0.8324 0.8345 2.1824 2.2170 2.2848 2.3524 2.9420 2.9864 3.0192 3.0510 3.7744 3.7915 3.9968 4.0618 4.2435 4.2835 4.3573 4.3975 6.7434 6.8030 7.1067 7.1070 8.1668 8.2406 8.4154 8.4246 9.0330 9.0841 k = 0.1667 0.2981 0.6974 ( 9758 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0303 -37.0302 -37.0301 -37.0300 -36.7503 -36.7502 -36.7501 -36.7500 -36.7335 -36.7335 -36.7334 -36.7334 -6.9167 -6.9152 -6.4225 -6.4215 -5.4270 -5.4216 -5.2987 -5.2951 -2.4693 -2.4664 -1.6373 -1.6277 0.5847 0.5943 0.7896 0.7926 2.2345 2.2719 2.3316 2.3988 2.9349 2.9957 3.0284 3.0517 3.8222 3.8330 4.0179 4.0828 4.2620 4.3036 4.3498 4.3917 6.7327 6.7931 7.0716 7.0742 8.1658 8.2408 8.3579 8.3659 9.0130 9.0722 k = 0.1759 0.2857 0.7129 ( 9760 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0303 -37.0302 -37.0301 -37.0300 -36.7503 -36.7502 -36.7501 -36.7500 -36.7335 -36.7335 -36.7334 -36.7334 -6.8907 -6.8892 -6.4444 -6.4433 -5.4279 -5.4225 -5.3086 -5.3049 -2.4322 -2.4290 -1.6895 -1.6801 0.5656 0.5751 0.7492 0.7529 2.2875 2.3281 2.3786 2.4449 2.9235 2.9937 3.0295 3.0507 3.8721 3.8764 4.0400 4.1040 4.2752 4.3190 4.3431 4.3864 6.7266 6.7872 7.0370 7.0423 8.1607 8.2346 8.3051 8.3116 9.0044 9.0670 k = 0.1852 0.2733 0.7284 ( 9760 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0303 -37.0302 -37.0301 -37.0300 -36.7503 -36.7502 -36.7501 -36.7500 -36.7335 -36.7335 -36.7334 -36.7334 -6.8639 -6.8624 -6.4679 -6.4667 -5.4274 -5.4220 -5.3187 -5.3149 -2.3938 -2.3901 -1.7415 -1.7324 0.5498 0.5590 0.7115 0.7159 2.3404 2.3849 2.4261 2.4904 2.9082 2.9828 3.0227 3.0462 3.9214 3.9232 4.0627 4.1253 4.2818 4.3285 4.3381 4.3819 6.7249 6.7849 7.0033 7.0118 8.1515 8.2213 8.2581 8.2623 9.0098 9.0714 k = 0.1944 0.2608 0.7438 ( 9754 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0301 -37.0300 -36.7503 -36.7502 -36.7501 -36.7500 -36.7335 -36.7335 -36.7334 -36.7334 -6.8363 -6.8347 -6.4927 -6.4914 -5.4255 -5.4201 -5.3290 -5.3251 -2.3539 -2.3499 -1.7931 -1.7843 0.5372 0.5463 0.6767 0.6819 2.3922 2.4417 2.4740 2.5351 2.8897 2.9656 3.0084 3.0363 3.9671 3.9744 4.0859 4.1464 4.2813 4.3319 4.3343 4.3780 6.7272 6.7858 6.9708 6.9828 8.1388 8.2004 8.2186 8.2190 9.0298 9.0870 k = 0.2037 0.2484 0.7593 ( 9748 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0301 -37.0300 -36.7503 -36.7502 -36.7501 -36.7500 -36.7335 -36.7335 -36.7334 -36.7334 -6.8080 -6.8064 -6.5187 -6.5173 -5.4222 -5.4168 -5.3393 -5.3353 -2.3128 -2.3084 -1.8443 -1.8357 0.5283 0.5370 0.6451 0.6510 2.4417 2.4974 2.5226 2.5788 2.8685 2.9441 2.9872 3.0202 4.0127 4.0244 4.1092 4.1673 4.2750 4.3300 4.3301 4.3734 6.7330 6.7896 6.9399 6.9556 8.1238 8.1722 8.1810 8.1901 9.0631 9.1140 k = 0.2130 0.2360 0.7748 ( 9738 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0301 -37.0301 -37.0300 -36.7502 -36.7502 -36.7501 -36.7500 -36.7335 -36.7335 -36.7334 -36.7334 -6.7792 -6.7776 -6.5458 -6.5444 -5.4177 -5.4122 -5.3496 -5.3455 -2.2705 -2.2657 -1.8949 -1.8867 0.5229 0.5313 0.6168 0.6234 2.4878 2.5512 2.5715 2.6210 2.8456 2.9197 2.9602 2.9986 4.0568 4.0717 4.1327 4.1880 4.2648 4.3231 4.3246 4.3661 6.7419 6.7958 6.9107 6.9306 8.1080 8.1447 8.1502 8.1663 9.1078 9.1512 k = 0.2222 0.2236 0.7903 ( 9732 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0301 -37.0301 -37.0300 -36.7502 -36.7501 -36.7501 -36.7500 -36.7335 -36.7335 -36.7334 -36.7334 -6.7500 -6.7484 -6.5737 -6.5722 -5.4120 -5.4065 -5.3597 -5.3556 -2.2270 -2.2219 -1.9449 -1.9369 0.5214 0.5292 0.5920 0.5994 2.5292 2.6018 2.6199 2.6605 2.8222 2.8938 2.9284 2.9726 4.0980 4.1140 4.1561 4.2088 4.2521 4.3122 4.3172 4.3552 6.7534 6.8041 6.8837 6.9080 8.0931 8.1229 8.1263 8.1454 9.1615 9.1972 k = 0.2315 0.2111 0.8058 ( 9732 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0301 -37.0301 -37.0300 -36.7502 -36.7501 -36.7501 -36.7500 -36.7335 -36.7335 -36.7334 -36.7334 -6.7204 -6.7188 -6.6024 -6.6008 -5.4055 -5.3998 -5.3694 -5.3654 -2.1824 -2.1770 -1.9941 -1.9865 0.5236 0.5306 0.5708 0.5792 2.5640 2.6475 2.6655 2.6943 2.8008 2.8691 2.8940 2.9448 4.1343 4.1481 4.1793 4.2305 4.2376 4.2974 4.3083 4.3411 6.7669 6.8139 6.8592 6.8880 8.0810 8.1076 8.1094 8.1285 9.2212 9.2495 k = 0.2407 0.1987 0.8213 ( 9722 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0301 -37.0301 -37.0300 -36.7502 -36.7501 -36.7501 -36.7500 -36.7335 -36.7335 -36.7334 -36.7334 -6.6907 -6.6892 -6.6316 -6.6299 -5.3985 -5.3922 -5.3783 -5.3749 -2.1368 -2.1312 -2.0425 -2.0350 0.5296 0.5351 0.5533 0.5635 2.5889 2.6853 2.7022 2.7153 2.7864 2.8510 2.8613 2.9203 4.1632 4.1703 4.1991 4.2236 4.2536 4.2811 4.2967 4.3275 6.7808 6.8238 6.8389 6.8721 8.0730 8.0988 8.0994 8.1174 9.2801 9.3031 k = 0.2500 0.1863 0.8368 ( 9716 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0301 -37.0301 -37.0300 -36.7502 -36.7501 -36.7501 -36.7501 -36.7334 -36.7334 -36.7334 -36.7334 -6.6613 -6.6613 -6.6608 -6.6576 -5.3937 -5.3841 -5.3836 -5.3836 -2.0911 -2.0911 -2.0892 -2.0760 0.5389 0.5389 0.5402 0.5558 2.5984 2.7057 2.7172 2.7172 2.7832 2.8449 2.8449 2.9094 4.1779 4.1779 4.2031 4.2203 4.2720 4.2721 4.2830 4.3219 6.7884 6.8291 6.8291 6.8648 8.0702 8.0960 8.0960 8.1134 9.3108 9.3355 k = 0.2500 0.1863 0.8368 ( 9716 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0301 -37.0301 -37.0300 -36.7502 -36.7501 -36.7501 -36.7501 -36.7334 -36.7334 -36.7334 -36.7334 -6.6613 -6.6613 -6.6608 -6.6576 -5.3937 -5.3841 -5.3836 -5.3836 -2.0911 -2.0911 -2.0892 -2.0760 0.5389 0.5389 0.5402 0.5558 2.5984 2.7057 2.7172 2.7172 2.7832 2.8449 2.8449 2.9094 4.1779 4.1779 4.2031 4.2203 4.2720 4.2721 4.2830 4.3219 6.7884 6.8291 6.8291 6.8648 8.0702 8.0960 8.0960 8.1134 9.3108 9.3355 k = 0.2639 0.1966 0.8239 ( 9721 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0301 -37.0301 -37.0300 -36.7502 -36.7501 -36.7501 -36.7500 -36.7334 -36.7334 -36.7334 -36.7334 -6.6777 -6.6763 -6.6444 -6.6428 -5.3957 -5.3888 -5.3813 -5.3789 -2.1168 -2.1119 -2.0631 -2.0556 0.5353 0.5388 0.5484 0.5601 2.5832 2.6583 2.6881 2.7034 2.8058 2.8484 2.8960 2.9281 4.1660 4.1799 4.2053 4.2186 4.2581 4.2833 4.2924 4.3262 6.7808 6.8215 6.8308 6.8644 8.0742 8.0994 8.0999 8.1176 9.2945 9.3117 k = 0.2778 0.2070 0.8110 ( 9723 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0301 -37.0301 -37.0300 -36.7502 -36.7501 -36.7501 -36.7500 -36.7335 -36.7335 -36.7334 -36.7334 -6.6927 -6.6913 -6.6296 -6.6281 -5.3991 -5.3933 -5.3769 -5.3740 -2.1415 -2.1365 -2.0382 -2.0311 0.5361 0.5411 0.5608 0.5705 2.5429 2.5844 2.6443 2.6553 2.8346 2.8675 2.9726 2.9813 4.1509 4.1704 4.2127 4.2137 4.2457 4.2955 4.3088 4.3381 6.7584 6.8000 6.8339 6.8642 8.0859 8.1084 8.1115 8.1311 9.2595 9.2663 k = 0.2917 0.2173 0.7981 ( 9740 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0301 -37.0301 -37.0301 -36.7502 -36.7502 -36.7501 -36.7501 -36.7335 -36.7335 -36.7334 -36.7334 -6.7061 -6.7047 -6.6166 -6.6153 -5.4026 -5.3973 -5.3724 -5.3694 -2.1635 -2.1590 -2.0153 -2.0084 0.5417 0.5473 0.5765 0.5850 2.4857 2.5078 2.5930 2.6016 2.8638 2.8873 3.0461 3.0486 4.1352 4.1572 4.2064 4.2154 4.2418 4.3074 4.3283 4.3557 6.7248 6.7668 6.8364 6.8631 8.1043 8.1221 8.1312 8.1543 9.2180 9.2196 k = 0.3056 0.2277 0.7852 ( 9741 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0301 -37.0301 -36.7502 -36.7502 -36.7501 -36.7501 -36.7335 -36.7335 -36.7334 -36.7334 -6.7178 -6.7165 -6.6055 -6.6044 -5.4057 -5.4007 -5.3681 -5.3653 -2.1825 -2.1784 -1.9946 -1.9879 0.5516 0.5576 0.5955 0.6031 2.4197 2.4313 2.5382 2.5467 2.8929 2.9092 3.1087 3.1174 4.1200 4.1431 4.1977 4.2081 4.2498 4.3185 4.3503 4.3783 6.6834 6.7251 6.8369 6.8602 8.1273 8.1400 8.1596 8.1863 9.1760 9.1773 k = 0.3194 0.2380 0.7723 ( 9749 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0301 -37.0301 -36.7502 -36.7502 -36.7501 -36.7501 -36.7335 -36.7335 -36.7335 -36.7335 -6.7278 -6.7264 -6.5965 -6.5955 -5.4083 -5.4036 -5.3644 -5.3619 -2.1980 -2.1945 -1.9763 -1.9698 0.5655 0.5718 0.6175 0.6243 2.3503 2.3562 2.4815 2.4908 2.9213 2.9323 3.1638 3.1763 4.1055 4.1290 4.1884 4.1977 4.2618 4.3282 4.3755 4.4052 6.6370 6.6778 6.8354 6.8554 8.1535 8.1619 8.1962 8.2255 9.1367 9.1401 k = 0.3333 0.2484 0.7594 ( 9753 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0301 -37.0301 -36.7502 -36.7502 -36.7501 -36.7501 -36.7335 -36.7335 -36.7335 -36.7335 -6.7359 -6.7346 -6.5895 -6.5887 -5.4103 -5.4059 -5.3613 -5.3592 -2.2096 -2.2066 -1.9605 -1.9541 0.5828 0.5895 0.6423 0.6483 2.2807 2.2834 2.4240 2.4345 2.9484 2.9557 3.2094 3.2240 4.0918 4.1150 4.1787 4.1870 4.2738 4.3361 4.4043 4.4359 6.5888 6.6281 6.8320 6.8491 8.1826 8.1875 8.2392 8.2704 9.1022 9.1072 k = 0.3472 0.2587 0.7465 ( 9749 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0301 -37.0301 -36.7502 -36.7502 -36.7501 -36.7501 -36.7335 -36.7335 -36.7335 -36.7335 -6.7422 -6.7410 -6.5847 -6.5840 -5.4119 -5.4076 -5.3592 -5.3573 -2.2169 -2.2146 -1.9474 -1.9410 0.6033 0.6102 0.6693 0.6745 2.2128 2.2139 2.3668 2.3783 2.9739 2.9783 3.2444 3.2599 4.0789 4.1013 4.1690 4.1767 4.2843 4.3421 4.4365 4.4688 6.5420 6.5790 6.8271 6.8416 8.2142 8.2161 8.2869 8.3195 9.0725 9.0791 k = 0.3611 0.2691 0.7336 ( 9745 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0301 -37.0301 -36.7502 -36.7502 -36.7501 -36.7501 -36.7335 -36.7335 -36.7334 -36.7334 -6.7467 -6.7455 -6.5821 -6.5815 -5.4128 -5.4087 -5.3579 -5.3565 -2.2197 -2.2180 -1.9369 -1.9306 0.6263 0.6336 0.6982 0.7024 2.1480 2.1485 2.3104 2.3230 2.9974 2.9996 3.2687 3.2840 4.0667 4.0880 4.1596 4.1669 4.2925 4.3463 4.4704 4.5019 