Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:51:19 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./CaN2.save/ file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 38 21 6 694 295 49 Max 39 22 7 696 307 53 Sum 1379 777 239 25017 10773 1825 bravais-lattice index = 14 lattice parameter (alat) = 7.4019 a.u. unit-cell volume = 258.0213 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 20.00 number of Kohn-Sham states= 28 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 321.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.401934 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.583568 celldm(5)= -0.583568 celldm(6)= 0.167136 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.167136 0.985934 0.000000 ) a(3) = ( -0.583568 -0.492967 0.645316 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.169520 0.774815 ) b(2) = ( 0.000000 1.014267 0.774815 ) b(3) = ( 0.000000 0.000000 1.549629 ) PseudoPot. # 1 for Ca read from file: /users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef 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 1169 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ca 10.00 40.07800 Ca( 1.00) N 5.00 14.00670 N( 1.00) 4 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 1 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 445 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022472 k( 2) = ( 0.0000000 0.0000000 0.0122986), wk = 0.0022472 k( 3) = ( 0.0000000 0.0000000 0.0245973), wk = 0.0022472 k( 4) = ( 0.0000000 0.0000000 0.0368959), wk = 0.0022472 k( 5) = ( 0.0000000 0.0000000 0.0491946), wk = 0.0022472 k( 6) = ( 0.0000000 0.0000000 0.0614932), wk = 0.0022472 k( 7) = ( 0.0000000 0.0000000 0.0737919), wk = 0.0022472 k( 8) = ( 0.0000000 0.0000000 0.0860905), wk = 0.0022472 k( 9) = ( 0.0000000 0.0000000 0.0983892), wk = 0.0022472 k( 10) = ( 0.0000000 0.0000000 0.1106878), wk = 0.0022472 k( 11) = ( 0.0000000 0.0000000 0.1229865), wk = 0.0022472 k( 12) = ( 0.0000000 0.0000000 0.1352851), wk = 0.0022472 k( 13) = ( 0.0000000 0.0000000 0.1475838), wk = 0.0022472 k( 14) = ( 0.0000000 0.0000000 0.1598824), wk = 0.0022472 k( 15) = ( 0.0000000 0.0000000 0.1721811), wk = 0.0022472 k( 16) = ( 0.0000000 0.0000000 0.1844797), wk = 0.0022472 k( 17) = ( 0.0000000 0.0000000 0.1967784), wk = 0.0022472 k( 18) = ( 0.0000000 0.0000000 0.2090770), wk = 0.0022472 k( 19) = ( 0.0000000 0.0000000 0.2213756), wk = 0.0022472 k( 20) = ( 0.0000000 0.0000000 0.2336743), wk = 0.0022472 k( 21) = ( 0.0000000 0.0000000 0.2459729), wk = 0.0022472 k( 22) = ( 0.0000000 0.0000000 0.2582716), wk = 0.0022472 k( 23) = ( 0.0000000 0.0000000 0.2705702), wk = 0.0022472 k( 24) = ( 0.0000000 0.0000000 0.2828689), wk = 0.0022472 k( 25) = ( 0.0000000 0.0000000 0.2951675), wk = 0.0022472 k( 26) = ( 0.0000000 0.0000000 0.3074662), wk = 0.0022472 k( 27) = ( 0.0000000 0.0000000 0.3197648), wk = 0.0022472 k( 28) = ( 0.0000000 0.0000000 0.3320635), wk = 0.0022472 k( 29) = ( 0.0000000 0.0000000 0.3443621), wk = 0.0022472 k( 30) = ( 0.0000000 0.0000000 0.3566608), wk = 0.0022472 k( 31) = ( 0.0000000 0.0000000 0.3689594), wk = 0.0022472 k( 32) = ( 0.0000000 0.0000000 0.3812581), wk = 0.0022472 k( 33) = ( 0.0000000 0.0000000 0.3935567), wk = 0.0022472 k( 34) = ( 0.0000000 0.0000000 0.4058553), wk = 0.0022472 k( 35) = ( 0.0000000 0.0000000 0.4181540), wk = 0.0022472 k( 36) = ( 0.0000000 0.0000000 0.4304526), wk = 0.0022472 k( 37) = ( 0.0000000 0.0000000 0.4427513), wk = 0.0022472 k( 38) = ( 0.0000000 0.0000000 0.4550499), wk = 0.0022472 k( 39) = ( 0.0000000 0.0000000 0.4673486), wk = 0.0022472 k( 40) = ( 0.0000000 0.0000000 0.4796472), wk = 0.0022472 k( 41) = ( 0.0000000 0.0000000 0.4919459), wk = 0.0022472 k( 42) = ( 0.0000000 0.0000000 0.5042445), wk = 0.0022472 k( 43) = ( 0.0000000 0.0000000 0.5165432), wk = 0.0022472 k( 44) = ( 0.0000000 0.0000000 0.5288418), wk = 0.0022472 k( 45) = ( 0.0000000 0.0000000 0.5411405), wk = 0.0022472 k( 46) = ( 0.0000000 0.0000000 0.5534391), wk = 0.0022472 k( 47) = ( 0.0000000 0.0000000 0.5657378), wk = 0.0022472 k( 48) = ( 0.0000000 0.0000000 0.5780364), wk = 0.0022472 k( 49) = ( 0.0000000 0.0000000 0.5903350), wk = 0.0022472 k( 50) = ( 0.0000000 0.0000000 0.6026337), wk = 0.0022472 k( 51) = ( 0.0000000 0.0000000 0.6149323), wk = 0.0022472 k( 52) = ( 0.0000000 0.0000000 0.6272310), wk = 0.0022472 k( 53) = ( 0.0000000 0.0000000 0.6395296), wk = 0.0022472 k( 54) = ( 0.0000000 0.0000000 0.6518283), wk = 0.0022472 k( 55) = ( 0.0000000 0.0000000 0.6641269), wk = 0.0022472 k( 56) = ( 0.0000000 0.0000000 0.6764256), wk = 0.0022472 k( 57) = ( 0.0000000 0.0000000 0.6887242), wk = 0.0022472 k( 58) = ( 0.0000000 0.0000000 0.7010229), wk = 0.0022472 k( 59) = ( 0.0000000 0.0000000 0.7133215), wk = 0.0022472 k( 60) = ( 0.0000000 0.0000000 0.7256202), wk = 0.0022472 k( 61) = ( 0.0000000 0.0000000 0.7379188), wk = 0.0022472 k( 62) = ( 0.0000000 0.0000000 0.7502174), wk = 0.0022472 k( 63) = ( 0.0000000 0.0000000 0.7625161), wk = 0.0022472 k( 64) = ( 0.0000000 0.0000000 0.7748147), wk = 0.0022472 k( 65) = ( 0.0000000 0.0000000 0.7748147), wk = 0.0022472 k( 66) = ( -0.0077565 0.0091820 0.7748147), wk = 0.0022472 k( 67) = ( -0.0155130 0.0183641 0.7748147), wk = 0.0022472 k( 68) = ( -0.0232695 0.0275461 0.7748147), wk = 0.0022472 k( 69) = ( -0.0310260 0.0367281 0.7748147), wk = 0.0022472 k( 70) = ( -0.0387824 0.0459101 0.7748147), wk = 0.0022472 k( 71) = ( -0.0465389 0.0550922 0.7748147), wk = 0.0022472 k( 72) = ( -0.0542954 0.0642742 0.7748147), wk = 0.0022472 k( 73) = ( -0.0620519 0.0734562 0.7748147), wk = 0.0022472 k( 74) = ( -0.0698084 0.0826383 0.7748147), wk = 0.0022472 k( 75) = ( -0.0775649 0.0918203 0.7748147), wk = 0.0022472 k( 76) = ( -0.0853214 0.1010023 0.7748147), wk = 0.0022472 k( 77) = ( -0.0930779 0.1101843 0.7748147), wk = 0.0022472 k( 78) = ( -0.1008343 0.1193664 0.7748147), wk = 0.0022472 k( 79) = ( -0.1085908 0.1285484 0.7748147), wk = 0.0022472 k( 80) = ( -0.1163473 0.1377304 0.7748147), wk = 0.0022472 k( 81) = ( -0.1241038 0.1469125 0.7748147), wk = 0.0022472 k( 82) = ( -0.1318603 0.1560945 0.7748147), wk = 0.0022472 k( 83) = ( -0.1396168 0.1652765 0.7748147), wk = 0.0022472 k( 84) = ( -0.1473733 0.1744585 0.7748147), wk = 0.0022472 k( 85) = ( -0.1551298 0.1836406 0.7748147), wk = 0.0022472 k( 86) = ( -0.1628862 0.1928226 0.7748147), wk = 0.0022472 k( 87) = ( -0.1706427 0.2020046 0.7748147), wk = 0.0022472 k( 88) = ( -0.1783992 0.2111867 0.7748147), wk = 0.0022472 k( 89) = ( -0.1783992 0.2111867 0.7748147), wk = 0.0022472 k( 90) = ( -0.1839440 0.2177506 0.7662223), wk = 0.0022472 k( 91) = ( -0.1894889 0.2243145 0.7576298), wk = 0.0022472 k( 92) = ( -0.1950337 0.2308784 0.7490374), wk = 0.0022472 k( 93) = ( -0.2005786 0.2374423 0.7404449), wk = 0.0022472 k( 94) = ( -0.2061234 0.2440062 0.7318525), wk = 0.0022472 k( 95) = ( -0.2116683 0.2505701 0.7232600), wk = 0.0022472 k( 96) = ( -0.2172131 0.2571340 0.7146676), wk = 0.0022472 k( 97) = ( -0.2227579 0.2636979 0.7060751), wk = 0.0022472 k( 98) = ( -0.2283028 0.2702618 0.6974827), wk = 0.0022472 k( 99) = ( -0.2338476 0.2768258 0.6888902), wk = 0.0022472 k( 100) = ( -0.2393925 0.2833897 0.6802978), wk = 0.0022472 k( 101) = ( -0.2449373 0.2899536 0.6717054), wk = 0.0022472 k( 102) = ( -0.2504821 0.2965175 0.6631129), wk = 0.0022472 k( 103) = ( -0.2560270 0.3030814 0.6545204), wk = 0.0022472 k( 104) = ( -0.2615718 0.3096453 0.6459280), wk = 0.0022472 k( 105) = ( -0.2671167 0.3162092 0.6373355), wk = 0.0022472 k( 106) = ( -0.2726615 0.3227731 0.6287431), wk = 0.0022472 k( 107) = ( -0.2782063 0.3293370 0.6201507), wk = 0.0022472 k( 108) = ( -0.2837512 0.3359010 0.6115582), wk = 0.0022472 k( 109) = ( -0.2892960 0.3424649 0.6029658), wk = 0.0022472 k( 110) = ( -0.2948409 0.3490288 0.5943733), wk = 0.0022472 k( 111) = ( -0.3003857 0.3555927 0.5857808), wk = 0.0022472 k( 112) = ( -0.3059306 0.3621566 0.5771884), wk = 0.0022472 k( 113) = ( -0.3114754 0.3687205 0.5685960), wk = 0.0022472 k( 114) = ( -0.3170202 0.3752844 0.5600035), wk = 0.0022472 