6.4996 6.5339 6.8209 6.8331 8.2471 8.2480 8.3374 8.3714 9.0478 9.0558 k = 0.3750 0.2794 0.7207 ( 9750 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0301 -37.0301 -36.7502 -36.7502 -36.7501 -36.7501 -36.7335 -36.7335 -36.7335 -36.7334 -6.7493 -6.7481 -6.5817 -6.5813 -5.4132 -5.4093 -5.3576 -5.3567 -2.2177 -2.2166 -1.9292 -1.9230 0.6513 0.6589 0.7282 0.7314 2.0876 2.0882 2.2556 2.2692 3.0184 3.0189 3.2828 3.2971 4.0553 4.0751 4.1504 4.1577 4.2985 4.3488 4.5033 4.5322 6.4651 6.4959 6.8137 6.8240 8.2799 8.2834 8.3888 8.4244 9.0281 9.0371 k = 0.3889 0.2898 0.7078 ( 9744 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0301 -37.0301 -36.7502 -36.7502 -36.7501 -36.7501 -36.7335 -36.7335 -36.7334 -36.7334 -6.7499 -6.7488 -6.5835 -6.5833 -5.4129 -5.4092 -5.3584 -5.3578 -2.2108 -2.2103 -1.9243 -1.9182 0.6778 0.6859 0.7586 0.7605 2.0327 2.0340 2.2032 2.2176 3.0358 3.0367 3.2873 3.3001 4.0448 4.0630 4.1418 4.1492 4.3026 4.3500 4.5317 4.5564 6.4414 6.4682 6.8060 6.8147 8.3137 8.3197 8.4390 8.4767 9.0132 9.0219 k = 0.4028 0.3001 0.6949 ( 9749 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0301 -37.0301 -36.7502 -36.7502 -36.7501 -36.7501 -36.7335 -36.7335 -36.7334 -36.7334 -6.7486 -6.7475 -6.5877 -6.5876 -5.4121 -5.4085 -5.3600 -5.3599 -2.1991 -2.1989 -1.9224 -1.9164 0.7053 0.7138 0.7883 0.7889 1.9846 1.9869 2.1535 2.1688 3.0499 3.0520 3.2832 3.2941 4.0353 4.0517 4.1337 4.1411 4.3052 4.3501 4.5522 4.5715 6.4311 6.4534 6.7979 6.8052 8.3476 8.3562 8.4856 8.5259 9.0028 9.0071 k = 0.4167 0.3105 0.6820 ( 9749 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0301 -37.0301 -36.7502 -36.7502 -36.7501 -36.7501 -36.7335 -36.7335 -36.7335 -36.7334 -6.7454 -6.7443 -6.5943 -6.5942 -5.4106 -5.4072 -5.3628 -5.3625 -2.1830 -2.1821 -1.9235 -1.9176 0.7332 0.7422 0.8155 0.8165 1.9443 1.9482 2.1072 2.1234 3.0611 3.0641 3.2714 3.2802 4.0268 4.0414 4.1259 4.1335 4.3072 4.3497 4.5621 4.5751 6.4362 6.4537 6.7897 6.7958 8.3804 8.3917 8.5254 8.5689 8.9892 8.9967 k = 0.4306 0.3208 0.6691 ( 9737 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0301 -37.0301 -36.7502 -36.7502 -36.7501 -36.7501 -36.7335 -36.7335 -36.7334 -36.7334 -6.7401 -6.7391 -6.6034 -6.6031 -5.4085 -5.4052 -5.3664 -5.3657 -2.1621 -2.1605 -1.9276 -1.9218 0.7610 0.7706 0.8391 0.8419 1.9131 1.9189 2.0648 2.0816 3.0691 3.0729 3.2528 3.2593 4.0194 4.0320 4.1184 4.1258 4.3094 4.3495 4.5595 4.5660 6.4571 6.4699 6.7815 6.7867 8.4108 8.4251 8.5549 8.6011 8.9722 8.9943 k = 0.4444 0.3312 0.6561 ( 9740 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0301 -37.0301 -36.7502 -36.7502 -36.7501 -36.7501 -36.7335 -36.7335 -36.7335 -36.7335 -6.7329 -6.7319 -6.6148 -6.6143 -5.4059 -5.4027 -5.3705 -5.3694 -2.1365 -2.1342 -1.9348 -1.9291 0.7884 0.7985 0.8588 0.8635 1.8920 1.8999 2.0266 2.0439 3.0740 3.0783 3.2282 3.2324 4.0126 4.0232 4.1110 4.1177 4.3126 4.3499 4.5443 4.5444 6.4932 6.5016 6.7735 6.7779 8.4371 8.4544 8.5706 8.6176 8.9621 8.9940 k = 0.4583 0.3415 0.6432 ( 9748 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0301 -37.0301 -36.7502 -36.7502 -36.7501 -36.7501 -36.7335 -36.7335 -36.7335 -36.7335 -6.7237 -6.7227 -6.6286 -6.6280 -5.4026 -5.3997 -5.3749 -5.3734 -2.1067 -2.1037 -1.9450 -1.9395 0.8149 0.8256 0.8738 0.8805 1.8817 1.8920 1.9928 2.0106 3.0756 3.0803 3.1985 3.2005 4.0060 4.0143 4.1032 4.1089 4.3175 4.3514 4.5118 4.5178 6.5425 6.5471 6.7659 6.7697 8.4573 8.4770 8.5708 8.6149 8.9617 8.9937 k = 0.4722 0.3519 0.6303 ( 9750 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0301 -37.0301 -36.7502 -36.7502 -36.7501 -36.7501 -36.7335 -36.7335 -36.7335 -36.7335 -6.7125 -6.7115 -6.6447 -6.6440 -5.3989 -5.3961 -5.3792 -5.3774 -2.0729 -2.0692 -1.9583 -1.9529 0.8403 0.8514 0.8837 0.8923 1.8825 1.8952 1.9639 1.9818 3.0740 3.0787 3.1645 3.1646 3.9988 4.0046 4.0952 4.0993 4.3240 4.3533 4.4720 4.4827 6.6020 6.6035 6.7589 6.7622 8.4689 8.4885 8.5582 8.5942 8.9699 8.9935 k = 0.4861 0.3622 0.6174 ( 9752 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0301 -37.0301 -36.7502 -36.7502 -36.7501 -36.7501 -36.7335 -36.7335 -36.7335 -36.7335 -6.6992 -6.6983 -6.6631 -6.6623 -5.3947 -5.3925 -5.3829 -5.3812 -2.0356 -2.0313 -1.9746 -1.9694 0.8645 0.8755 0.8892 0.8990 1.8939 1.9082 1.9407 1.9576 3.0681 3.0720 3.1270 3.1284 3.9897 3.9927 4.0865 4.0887 4.3309 4.3514 4.4326 4.4440 6.6663 6.6670 6.7540 6.7566 8.4686 8.4814 8.5403 8.5608 8.9822 8.9940 k = 0.5000 0.3726 0.6045 ( 9754 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0301 -37.0301 -36.7502 -36.7502 -36.7501 -36.7501 -36.7335 -36.7335 -36.7335 -36.7335 -6.6848 -6.6848 -6.6820 -6.6820 -5.3911 -5.3911 -5.3835 -5.3835 -1.9978 -1.9978 -1.9865 -1.9865 0.8871 0.8871 0.9015 0.9015 1.9134 