k( 115) = ( -0.3225651 0.3818483 0.5514111), wk = 0.0022472 k( 116) = ( -0.3281099 0.3884122 0.5428186), wk = 0.0022472 k( 117) = ( -0.3336548 0.3949761 0.5342262), wk = 0.0022472 k( 118) = ( -0.3391996 0.4015401 0.5256337), wk = 0.0022472 k( 119) = ( -0.3391996 0.4015401 0.5256337), wk = 0.0022472 k( 120) = ( -0.3335463 0.3948477 0.5168731), wk = 0.0022472 k( 121) = ( -0.3278930 0.3881554 0.5081126), wk = 0.0022472 k( 122) = ( -0.3222396 0.3814631 0.4993520), wk = 0.0022472 k( 123) = ( -0.3165863 0.3747707 0.4905915), wk = 0.0022472 k( 124) = ( -0.3109330 0.3680784 0.4818309), wk = 0.0022472 k( 125) = ( -0.3052796 0.3613860 0.4730703), wk = 0.0022472 k( 126) = ( -0.2996263 0.3546937 0.4643098), wk = 0.0022472 k( 127) = ( -0.2939730 0.3480014 0.4555492), wk = 0.0022472 k( 128) = ( -0.2883197 0.3413090 0.4467886), wk = 0.0022472 k( 129) = ( -0.2826663 0.3346167 0.4380281), wk = 0.0022472 k( 130) = ( -0.2770130 0.3279244 0.4292675), wk = 0.0022472 k( 131) = ( -0.2713597 0.3212320 0.4205070), wk = 0.0022472 k( 132) = ( -0.2657064 0.3145397 0.4117464), wk = 0.0022472 k( 133) = ( -0.2600530 0.3078474 0.4029858), wk = 0.0022472 k( 134) = ( -0.2543997 0.3011550 0.3942253), wk = 0.0022472 k( 135) = ( -0.2487464 0.2944627 0.3854647), wk = 0.0022472 k( 136) = ( -0.2430931 0.2877704 0.3767042), wk = 0.0022472 k( 137) = ( -0.2374397 0.2810780 0.3679436), wk = 0.0022472 k( 138) = ( -0.2317864 0.2743857 0.3591830), wk = 0.0022472 k( 139) = ( -0.2261331 0.2676934 0.3504225), wk = 0.0022472 k( 140) = ( -0.2204797 0.2610010 0.3416619), wk = 0.0022472 k( 141) = ( -0.2148264 0.2543087 0.3329014), wk = 0.0022472 k( 142) = ( -0.2091731 0.2476164 0.3241408), wk = 0.0022472 k( 143) = ( -0.2035198 0.2409240 0.3153802), wk = 0.0022472 k( 144) = ( -0.1978664 0.2342317 0.3066197), wk = 0.0022472 k( 145) = ( -0.1922131 0.2275394 0.2978591), wk = 0.0022472 k( 146) = ( -0.1865598 0.2208470 0.2890985), wk = 0.0022472 k( 147) = ( -0.1809065 0.2141547 0.2803380), wk = 0.0022472 k( 148) = ( -0.1752531 0.2074624 0.2715774), wk = 0.0022472 k( 149) = ( -0.1695998 0.2007700 0.2628168), wk = 0.0022472 k( 150) = ( -0.1639465 0.1940777 0.2540563), wk = 0.0022472 k( 151) = ( -0.1582931 0.1873854 0.2452957), wk = 0.0022472 k( 152) = ( -0.1526398 0.1806930 0.2365352), wk = 0.0022472 k( 153) = ( -0.1469865 0.1740007 0.2277746), wk = 0.0022472 k( 154) = ( -0.1413332 0.1673084 0.2190140), wk = 0.0022472 k( 155) = ( -0.1356798 0.1606160 0.2102535), wk = 0.0022472 k( 156) = ( -0.1300265 0.1539237 0.2014929), wk = 0.0022472 k( 157) = ( -0.1243732 0.1472314 0.1927324), wk = 0.0022472 k( 158) = ( -0.1187199 0.1405390 0.1839718), wk = 0.0022472 k( 159) = ( -0.1130665 0.1338467 0.1752112), wk = 0.0022472 k( 160) = ( -0.1074132 0.1271544 0.1664507), wk = 0.0022472 k( 161) = ( -0.1017599 0.1204620 0.1576901), wk = 0.0022472 k( 162) = ( -0.0961065 0.1137697 0.1489295), wk = 0.0022472 k( 163) = ( -0.0904532 0.1070774 0.1401690), wk = 0.0022472 k( 164) = ( -0.0847999 0.1003850 0.1314084), wk = 0.0022472 k( 165) = ( -0.0791466 0.0936927 0.1226479), wk = 0.0022472 k( 166) = ( -0.0734932 0.0870003 0.1138873), wk = 0.0022472 k( 167) = ( -0.0678399 0.0803080 0.1051267), wk = 0.0022472 k( 168) = ( -0.0621866 0.0736157 0.0963662), wk = 0.0022472 k( 169) = ( -0.0565333 0.0669233 0.0876056), wk = 0.0022472 k( 170) = ( -0.0508799 0.0602310 0.0788451), wk = 0.0022472 k( 171) = ( -0.0452266 0.0535387 0.0700845), wk = 0.0022472 k( 172) = ( -0.0395733 0.0468463 0.0613239), wk = 0.0022472 k( 173) = ( -0.0339200 0.0401540 0.0525634), wk = 0.0022472 k( 174) = ( -0.0282666 0.0334617 0.0438028), wk = 0.0022472 k( 175) = ( -0.0226133 0.0267693 0.0350423), wk = 0.0022472 k( 176) = ( -0.0169600 0.0200770 0.0262817), wk = 0.0022472 k( 177) = ( -0.0113066 0.0133847 0.0175211), wk = 0.0022472 k( 178) = ( -0.0056533 0.0066923 0.0087606), wk = 0.0022472 k( 179) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022472 k( 180) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022472 k( 181) = ( 0.0094340 0.0079693 0.0000000), wk = 0.0022472 k( 182) = ( 0.0188679 0.0159386 0.0000000), wk = 0.0022472 k( 183) = ( 0.0283019 0.0239079 0.0000000), wk = 0.0022472 k( 184) = ( 0.0377359 0.0318772 0.0000000), wk = 0.0022472 k( 185) = ( 0.0471698 0.0398465 0.0000000), wk = 0.0022472 k( 186) = ( 0.0566038 0.0478158 0.0000000), wk = 0.0022472 k( 187) = ( 0.0660377 0.0557852 0.0000000), wk = 0.0022472 k( 188) = ( 0.0754717 0.0637545 0.0000000), wk = 0.0022472 k( 189) = ( 0.0849057 0.0717238 0.0000000), wk = 0.0022472 k( 190) = ( 0.0943396 0.0796931 0.0000000), wk = 0.0022472 k( 191) = ( 0.1037736 0.0876624 0.0000000), wk = 0.0022472 k( 192) = ( 0.1132076 0.0956317 0.0000000), wk = 0.0022472 k( 193) = ( 0.1226415 0.1036010 0.0000000), wk = 0.0022472 k( 194) = ( 0.1320755 0.1115703 0.0000000), wk = 0.0022472 k( 195) = ( 0.1415094 0.1195396 0.0000000), wk = 0.0022472 k( 196) = ( 0.1509434 0.1275089 0.0000000), wk = 0.0022472 k( 197) = ( 0.1603774 0.1354782 0.0000000), wk = 0.0022472 k( 198) = ( 0.1698113 0.1434475 0.0000000), wk = 0.0022472 k( 199) = ( 0.1792453 0.1514168 0.0000000), wk = 0.0022472 k( 200) = ( 0.1886792 0.1593862 0.0000000), wk = 0.0022472 k( 201) = ( 0.1981132 0.1673555 0.0000000), wk = 0.0022472 k( 202) = ( 0.2075472 0.1753248 0.0000000), wk = 0.0022472 k( 203) = ( 0.2169811 0.1832941 0.0000000), wk = 0.0022472 k( 204) = ( 0.2264151 0.1912634 0.0000000), wk = 0.0022472 k( 205) = ( 0.2358491 0.1992327 0.0000000), wk = 0.0022472 k( 206) = ( 0.2452830 0.2072020 0.0000000), wk = 0.0022472 k( 207) = ( 0.2547170 0.2151713 0.0000000), wk = 0.0022472 k( 208) = ( 0.2641509 0.2231406 0.0000000), wk = 0.0022472 k( 209) = ( 0.2735849 0.2311099 0.0000000), wk = 0.0022472 k( 210) = ( 0.2830189 0.2390792 0.0000000), wk = 0.0022472 k( 211) = ( 0.2924528 0.2470485 0.0000000), wk = 0.0022472 k( 212) = ( 0.3018868 0.2550178 0.0000000), wk = 0.0022472 k( 213) = ( 0.3113207 0.2629871 0.0000000), wk = 0.0022472 k( 214) = ( 0.3207547 0.2709565 0.0000000), wk = 0.0022472 k( 215) = ( 0.3301887 0.2789258 0.0000000), wk = 0.0022472 k( 216) = ( 0.3396226 0.2868951 0.0000000), wk = 0.0022472 k( 217) = ( 0.3490566 0.2948644 0.0000000), wk = 0.0022472 k( 218) = ( 0.3584906 0.3028337 0.0000000), wk = 0.0022472 k( 219) = ( 0.3679245 0.3108030 0.0000000), wk = 0.0022472 k( 220) = ( 0.3773585 0.3187723 0.0000000), wk = 0.0022472 k( 221) = ( 0.3867925 0.3267416 0.0000000), wk = 0.0022472 k( 222) = ( 0.3962264 0.3347109 0.0000000), wk = 0.0022472 k( 223) = ( 0.4056604 0.3426802 0.0000000), wk = 0.0022472 k( 224) = ( 0.4150943 0.3506495 0.0000000), wk = 0.0022472 k( 225) = ( 0.4245283 0.3586188 0.0000000), wk = 0.0022472 k( 226) = ( 0.4339623 0.3665881 0.0000000), wk = 0.0022472 k( 227) = ( 0.4433962 0.3745575 0.0000000), wk = 0.0022472 k( 228) = ( 0.4528302 0.3825268 0.0000000), wk = 0.0022472 k( 229) = ( 0.4622641 0.3904961 0.0000000), wk = 0.0022472 k( 230) = ( 0.4716981 0.3984654 0.0000000), wk = 0.0022472 k( 231) = ( 0.4811321 0.4064347 0.0000000), wk = 0.0022472 k( 232) = ( 0.4905660 0.4144040 0.0000000), wk = 0.0022472 k( 233) = ( 0.5000000 0.4223733 0.0000000), wk = 0.0022472 k( 234) = ( 0.5000000 0.4223733 0.0000000), wk = 0.0022472 k( 235) = ( 0.4944552 0.4289372 0.0085924), wk = 0.0022472 k( 236) = ( 0.4889103 0.4355011 0.0171849), wk = 0.0022472 k( 237) = ( 0.4833655 0.4420650 0.0257773), wk = 0.0022472 k( 238) = ( 0.4778206 0.4486289 0.0343698), wk = 0.0022472 k( 239) = ( 0.4722758 0.4551929 0.0429623), wk = 0.0022472 k( 240) = ( 0.4667309 0.4617568 0.0515547), wk = 0.0022472 k( 241) = ( 0.4611861 0.4683207 0.0601471), wk = 0.0022472 k( 242) = ( 0.4556413 0.4748846 0.0687396), wk = 0.0022472 k( 243) = ( 0.4500964 0.4814485 0.0773320), wk = 0.0022472 k( 244) = ( 0.4445516 0.4880124 0.0859245), wk = 0.0022472 k( 245) = ( 0.4390068 0.4945763 0.0945169), wk = 0.0022472 k( 246) = ( 0.4334619 0.5011402 0.1031094), wk = 0.0022472 k( 247) = ( 0.4279171 0.5077041 0.1117018), wk = 0.0022472 k( 248) = ( 0.4223722 0.5142681 0.1202943), wk = 0.0022472 