1.9134 1.9396 1.9396 3.0534 3.0534 3.0955 3.0955 3.9775 3.9775 4.0762 4.0762 4.3326 4.3326 4.4115 4.4115 6.7211 6.7211 6.7637 6.7637 8.4530 8.4530 8.5216 8.5216 8.9946 8.9946 k = 0.5000 0.3726 0.6045 ( 9754 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0301 -37.0301 -36.7502 -36.7502 -36.7501 -36.7501 -36.7335 -36.7335 -36.7335 -36.7335 -6.6848 -6.6848 -6.6820 -6.6820 -5.3911 -5.3911 -5.3835 -5.3835 -1.9978 -1.9978 -1.9865 -1.9865 0.8871 0.8871 0.9015 0.9015 1.9134 1.9134 1.9396 1.9396 3.0534 3.0534 3.0955 3.0955 3.9775 3.9775 4.0762 4.0762 4.3326 4.3326 4.4115 4.4115 6.7211 6.7211 6.7637 6.7637 8.4530 8.4530 8.5216 8.5216 8.9946 8.9946 k = 0.5000 0.3726 0.5829 ( 9760 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0301 -37.0301 -36.7502 -36.7502 -36.7501 -36.7501 -36.7335 -36.7335 -36.7335 -36.7335 -6.6897 -6.6897 -6.6869 -6.6869 -5.3894 -5.3894 -5.3818 -5.3818 -1.9804 -1.9804 -1.9688 -1.9688 0.9059 0.9059 0.9215 0.9215 1.9201 1.9201 1.9490 1.9490 3.0106 3.0106 3.0530 3.0530 3.9501 3.9501 4.0534 4.0534 4.3035 4.3035 4.3862 4.3862 6.7736 6.7736 6.8162 6.8162 8.3969 8.3969 8.4629 8.4629 9.0015 9.0015 k = 0.5000 0.3726 0.5613 ( 9760 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0301 -37.0301 -36.7502 -36.7502 -36.7501 -36.7501 -36.7335 -36.7335 -36.7335 -36.7335 -6.6952 -6.6952 -6.6923 -6.6923 -5.3868 -5.3868 -5.3792 -5.3792 -1.9635 -1.9635 -1.9516 -1.9516 0.9265 0.9265 0.9438 0.9438 1.9270 1.9270 1.9588 1.9588 2.9693 2.9693 3.0118 3.0118 3.9209 3.9209 4.0274 4.0274 4.2769 4.2769 4.3617 4.3617 6.8237 6.8237 6.8661 6.8661 8.3321 8.3321 8.3943 8.3943 8.9972 8.9972 k = 0.5000 0.3726 0.5398 ( 9764 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0301 -37.0301 -36.7502 -36.7502 -36.7501 -36.7501 -36.7335 -36.7335 -36.7335 -36.7335 -6.7012 -6.7012 -6.6983 -6.6983 -5.3833 -5.3833 -5.3756 -5.3756 -1.9474 -1.9474 -1.9351 -1.9351 0.9489 0.9489 0.9683 0.9683 1.9342 1.9342 1.9688 1.9688 2.9299 2.9299 2.9724 2.9724 3.8901 3.8901 3.9981 3.9981 4.2532 4.2532 4.3384 4.3384 6.8697 6.8697 6.9117 6.9117 8.2624 8.2624 8.3205 8.3205 8.9781 8.9781 k = 0.5000 0.3726 0.5182 ( 9768 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0301 -37.0301 -36.7502 -36.7502 -36.7501 -36.7501 -36.7335 -36.7335 -36.7335 -36.7335 -6.7077 -6.7077 -6.7048 -6.7048 -5.3787 -5.3787 -5.3711 -5.3711 -1.9326 -1.9326 -1.9199 -1.9199 0.9733 0.9733 0.9952 0.9952 1.9414 1.9414 1.9790 1.9790 2.8932 2.8932 2.9354 2.9354 3.8579 3.8579 3.9660 3.9660 4.2327 4.2327 4.3167 4.3167 6.9098 6.9098 6.9511 6.9511 8.1905 8.1905 8.2447 8.2447 8.9450 8.9450 k = 0.5000 0.3726 0.4966 ( 9762 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0301 -37.0301 -36.7502 -36.7502 -36.7501 -36.7501 -36.7335 -36.7335 -36.7335 -36.7335 -6.7147 -6.7147 -6.7118 -6.7118 -5.3731 -5.3731 -5.3654 -5.3654 -1.9192 -1.9192 -1.9063 -1.9063 0.9997 0.9997 1.0244 1.0244 1.9488 1.9488 1.9892 1.9892 2.8595 2.8595 2.9012 2.9012 3.8246 3.8246 3.9315 3.9315 4.2154 4.2154 4.2967 4.2967 6.9421 6.9421 6.9822 6.9822 8.1183 8.1183 8.1690 8.1690 8.9013 8.9013 k = 0.5000 0.3726 0.4750 ( 9756 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0301 -37.0301 -36.7502 -36.7502 -36.7501 -36.7501 -36.7335 -36.7335 -36.7335 -36.7335 -6.7222 -6.7222 -6.7193 -6.7193 -5.3663 -5.3663 -5.3587 -5.3587 -1.9077 -1.9077 -1.8945 -1.8945 1.0282 1.0282 1.0560 1.0560 1.9561 1.9561 1.9995 1.9995 2.8292 2.8292 2.8700 2.8700 3.7904 3.7904 3.8953 3.8953 4.2011 4.2011 4.2787 4.2787 6.9650 6.9650 7.0033 7.0033 8.0470 8.0470 8.0947 8.0947 8.8515 8.8515 k = 0.5000 0.3726 0.4534 ( 9752 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0301 -37.0301 -36.7502 -36.7502 -36.7501 -36.7501 -36.7335 -36.7335 -36.7335 -36.7335 -6.7301 -6.7301 -6.7273 -6.7273 -5.3584 -5.3584 -5.3509 -5.3509 -1.8983 -1.8983 -1.8849 -1.8849 1.0588 1.0588 1.0900 1.0900 1.9633 1.9633 2.0096 2.0096 2.8025 2.8025 2.8421 2.8421 3.7556 3.7556 3.8578 3.8578 4.1895 4.1895 4.2628 4.2628 6.9771 6.9771 7.0131 7.0131 7.9770 7.9770 8.0225 8.0225 8.8000 8.8000 k = 0.5000 0.3726 0.4318 ( 9778 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0301 -37.0301 -36.7502 -36.7502 -36.7501 -36.7501 -36.7335 -36.7335 -36.7335 -36.7335 -6.7384 -6.7384 -6.7356 -6.7356 -5.3495 -5.3495 -5.3421 -5.3421 -1.8911 -1.8911 -1.8776 -1.8776 1.0915 1.0915 1.1262 1.1262 1.9705 1.9705 2.0196 2.0196 2.7795 2.7795 2.8176 2.8176 3.7205 3.7205 3.8198 3.8198 4.1804 4.1804 4.2491 4.2491 6.9776 6.9776 7.0107 7.0107 7.9083 7.9083 7.9523 7.9523 8.7502 8.7502 k = 0.5000 0.3726 0.4102 ( 9786 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0301 -37.0301 -36.7502 -36.7502 -36.7501 -36.7501 -36.7335 -36.7335 -36.7335 -36.7335 -6.7469 -6.7469 -6.7442 -6.7442 -5.3395 -5.3395 -5.3322 -5.3322 -1.8863 -1.8863 -1.8727 -1.8727 1.1263 1.1263 1.1646 1.1646 1.9775 1.9775 2.0293 2.0293 2.7604 2.7604 2.7965 2.7965 3.6855 3.6855 3.7816 3.7816 4.1737 4.1737 4.2375 4.2375 6.9665 6.9665 6.9964 6.9964 7.8402 7.8402 7.8833 7.8833 8.7050 8.7050 k = 0.5000 0.3726 0.3886 ( 9782 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0301 -37.0301 -36.7502 -36.7502 -36.7501 -36.7501 -36.7335 -36.7335 -36.7335 -36.7335 -6.7557 -6.7557 -6.7531 -6.7531 -5.3286 -5.3286 -5.3215 -5.3215 -1.8839 -1.8839 -1.8703 -1.8703 1.1630 1.1630 1.2051 1.2051 1.9844 1.9844 2.0388 2.0388 2.7451 2.7451 2.7788 2.7788 3.6507 3.6507 3.7435 3.7435 4.1692 4.1692 4.2281 4.2281 6.9447 6.9447 6.9713 6.9713 7.7718 7.7718 7.8144 7.8144 8.6656 8.6656 k = 0.5000 0.3726 0.3670 ( 9780 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0301 -37.0301 -36.7502 -36.7502 -36.7501 -36.7501 -36.7335 -36.7335 -36.7335 -36.7335 -6.7646 -6.7646 -6.7621 -6.7621 -5.3168 -5.3168 -5.3099 -5.3099 -1.8839 -1.8839 -1.8704 -1.8704 1.2015 1.2015 1.2475 1.2475 1.9910 1.9910 2.0480 2.0480 2.7333 2.7333 2.7646 2.7646 3.6164 3.6164 3.7060 3.7060 4.1668 4.1668 4.2209 4.2209 6.9136 6.9136 6.9371 6.9371 7.7023 7.7023 7.7444 7.7444 8.6325 8.6325 k = 0.5000 0.3726 0.3454 ( 9792 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0301 -37.0301 -36.7502 -36.7502 -36.7501 -36.7501 -36.7335 -36.7335 -36.7335 -36.7335 -6.7736 -6.7736 -6.7712 -6.7712 -5.3043 -5.3043 -5.2976 -5.2976 -1.8862 -1.8862 -1.8729 -1.8729 1.2417 1.2417 1.2916 1.2916 1.9973 1.9973 2.0567 2.0567 2.7250 2.7250 2.7538 2.7538 3.5828 3.5828 3.6691 3.6691 4.1663 4.1663 4.2158 4.2159 6.8753 6.8753 6.8959 6.8959 7.6312 7.6312 7.6726 7.6726 8.6050 8.6050 k = 0.5000 0.3726 0.3239 ( 9782 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0301 -37.0301 -36.7502 -36.7502 -36.7501 -36.7501 -36.7335 -36.7335 -36.7335 -36.7335 -6.7826 -6.7826 -6.7803 -6.7803 -5.2912 -5.2912 -5.2847 -5.2847 -1.8907 -1.8907 -1.8777 -1.8777 1.2833 1.2833 1.3370 1.3370 2.0032 2.0032 2.0649 2.0649 2.7198 2.7198 2.7464 2.7464 3.5501 3.5501 3.6331 3.6331 4.1676 4.1676 4.2129 4.2129 6.8319 6.8319 6.8499 6.8499 7.5586 7.5586 7.5988 7.5988 8.5819 8.5819 k = 0.5000 0.3726 0.3023 ( 9786 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0301 -37.0301 -36.7502 -36.7502 -36.7501 -36.7501 -36.7335 -36.7335 -36.7335 -36.7335 -6.7914 -6.7914 -6.7893 -6.7893 -5.2777 -5.2777 -5.2715 -5.2715 -1.8972 -1.8972 -1.8845 -1.8845 1.3261 1.3261 1.3835 1.3835 2.0087 2.0087 2.0726 2.0726 2.7174 2.7174 2.7424 2.7424 3.5182 3.5182 3.5979 3.5979 4.1707 4.1707 4.2118 4.2118 6.7854 6.7854 6.8012 6.8012 7.4845 7.4845 7.5232 7.5232 8.5617 8.5617 k = 0.5000 0.3726 0.2807 ( 9792 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0301 -37.0301 -36.7502 -36.7502 -36.7501 -36.7501 -36.7335 -36.7335 -36.7335 -36.7335 -6.8001 -6.8001 -6.7981 -6.7981 -5.2639 -5.2639 -5.2580 -5.2580 -1.9053 -1.9053 -1.8932 -1.8932 1.3696 1.3696 1.4306 1.4306 2.0135 2.0135 2.0794 2.0794 2.7174 2.7174 2.7417 2.7417 3.4875 3.4875 3.5637 3.5637 4.1753 4.1753 4.2126 4.2126 6.7378 6.7378 6.7517 6.7517 7.4097 7.4097 7.4466 7.4466 8.5429 8.5429 k = 0.5000 0.3726 0.2591 ( 9798 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0301 -37.0301 -36.7502 -36.7502 -36.7501 -36.7501 -36.7335 -36.7335 -36.7335 -36.7335 -6.8085 -6.8085 -6.8066 -6.8066 -5.2500 -5.2500 -5.2444 -5.2444 -1.9148 -1.9148 -1.9032 -1.9032 1.4136 1.4136 1.4780 1.4780 2.0175 2.0175 2.0854 2.0854 2.7196 2.7196 2.7442 2.7442 3.4579 3.4579 3.5306 3.5306 4.1812 4.1812 4.2151 4.2151 6.6906 6.6906 6.7027 6.7027 7.3348 7.3348 7.3697 7.3697 8.5243 8.5243 k = 0.5000 0.3726 0.2375 ( 9806 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0302 -37.0302 -36.7502 -36.7502 -36.7502 -36.7502 -36.7335 -36.7335 -36.7335 -36.7335 -6.8165 -6.8165 -6.8148 -6.8148 -5.2362 -5.2362 -5.2310 -5.2310 -1.9254 -1.9254 -1.9144 -1.9144 1.4577 1.4577 1.5251 1.5251 2.0206 2.0206 2.0901 2.0901 2.7239 2.7239 2.7497 2.7497 3.4295 3.4295 3.4984 3.4984 4.1883 4.1883 4.2191 4.2191 6.6451 6.6451 6.6557 6.6557 7.2604 7.2604 7.2933 7.2933 8.5051 8.5051 k = 0.5000 0.3726 0.2159 ( 9800 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0302 -37.0302 -36.7502 -36.7502 -36.7502 -36.7502 -36.7335 -36.7335 -36.7335 -36.7335 -6.8241 -6.8241 -6.8225 -6.8225 -5.2228 -5.2228 -5.2179 -5.2179 -1.9366 -1.9366 -1.9264 -1.9264 1.5014 1.5014 1.5714 1.5714 2.0226 2.0226 2.0935 2.0935 2.7302 2.7302 2.7579 2.7579 3.4023 3.4023 3.4674 3.4674 4.1964 4.1964 4.2242 4.2242 6.6026 6.6026 6.6118 6.6118 7.1876 7.1876 7.2183 7.2183 8.4848 8.4848 k = 0.5000 0.3726 0.1943 ( 9808 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0302 -37.0302 -36.7502 -36.7502 -36.7502 -36.7502 -36.7335 -36.7335 -36.7335 -36.7335 -6.8312 -6.8312 -6.8297 -6.8297 -5.2098 -5.2098 -5.2053 -5.2053 -1.9482 -1.9482 -1.9388 -1.9388 1.5444 1.5444 1.6164 1.6164 2.0234 2.0234 2.0953 2.0953 2.7384 2.7384 2.7681 2.7681 3.3766 3.3766 3.4374 3.4374 4.2052 4.2052 4.2303 4.2303 6.5638 6.5638 6.5718 6.5718 7.1169 7.1170 7.1455 7.1455 8.4632 8.4632 k = 0.5000 0.3726 0.1727 ( 9796 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0302 -37.0302 -36.7502 -36.7502 -36.7502 -36.7502 -36.7335 -36.7335 -36.7335 -36.7335 -6.8377 -6.8377 -6.8364 -6.8364 -5.1975 -5.1975 -5.1934 -5.1934 -1.9596 -1.9596 -1.9511 -1.9511 1.5863 1.5863 1.6596 1.6596 2.0229 2.0229 2.0954 2.0954 2.7486 2.7486 2.7800 2.7800 3.3523 3.3523 3.4086 3.4086 4.2143 4.2143 4.2369 4.2369 6.5295 6.5295 6.5365 6.5365 7.0494 7.0494 7.0758 7.0758 8.4407 8.4407 k = 0.5000 0.3726 0.1511 ( 9800 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0302 -37.0302 -36.7502 -36.7502 -36.7502 -36.7502 -36.7335 -36.7335 -36.7335 -36.7335 -6.8436 -6.8436 -6.8424 -6.8424 -5.1861 -5.1860 -5.1824 -5.1824 -1.9707 -1.9707 -1.9631 -1.9631 1.6266 1.6266 1.7003 1.7003 2.0211 2.0211 2.0934 2.0934 2.7604 2.7604 2.7928 2.7928 3.3296 3.3296 3.3812 3.3812 4.2236 4.2236 4.2437 4.2437 6.5001 6.5001 6.5063 6.5063 6.9857 6.9857 7.0099 7.0099 8.4178 8.4178 k = 0.5000 0.3726 0.1295 ( 9790 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0302 -37.0302 -36.7502 -36.7502 -36.7502 -36.7502 -36.7335 -36.7335 -36.7335 -36.7335 -6.8488 -6.8488 -6.8478 -6.8478 -5.1757 -5.1757 -5.1726 -5.1725 -1.9810 -1.9810 -1.9743 -1.9743 1.6649 1.6650 1.7377 1.7377 2.0184 2.0184 2.0893 2.0893 2.7737 2.7737 2.8059 2.8059 3.3089 3.3089 3.3553 3.3553 4.2327 4.2327 4.2503 4.2503 6.4760 6.4760 6.4816 6.4816 6.9269 6.9269 6.9487 6.9487 8.3952 8.3952 k = 0.5000 0.3726 0.1080 ( 9800 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0302 -37.0302 -36.7502 -36.7502 -36.7502 -36.7502 -36.7335 -36.7335 -36.7335 -36.7335 -6.8532 -6.8532 -6.8524 -6.8524 -5.1666 -5.1666 -5.1639 -5.1639 -1.9901 -1.9901 -1.9846 -1.9846 1.7010 1.7010 1.7708 1.7708 2.0152 2.0152 2.0831 2.0831 2.7878 2.7878 2.8186 2.8186 3.2906 3.2906 3.3311 3.3311 4.2413 4.2413 4.2563 4.2563 6.4572 6.4572 6.4624 6.4624 6.8739 6.8739 6.8932 6.8932 8.3740 8.3740 k = 0.5000 0.3726 0.0864 ( 9792 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0302 -37.0302 -36.7502 -36.7502 -36.7502 -36.7502 -36.7335 -36.7335 -36.7335 -36.7335 -6.8569 -6.8569 -6.8563 -6.8563 -5.1588 -5.1588 -5.1567 -5.1567 -1.9980 -1.9980 -1.9934 -1.9934 1.7342 1.7342 1.7985 1.7985 2.0123 2.0123 2.0749 2.0749 2.8021 2.8021 2.8299 2.8299 3.2751 3.2751 3.3092 3.3092 4.2492 4.2492 4.2614 4.2614 6.4436 6.4436 6.4483 6.4483 6.8280 6.8280 6.8444 6.8444 8.3551 8.3551 k = 0.5000 0.3726 0.0648 ( 9796 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0302 -37.0302 -36.7502 -36.7502 -36.7502 -36.7502 -36.7335 -36.7335 -36.7335 -36.7335 -6.8598 -6.8598 -6.8593 -6.8593 -5.1526 -5.1526 -5.1510 -5.1510 -2.0042 -2.0042 -2.0008 -2.0008 1.7641 1.7641 1.8192 1.8192 2.0112 2.0112 2.0647 2.0647 2.8159 2.8159 2.8389 2.8389 3.2632 3.2632 3.2899 3.2899 4.2560 4.2560 4.2654 4.2654 6.4346 6.4346 6.4388 6.4388 6.7906 6.7906 6.8036 6.8036 8.3397 8.3397 k = 0.5000 0.3726 0.0432 ( 9786 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0302 -37.0302 -36.7502 -36.7502 -36.7502 -36.7502 -36.7335 -36.7335 -36.7335 -36.7335 -6.8619 -6.8619 -6.8615 -6.8615 -5.1480 -5.1480 -5.1469 -5.1469 -2.0086 -2.0086 -2.0063 -2.0063 1.7900 1.7900 1.8310 1.8310 2.0133 2.0133 2.0532 2.0532 2.8281 2.8281 2.8446 2.8446 3.2555 3.2555 3.2740 3.2740 4.2615 4.2616 4.2679 4.2679 6.4296 6.4296 6.4328 6.4328 6.7630 6.7630 6.7722 6.7722 8.3285 8.3285 k = 0.5000 0.3726 0.0216 ( 9786 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0302 -37.0302 -36.7502 -36.7502 -36.7502 -36.7502 -36.7335 -36.7335 -36.7335 -36.7335 -6.8631 -6.8631 -6.8629 -6.8629 -5.1451 -5.1451 -5.1446 -5.1445 -2.0111 -2.0111 -2.0099 -2.0099 1.8111 1.8111 1.8332 1.8332 2.0195 2.0195 2.0409 2.0409 2.8378 2.8378 2.8465 2.8465 3.2526 3.2526 3.2621 3.2621 4.2656 4.2656 4.2688 4.2688 6.4276 6.4276 6.4293 6.4293 6.7467 6.7467 6.7515 6.7515 8.3223 8.3223 k = 0.5000 0.3726-0.0000 ( 9766 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0302 -37.0302 -36.7502 -36.7502 -36.7502 -36.7502 -36.7335 -36.7335 -36.7335 -36.7335 -6.8634 -6.8634 -6.8634 -6.8634 -5.1439 -5.1439 -5.1439 -5.1439 -2.0115 -2.0115 -2.0115 -2.0115 1.8260 1.8260 1.8260 1.8260 2.0292 2.0292 2.0292 2.0292 2.8442 2.8442 2.8442 2.8442 3.2548 3.2548 3.2548 3.2548 4.2681 4.2681 4.2681 4.2681 6.4277 6.4277 6.4277 6.4277 6.7428 6.7428 6.7428 6.7428 