k( 249) = ( 0.4168274 0.5208320 0.1288867), wk = 0.0022472 k( 250) = ( 0.4112825 0.5273959 0.1374792), wk = 0.0022472 k( 251) = ( 0.4057377 0.5339598 0.1460716), wk = 0.0022472 k( 252) = ( 0.4001929 0.5405237 0.1546641), wk = 0.0022472 k( 253) = ( 0.3946480 0.5470876 0.1632565), wk = 0.0022472 k( 254) = ( 0.3891032 0.5536515 0.1718490), wk = 0.0022472 k( 255) = ( 0.3835583 0.5602154 0.1804414), wk = 0.0022472 k( 256) = ( 0.3780135 0.5667793 0.1890339), wk = 0.0022472 k( 257) = ( 0.3724687 0.5733433 0.1976263), wk = 0.0022472 k( 258) = ( 0.3669238 0.5799072 0.2062188), wk = 0.0022472 k( 259) = ( 0.3613790 0.5864711 0.2148112), wk = 0.0022472 k( 260) = ( 0.3558341 0.5930350 0.2234037), wk = 0.0022472 k( 261) = ( 0.3502893 0.5995989 0.2319961), wk = 0.0022472 k( 262) = ( 0.3447444 0.6061628 0.2405886), wk = 0.0022472 k( 263) = ( 0.3391996 0.6127267 0.2491810), wk = 0.0022472 k( 264) = ( 0.3391996 0.6127267 0.2491810), wk = 0.0022472 k( 265) = ( 0.3282577 0.6093205 0.2536400), wk = 0.0022472 k( 266) = ( 0.3173158 0.6059142 0.2580989), wk = 0.0022472 k( 267) = ( 0.3063738 0.6025080 0.2625578), wk = 0.0022472 k( 268) = ( 0.2954319 0.5991018 0.2670167), wk = 0.0022472 k( 269) = ( 0.2844900 0.5956955 0.2714756), wk = 0.0022472 k( 270) = ( 0.2735481 0.5922893 0.2759345), wk = 0.0022472 k( 271) = ( 0.2626061 0.5888831 0.2803934), wk = 0.0022472 k( 272) = ( 0.2516642 0.5854768 0.2848523), wk = 0.0022472 k( 273) = ( 0.2407223 0.5820706 0.2893113), wk = 0.0022472 k( 274) = ( 0.2297804 0.5786643 0.2937702), wk = 0.0022472 k( 275) = ( 0.2188384 0.5752581 0.2982291), wk = 0.0022472 k( 276) = ( 0.2078965 0.5718519 0.3026880), wk = 0.0022472 k( 277) = ( 0.1969546 0.5684456 0.3071469), wk = 0.0022472 k( 278) = ( 0.1860127 0.5650394 0.3116058), wk = 0.0022472 k( 279) = ( 0.1750708 0.5616332 0.3160647), wk = 0.0022472 k( 280) = ( 0.1641288 0.5582269 0.3205237), wk = 0.0022472 k( 281) = ( 0.1531869 0.5548207 0.3249826), wk = 0.0022472 k( 282) = ( 0.1422450 0.5514145 0.3294415), wk = 0.0022472 k( 283) = ( 0.1313031 0.5480082 0.3339004), wk = 0.0022472 k( 284) = ( 0.1203612 0.5446020 0.3383593), wk = 0.0022472 k( 285) = ( 0.1094192 0.5411958 0.3428182), wk = 0.0022472 k( 286) = ( 0.0984773 0.5377895 0.3472771), wk = 0.0022472 k( 287) = ( 0.0875354 0.5343833 0.3517361), wk = 0.0022472 k( 288) = ( 0.0765935 0.5309770 0.3561950), wk = 0.0022472 k( 289) = ( 0.0656515 0.5275708 0.3606539), wk = 0.0022472 k( 290) = ( 0.0547096 0.5241646 0.3651128), wk = 0.0022472 k( 291) = ( 0.0437677 0.5207583 0.3695717), wk = 0.0022472 k( 292) = ( 0.0328258 0.5173521 0.3740306), wk = 0.0022472 k( 293) = ( 0.0218838 0.5139459 0.3784895), wk = 0.0022472 k( 294) = ( 0.0109419 0.5105396 0.3829485), wk = 0.0022472 k( 295) = ( 0.0000000 0.5071334 0.3874074), wk = 0.0022472 k( 296) = ( 0.0000000 0.5071334 0.3874074), wk = 0.0022472 k( 297) = ( 0.0056818 0.5004073 0.3962121), wk = 0.0022472 k( 298) = ( 0.0113636 0.4936813 0.4050168), wk = 0.0022472 k( 299) = ( 0.0170455 0.4869552 0.4138215), wk = 0.0022472 k( 300) = ( 0.0227273 0.4802291 0.4226262), wk = 0.0022472 k( 301) = ( 0.0284091 0.4735031 0.4314309), wk = 0.0022472 k( 302) = ( 0.0340909 0.4667770 0.4402356), wk = 0.0022472 k( 303) = ( 0.0397727 0.4600509 0.4490404), wk = 0.0022472 k( 304) = ( 0.0454546 0.4533249 0.4578451), wk = 0.0022472 k( 305) = ( 0.0511364 0.4465988 0.4666498), wk = 0.0022472 k( 306) = ( 0.0568182 0.4398728 0.4754545), wk = 0.0022472 k( 307) = ( 0.0625000 0.4331467 0.4842592), wk = 0.0022472 k( 308) = ( 0.0681818 0.4264206 0.4930639), wk = 0.0022472 k( 309) = ( 0.0738636 0.4196946 0.5018686), wk = 0.0022472 k( 310) = ( 0.0795455 0.4129685 0.5106733), wk = 0.0022472 k( 311) = ( 0.0852273 0.4062425 0.5194781), wk = 0.0022472 k( 312) = ( 0.0909091 0.3995164 0.5282828), wk = 0.0022472 k( 313) = ( 0.0965909 0.3927903 0.5370875), wk = 0.0022472 k( 314) = ( 0.1022727 0.3860643 0.5458922), wk = 0.0022472 k( 315) = ( 0.1079545 0.3793382 0.5546969), wk = 0.0022472 k( 316) = ( 0.1136364 0.3726121 0.5635016), wk = 0.0022472 k( 317) = ( 0.1193182 0.3658861 0.5723063), wk = 0.0022472 k( 318) = ( 0.1250000 0.3591600 0.5811111), wk = 0.0022472 k( 319) = ( 0.1306818 0.3524340 0.5899158), wk = 0.0022472 k( 320) = ( 0.1363636 0.3457079 0.5987205), wk = 0.0022472 k( 321) = ( 0.1420454 0.3389818 0.6075252), wk = 0.0022472 k( 322) = ( 0.1477273 0.3322558 0.6163299), wk = 0.0022472 k( 323) = ( 0.1534091 0.3255297 0.6251346), wk = 0.0022472 k( 324) = ( 0.1590909 0.3188036 0.6339393), wk = 0.0022472 k( 325) = ( 0.1647727 0.3120776 0.6427440), wk = 0.0022472 k( 326) = ( 0.1704546 0.3053515 0.6515488), wk = 0.0022472 k( 327) = ( 0.1761364 0.2986255 0.6603535), wk = 0.0022472 k( 328) = ( 0.1818182 0.2918994 0.6691582), wk = 0.0022472 k( 329) = ( 0.1875000 0.2851733 0.6779629), wk = 0.0022472 k( 330) = ( 0.1931818 0.2784473 0.6867676), wk = 0.0022472 k( 331) = ( 0.1988636 0.2717212 0.6955723), wk = 0.0022472 k( 332) = ( 0.2045454 0.2649952 0.7043770), wk = 0.0022472 k( 333) = ( 0.2102273 0.2582691 0.7131817), wk = 0.0022472 k( 334) = ( 0.2159091 0.2515430 0.7219865), wk = 0.0022472 k( 335) = ( 0.2215909 0.2448170 0.7307912), wk = 0.0022472 k( 336) = ( 0.2272727 0.2380909 0.7395959), wk = 0.0022472 k( 337) = ( 0.2329546 0.2313648 0.7484006), wk = 0.0022472 k( 338) = ( 0.2386364 0.2246388 0.7572053), wk = 0.0022472 k( 339) = ( 0.2443182 0.2179127 0.7660100), wk = 0.0022472 k( 340) = ( 0.2500000 0.2111867 0.7748147), wk = 0.0022472 k( 341) = ( 0.2500000 0.2111867 0.7748147), wk = 0.0022472 k( 342) = ( 0.2571429 0.2172206 0.7669161), wk = 0.0022472 k( 343) = ( 0.2642857 0.2232545 0.7590174), wk = 0.0022472 k( 344) = ( 0.2714286 0.2292884 0.7511188), wk = 0.0022472 k( 345) = ( 0.2785714 0.2353223 0.7432201), wk = 0.0022472 k( 346) = ( 0.2857143 0.2413562 0.7353215), wk = 0.0022472 k( 347) = ( 0.2928571 0.2473901 0.7274229), wk = 0.0022472 k( 348) = ( 0.3000000 0.2534240 0.7195242), wk = 0.0022472 k( 349) = ( 0.3071429 0.2594579 0.7116256), wk = 0.0022472 k( 350) = ( 0.3142857 0.2654918 0.7037269), wk = 0.0022472 k( 351) = ( 0.3214286 0.2715257 0.6958283), wk = 0.0022472 k( 352) = ( 0.3285714 0.2775596 0.6879296), wk = 0.0022472 k( 353) = ( 0.3357143 0.2835935 0.6800310), wk = 0.0022472 k( 354) = ( 0.3428571 0.2896274 0.6721323), wk = 0.0022472 k( 355) = ( 0.3500000 0.2956613 0.6642337), wk = 0.0022472 k( 356) = ( 0.3571429 0.3016952 0.6563350), wk = 0.0022472 k( 357) = ( 0.3642857 0.3077291 0.6484364), wk = 0.0022472 k( 358) = ( 0.3714286 0.3137630 0.6405377), wk = 0.0022472 k( 359) = ( 0.3785714 0.3197969 0.6326391), wk = 0.0022472 k( 360) = ( 0.3857143 0.3258308 0.6247404), wk = 0.0022472 k( 361) = ( 0.3928571 0.3318647 0.6168418), wk = 0.0022472 k( 362) = ( 0.4000000 0.3378986 0.6089431), wk = 0.0022472 k( 363) = ( 0.4071429 0.3439326 0.6010445), wk = 0.0022472 k( 364) = ( 0.4142857 0.3499664 0.5931458), wk = 0.0022472 k( 365) = ( 0.4214286 0.3560004 0.5852472), wk = 0.0022472 k( 366) = ( 0.4285714 0.3620343 0.5773486), wk = 0.0022472 k( 367) = ( 0.4357143 0.3680682 0.5694499), wk = 0.0022472 k( 368) = ( 0.4428571 0.3741021 0.5615512), wk = 0.0022472 k( 369) = ( 0.4500000 0.3801360 0.5536526), wk = 0.0022472 k( 370) = ( 0.4571429 0.3861699 0.5457540), wk = 0.0022472 k( 371) = ( 0.4642857 0.3922038 0.5378553), wk = 0.0022472 k( 372) = ( 0.4714286 0.3982377 0.5299567), wk = 0.0022472 k( 373) = ( 0.4785714 0.4042716 0.5220580), wk = 0.0022472 k( 374) = ( 0.4857143 0.4103055 0.5141594), wk = 0.0022472 k( 375) = ( 0.4928571 0.4163394 0.5062607), wk = 0.0022472 k( 376) = ( 0.5000000 0.4223733 0.4983621), wk = 0.0022472 k( 377) = ( 0.5000000 0.4223733 0.4983621), wk = 0.0022472 k( 378) = ( 0.5000000 0.4223733 0.4859030), wk = 0.0022472 k( 379) = ( 0.5000000 0.4223733 0.4734440), wk = 0.0022472 k( 380) = ( 0.5000000 0.4223733 0.4609849), wk = 0.0022472 k( 381) = ( 0.5000000 0.4223733 0.4485259), wk = 0.0022472 k( 382) = ( 0.5000000 0.4223733 0.4360668), wk = 0.0022472 k( 383) = ( 0.5000000 0.4223733 0.4236078), wk = 0.0022472 k( 384) = ( 0.5000000 