8.3216 8.3216 k = 0.0000 0.0000 0.8368 ( 9724 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0301 -37.0301 -36.7502 -36.7502 -36.7501 -36.7501 -36.7334 -36.7334 -36.7334 -36.7334 -6.6621 -6.6621 -6.6598 -6.6598 -5.3868 -5.3868 -5.3800 -5.3800 -2.1180 -2.1180 -2.1089 -2.1089 0.7912 0.7912 0.8065 0.8065 1.8750 1.8750 1.8824 1.8824 3.3718 3.3718 3.4121 3.4121 4.1304 4.1304 4.1750 4.1750 4.5642 4.5642 4.5889 4.5889 6.3501 6.3501 6.3917 6.3917 8.3488 8.3488 8.3502 8.3502 9.0509 9.0509 k = 0.0167 0.0124 0.8368 ( 9728 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0301 -37.0301 -36.7502 -36.7502 -36.7501 -36.7501 -36.7335 -36.7335 -36.7334 -36.7334 -6.6621 -6.6620 -6.6600 -6.6597 -5.3873 -5.3864 -5.3801 -5.3799 -2.1179 -2.1175 -2.1093 -2.1080 0.7871 0.7880 0.8012 0.8043 1.8800 1.8831 1.8864 1.8919 3.3680 3.3702 3.4067 3.4122 4.1288 4.1323 4.1750 4.1754 4.5541 4.5671 4.5849 4.5858 6.3524 6.3577 6.3952 6.3980 8.3461 8.3471 8.3479 8.3490 9.0510 9.0529 k = 0.0333 0.0248 0.8368 ( 9732 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0301 -37.0301 -36.7502 -36.7502 -36.7501 -36.7501 -36.7335 -36.7335 -36.7334 -36.7334 -6.6622 -6.6620 -6.6602 -6.6595 -5.3878 -5.3860 -5.3803 -5.3799 -2.1172 -2.1165 -2.1092 -2.1065 0.7761 0.7778 0.7888 0.7948 1.8978 1.9035 1.9038 1.9144 3.3588 3.3633 3.3962 3.4070 4.1276 4.1345 4.1754 4.1761 4.5373 4.5627 4.5740 4.5758 6.3646 6.3750 6.4083 6.4139 8.3398 8.3399 8.3433 8.3436 9.0532 9.0571 k = 0.0500 0.0373 0.8368 ( 9738 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0301 -37.0301 -36.7502 -36.7502 -36.7501 -36.7501 -36.7335 -36.7335 -36.7335 -36.7334 -6.6622 -6.6619 -6.6603 -6.6593 -5.3884 -5.3857 -5.3806 -5.3800 -2.1160 -2.1149 -2.1085 -2.1045 0.7592 0.7616 0.7705 0.7789 1.9273 1.9329 1.9362 1.9487 3.3442 3.3508 3.3804 3.3962 4.1268 4.1372 4.1762 4.1772 4.5145 4.5518 4.5570 4.5595 6.3859 6.4009 6.4303 6.4387 8.3284 8.3298 8.3340 8.3349 9.0580 9.0635 k = 0.0667 0.0497 0.8368 ( 9750 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0301 -37.0301 -36.7502 -36.7502 -36.7501 -36.7501 -36.7335 -36.7335 -36.7335 -36.7335 -6.6622 -6.6618 -6.6604 -6.6591 -5.3890 -5.3854 -5.3809 -5.3802 -2.1143 -2.1129 -2.1073 -2.1020 0.7378 0.7406 0.7476 0.7581 1.9671 1.9732 1.9789 1.9934 3.3241 3.3327 3.3593 3.3797 4.1265 4.1402 4.1773 4.1787 4.4870 4.5349 4.5353 4.5381 6.4152 6.4344 6.4602 6.4712 8.3128 8.3161 8.3203 8.3229 9.0654 9.0724 k = 0.0833 0.0621 0.8368 ( 9742 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0301 -37.0301 -36.7502 -36.7502 -36.7501 -36.7501 -36.7335 -36.7335 -36.7335 -36.7335 -6.6621 -6.6617 -6.6605 -6.6589 -5.3896 -5.3852 -5.3813 -5.3804 -2.1122 -2.1104 -2.1058 -2.0992 0.7133 0.7164 0.7218 0.7339 2.0158 2.0226 2.0303 2.0469 3.2983 3.3088 3.3329 3.3572 4.1267 4.1438 4.1790 4.1807 4.4564 4.5089 4.5128 4.5144 6.4512 6.4740 6.4964 6.5101 8.2932 8.2988 8.3027 8.3072 9.0759 9.0840 k = 0.1000 0.0745 0.8368 ( 9750 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0301 -37.0301 -36.7502 -36.7502 -36.7501 -36.7501 -36.7335 -36.7335 -36.7335 -36.7335 -6.6621 -6.6615 -6.6606 -6.6587 -5.3902 -5.3850 -5.3816 -5.3806 -2.1098 -2.1077 -2.1039 -2.0962 0.6872 0.6904 0.6945 0.7078 2.0716 2.0797 2.0889 2.1077 3.2667 3.2791 3.3012 3.3286 4.1274 4.1478 4.1811 4.1832 4.4240 4.4804 4.4849 4.4905 6.4923 6.5181 6.5375 6.5537 8.2700 8.2782 8.2815 8.2880 9.0898 9.0986 k = 0.1167 0.0869 0.8368 ( 9734 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0301 -37.0301 -36.7502 -36.7502 -36.7501 -36.7501 -36.7335 -36.7335 -36.7335 -36.7334 -6.6620 -6.6614 -6.6607 -6.6585 -5.3909 -5.3849 -5.3820 -5.3809 -2.1071 -2.1048 -2.1019 -2.0930 0.6608 0.6640 0.6670 0.6812 2.1330 2.1430 2.1533 2.1742 3.2293 3.2434 3.2642 3.2935 4.1289 4.1525 4.1839 4.1863 4.3913 4.4507 4.4558 4.4650 6.5366 6.5650 6.5817 6.6004 8.2437 8.2547 8.2573 8.2658 9.1072 9.1165 k = 0.1333 0.0993 0.8368 ( 9740 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0301 -37.0301 -36.7502 -36.7502 -36.7501 -36.7501 -36.7335 -36.7335 -36.7335 -36.7335 -6.6619 -6.6613 -6.6608 -6.6583 -5.3914 -5.3848 -5.3824 -5.3813 -2.1043 -2.1019 -2.0997 -2.0897 0.6353 0.6384 0.6405 0.6552 2.1987 2.2111 2.2223 2.2453 3.1861 3.2018 3.2221 3.2520 4.1311 4.1579 4.1871 4.1900 4.3596 4.4208 4.4264 4.4390 6.5824 6.6130 6.6272 6.6484 8.2152 8.2290 8.2309 8.2414 9.1282 9.1379 k = 0.1500 0.1118 0.8368 ( 9736 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0302 -37.0301 -37.0301 -36.7502 -36.7502 -36.7501 -36.7501 -36.7335 -36.7335 -36.7335 -36.7334 -6.6619 -6.6612 -6.6609 -6.6581 -5.3920 -5.3846 -5.3828 -5.3816 -2.1016 -2.0990 -2.0976 -2.0866 0.6115 0.6145 0.6158 0.6310 2.2673 2.2829 2.2947 2.3199 3.1373 3.1544 3.1754 