0.4223733 0.4111487), wk = 0.0022472 k( 385) = ( 0.5000000 0.4223733 0.3986896), wk = 0.0022472 k( 386) = ( 0.5000000 0.4223733 0.3862306), wk = 0.0022472 k( 387) = ( 0.5000000 0.4223733 0.3737715), wk = 0.0022472 k( 388) = ( 0.5000000 0.4223733 0.3613125), wk = 0.0022472 k( 389) = ( 0.5000000 0.4223733 0.3488534), wk = 0.0022472 k( 390) = ( 0.5000000 0.4223733 0.3363944), wk = 0.0022472 k( 391) = ( 0.5000000 0.4223733 0.3239353), wk = 0.0022472 k( 392) = ( 0.5000000 0.4223733 0.3114763), wk = 0.0022472 k( 393) = ( 0.5000000 0.4223733 0.2990172), wk = 0.0022472 k( 394) = ( 0.5000000 0.4223733 0.2865582), wk = 0.0022472 k( 395) = ( 0.5000000 0.4223733 0.2740991), wk = 0.0022472 k( 396) = ( 0.5000000 0.4223733 0.2616401), wk = 0.0022472 k( 397) = ( 0.5000000 0.4223733 0.2491810), wk = 0.0022472 k( 398) = ( 0.5000000 0.4223733 0.2367220), wk = 0.0022472 k( 399) = ( 0.5000000 0.4223733 0.2242629), wk = 0.0022472 k( 400) = ( 0.5000000 0.4223733 0.2118039), wk = 0.0022472 k( 401) = ( 0.5000000 0.4223733 0.1993448), wk = 0.0022472 k( 402) = ( 0.5000000 0.4223733 0.1868858), wk = 0.0022472 k( 403) = ( 0.5000000 0.4223733 0.1744267), wk = 0.0022472 k( 404) = ( 0.5000000 0.4223733 0.1619677), wk = 0.0022472 k( 405) = ( 0.5000000 0.4223733 0.1495086), wk = 0.0022472 k( 406) = ( 0.5000000 0.4223733 0.1370496), wk = 0.0022472 k( 407) = ( 0.5000000 0.4223733 0.1245905), wk = 0.0022472 k( 408) = ( 0.5000000 0.4223733 0.1121315), wk = 0.0022472 k( 409) = ( 0.5000000 0.4223733 0.0996724), wk = 0.0022472 k( 410) = ( 0.5000000 0.4223733 0.0872134), wk = 0.0022472 k( 411) = ( 0.5000000 0.4223733 0.0747543), wk = 0.0022472 k( 412) = ( 0.5000000 0.4223733 0.0622953), wk = 0.0022472 k( 413) = ( 0.5000000 0.4223733 0.0498362), wk = 0.0022472 k( 414) = ( 0.5000000 0.4223733 0.0373772), wk = 0.0022472 k( 415) = ( 0.5000000 0.4223733 0.0249181), wk = 0.0022472 k( 416) = ( 0.5000000 0.4223733 0.0124591), wk = 0.0022472 k( 417) = ( 0.5000000 0.4223733 0.0000000), wk = 0.0022472 k( 418) = ( 0.0000000 0.0000000 0.7748147), wk = 0.0022472 k( 419) = ( 0.0092593 0.0078217 0.7748147), wk = 0.0022472 k( 420) = ( 0.0185185 0.0156435 0.7748147), wk = 0.0022472 k( 421) = ( 0.0277778 0.0234652 0.7748147), wk = 0.0022472 k( 422) = ( 0.0370370 0.0312869 0.7748147), wk = 0.0022472 k( 423) = ( 0.0462963 0.0391086 0.7748147), wk = 0.0022472 k( 424) = ( 0.0555556 0.0469304 0.7748147), wk = 0.0022472 k( 425) = ( 0.0648148 0.0547521 0.7748147), wk = 0.0022472 k( 426) = ( 0.0740741 0.0625738 0.7748147), wk = 0.0022472 k( 427) = ( 0.0833333 0.0703955 0.7748147), wk = 0.0022472 k( 428) = ( 0.0925926 0.0782173 0.7748147), wk = 0.0022472 k( 429) = ( 0.1018518 0.0860390 0.7748147), wk = 0.0022472 k( 430) = ( 0.1111111 0.0938607 0.7748147), wk = 0.0022472 k( 431) = ( 0.1203704 0.1016825 0.7748147), wk = 0.0022472 k( 432) = ( 0.1296296 0.1095042 0.7748147), wk = 0.0022472 k( 433) = ( 0.1388889 0.1173259 0.7748147), wk = 0.0022472 k( 434) = ( 0.1481482 0.1251476 0.7748147), wk = 0.0022472 k( 435) = ( 0.1574074 0.1329694 0.7748147), wk = 0.0022472 k( 436) = ( 0.1666667 0.1407911 0.7748147), wk = 0.0022472 k( 437) = ( 0.1759259 0.1486128 0.7748147), wk = 0.0022472 k( 438) = ( 0.1851852 0.1564346 0.7748147), wk = 0.0022472 k( 439) = ( 0.1944444 0.1642563 0.7748147), wk = 0.0022472 k( 440) = ( 0.2037037 0.1720780 0.7748147), wk = 0.0022472 k( 441) = ( 0.2129630 0.1798997 0.7748147), wk = 0.0022472 k( 442) = ( 0.2222222 0.1877215 0.7748147), wk = 0.0022472 k( 443) = ( 0.2314815 0.1955432 0.7748147), wk = 0.0022472 k( 444) = ( 0.2407407 0.2033649 0.7748147), wk = 0.0022472 k( 445) = ( 0.2500000 0.2111867 0.7748147), wk = 0.0022472 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022472 k( 2) = ( 0.0000000 0.0000000 0.0079365), wk = 0.0022472 k( 3) = ( 0.0000000 0.0000000 0.0158730), wk = 0.0022472 k( 4) = ( 0.0000000 0.0000000 0.0238095), wk = 0.0022472 k( 5) = ( 0.0000000 0.0000000 0.0317460), wk = 0.0022472 k( 6) = ( 0.0000000 0.0000000 0.0396825), wk = 0.0022472 k( 7) = ( 