3.2043 4.1343 4.1641 4.1909 4.1943 4.3300 4.3919 4.3978 4.4136 6.6279 6.6603 6.6722 6.6959 8.1857 8.2022 8.2034 8.2156 9.1529 9.1626 k = 0.1667 0.1242 0.8368 ( 9728 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0301 -37.0301 -37.0301 -36.7502 -36.7502 -36.7501 -36.7501 -36.7334 -36.7334 -36.7334 -36.7334 -6.6618 -6.6611 -6.6609 -6.6580 -5.3925 -5.3845 -5.3832 -5.3820 -2.0989 -2.0963 -2.0956 -2.0836 0.5902 0.5930 0.5937 0.6093 2.3373 2.3573 2.3694 2.3968 3.0833 3.1017 3.1247 3.1506 4.1385 4.1709 4.1949 4.1991 4.3035 4.3646 4.3707 4.3897 6.6710 6.7051 6.7149 6.7410 8.1564 8.1754 8.1760 8.1898 9.1811 9.1908 k = 0.1833 0.1366 0.8368 ( 9726 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0301 -37.0301 -37.0300 -36.7502 -36.7502 -36.7501 -36.7501 -36.7334 -36.7334 -36.7334 -36.7334 -6.6617 -6.6610 -6.6610 -6.6579 -5.3929 -5.3844 -5.3835 -5.3824 -2.0965 -2.0939 -2.0938 -2.0811 0.5721 0.5746 0.5748 0.5907 2.4070 2.4334 2.4456 2.4750 3.0243 3.0442 3.0712 3.0915 4.1439 4.1785 4.1984 4.2045 4.2816 4.3397 4.3457 4.3680 6.7098 6.7455 6.7533 6.7818 8.1289 8.1502 8.1504 8.1655 9.2124 9.2211 k = 0.2000 0.1490 0.8368 ( 9712 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0301 -37.0301 -37.0300 -36.7502 -36.7501 -36.7501 -36.7500 -36.7334 -36.7334 -36.7334 -36.7334 -6.6616 -6.6611 -6.6609 -6.6578 -5.3933 -5.3842 -5.3838 -5.3827 -2.0945 -2.0924 -2.0919 -2.0789 0.5576 0.5596 0.5598 0.5757 2.4741 2.5101 2.5220 2.5532 2.9611 2.9828 3.0170 3.0279 4.1505 4.1865 4.1997 4.2100 4.2661 4.3178 4.3230 4.3495 6.7426 6.7797 6.7855 6.8163 8.1049 8.1281 8.1281 8.1443 9.2463 9.2481 k = 0.2167 0.1614 0.8368 ( 9716 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0301 -37.0301 -37.0300 -36.7502 -36.7501 -36.7501 -36.7501 -36.7334 -36.7334 -36.7334 -36.7334 -6.6615 -6.6612 -6.6609 -6.6577 -5.3935 -5.3841 -5.3839 -5.3831 -2.0928 -2.0915 -2.0904 -2.0774 0.5471 0.5484 0.5490 0.5648 2.5345 2.5863 2.5971 2.6292 2.8947 2.9196 2.9612 2.9659 4.1585 4.1943 4.1963 4.2151 4.2597 4.3000 4.3030 4.3348 6.7675 6.8059 6.8098 6.8426 8.0863 8.1108 8.1109 8.1277 9.2757 9.2818 k = 0.2333 0.1739 0.8368 ( 9716 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0301 -37.0301 -37.0300 -36.7502 -36.7501 -36.7501 -36.7500 -36.7334 -36.7334 -36.7334 -36.7334 -6.6614 -6.6612 -6.6608 -6.6576 -5.3937 -5.3841 -5.3839 -5.3834 -2.0917 -2.0910 -2.0895 -2.0764 0.5408 0.5414 0.5424 0.5581 2.5803 2.6590 2.6674 2.6960 2.8279 2.8616 2.8949 2.9257 4.1677 4.1882 4.2006 4.2189 4.2626 4.2859 4.2876 4.3253 6.7831 6.8227 6.8247 6.8591 8.0743 8.0998 8.0999 8.1171 9.2999 9.3162 k = 0.2500 0.1863 0.8368 ( 9716 PWs) bands (ev): -70.0871 -70.0871 -70.0871 -70.0871 -37.0302 -37.0301 -37.0301 -37.0300 -36.7502 -36.7501 -36.7501 -36.7501 -36.7334 -36.7334 -36.7334 -36.7334 -6.6613 -6.6613 -6.6608 -6.6576 -5.3937 -5.3841 -5.3836 -5.3836 -2.0911 -2.0911 -2.0892 -2.0760 0.5389 0.5389 0.5402 0.5558 2.5984 2.7057 2.7172 2.7172 2.7832 2.8449 2.8449 2.9094 4.1779 4.1779 4.2031 4.2203 4.2720 4.2721 4.2830 4.3219 6.7884 6.8291 6.8291 6.8648 8.0702 8.0960 8.0960 8.1134 9.3108 9.3355 Writing output data file MgGeAs2.save init_run : 2.31s CPU 10.17s WALL ( 1 calls) electrons : 1113.40s CPU 1127.00s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.19s WALL ( 1 calls) potinit : 0.63s CPU 1.60s WALL ( 1 calls) Called by electrons: c_bands : 1113.39s CPU 1126.52s WALL ( 1 calls) v_of_rho : 0.39s CPU 1.02s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.37s CPU 0.64s WALL ( 1 calls) newd : 0.17s CPU 0.41s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.17s WALL ( 270 calls) cegterg : 1038.25s CPU 1046.89s WALL ( 726 calls) Called by sum_band: Called by *egterg: h_psi : 583.94s CPU 592.92s WALL ( 12436 calls) s_psi : 25.01s CPU 25.29s WALL ( 12436 calls) g_psi : 1.50s CPU 1.58s WALL ( 11440 calls) cdiaghg : 278.00s CPU 275.50s WALL ( 11710 calls) cegterg:over : 89.11s CPU 86.88s WALL ( 11440 calls) cegterg:upda : 32.89s CPU 36.52s WALL ( 11440 calls) cegterg:last : 24.10s CPU 24.78s WALL ( 1821 calls) Called by h_psi: h_psi:vloc : 517.12s CPU 523.87s WALL ( 12436 calls) h_psi:vnl : 66.02s CPU 67.52s WALL ( 12436 calls) add_vuspsi : 19.71s CPU 22.98s WALL ( 12436 calls) General routines calbec : 46.25s CPU 44.38s WALL ( 12436 calls) fft : 0.28s CPU 1.18s WALL ( 19 calls) ffts : 0.09s CPU 0.09s WALL ( 4 calls) fftw : 480.33s CPU 485.59s WALL ( 1236048 calls) interpolate : 0.12s CPU 0.13s WALL ( 4 calls) davcio : 0.04s CPU 4.07s WALL ( 540 calls) Parallel routines fft_scatter : 231.10s CPU 232.22s WALL ( 1236071 calls) PWSCF : 19m54.10s CPU 23m13.20s WALL This run was terminated on: 15: 8:51 12Jun2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=