0.0000000 0.0000000 0.0476191), wk = 0.0022472 k( 8) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0022472 k( 9) = ( 0.0000000 0.0000000 0.0634921), wk = 0.0022472 k( 10) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0022472 k( 11) = ( 0.0000000 0.0000000 0.0793651), wk = 0.0022472 k( 12) = ( 0.0000000 0.0000000 0.0873016), wk = 0.0022472 k( 13) = ( 0.0000000 0.0000000 0.0952381), wk = 0.0022472 k( 14) = ( 0.0000000 0.0000000 0.1031746), wk = 0.0022472 k( 15) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0022472 k( 16) = ( 0.0000000 0.0000000 0.1190476), wk = 0.0022472 k( 17) = ( 0.0000000 0.0000000 0.1269841), wk = 0.0022472 k( 18) = ( 0.0000000 0.0000000 0.1349206), wk = 0.0022472 k( 19) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0022472 k( 20) = ( 0.0000000 0.0000000 0.1507937), wk = 0.0022472 k( 21) = ( 0.0000000 0.0000000 0.1587302), wk = 0.0022472 k( 22) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0022472 k( 23) = ( 0.0000000 0.0000000 0.1746032), wk = 0.0022472 k( 24) = ( 0.0000000 0.0000000 0.1825397), wk = 0.0022472 k( 25) = ( 0.0000000 0.0000000 0.1904762), wk = 0.0022472 k( 26) = ( 0.0000000 0.0000000 0.1984127), wk = 0.0022472 k( 27) = ( 0.0000000 0.0000000 0.2063492), wk = 0.0022472 k( 28) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0022472 k( 29) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0022472 k( 30) = ( 0.0000000 0.0000000 0.2301587), wk = 0.0022472 k( 31) = ( 0.0000000 0.0000000 0.2380952), wk = 0.0022472 k( 32) = ( 0.0000000 0.0000000 0.2460317), wk = 0.0022472 k( 33) = ( 0.0000000 0.0000000 0.2539683), wk = 0.0022472 k( 34) = ( 0.0000000 0.0000000 0.2619048), wk = 0.0022472 k( 35) = ( 0.0000000 0.0000000 0.2698413), wk = 0.0022472 k( 36) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0022472 k( 37) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0022472 k( 38) = ( 0.0000000 0.0000000 0.2936508), wk = 0.0022472 k( 39) = ( 0.0000000 0.0000000 0.3015873), wk = 0.0022472 k( 40) = ( 0.0000000 0.0000000 0.3095238), wk = 0.0022472 k( 41) = ( 0.0000000 0.0000000 0.3174603), wk = 0.0022472 k( 42) = ( 0.0000000 0.0000000 0.3253968), wk = 0.0022472 k( 43) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0022472 k( 44) = ( 0.0000000 0.0000000 0.3412698), wk = 0.0022472 k( 45) = ( 0.0000000 0.0000000 0.3492063), wk = 0.0022472 k( 46) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0022472 k( 47) = ( 0.0000000 0.0000000 0.3650794), wk = 0.0022472 k( 48) = ( 0.0000000 0.0000000 0.3730159), wk = 0.0022472 k( 49) = ( 0.0000000 0.0000000 0.3809524), wk = 0.0022472 k( 50) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0022472 k( 51) = ( 0.0000000 0.0000000 0.3968254), wk = 0.0022472 k( 52) = ( 0.0000000 0.0000000 0.4047619), wk = 0.0022472 k( 53) = ( 0.0000000 0.0000000 0.4126984), wk = 0.0022472 k( 54) = ( 0.0000000 0.0000000 0.4206349), wk = 0.0022472 k( 55) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0022472 k( 56) = ( 0.0000000 0.0000000 0.4365079), wk = 0.0022472 k( 57) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0022472 k( 58) = ( 0.0000000 0.0000000 0.4523810), wk = 0.0022472 k( 59) = ( 0.0000000 0.0000000 0.4603175), wk = 0.0022472 k( 60) = ( 0.0000000 0.0000000 0.4682540), wk = 0.0022472 k( 61) = ( 0.0000000 0.0000000 0.4761905), wk = 0.0022472 k( 62) = ( 0.0000000 0.0000000 0.4841270), wk = 0.0022472 k( 63) = ( 0.0000000 0.0000000 0.4920635), wk = 0.0022472 k( 64) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022472 k( 65) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022472 k( 66) = ( -0.0077565 0.0077565 0.5000000), wk = 0.0022472 k( 67) = ( -0.0155130 0.0155130 0.5000000), wk = 0.0022472 k( 68) = ( -0.0232695 0.0232695 0.5000000), wk = 0.0022472 k( 69) = ( -0.0310260 0.0310260 0.5000000), wk = 0.0022472 k( 70) = ( -0.0387824 0.0387824 0.5000000), wk = 0.0022472 k( 71) = ( -0.0465389 0.0465389 0.5000000), wk = 0.0022472 k( 72) = ( -0.0542954 0.0542954 0.5000000), wk = 0.0022472 k( 73) = ( -0.0620519 0.0620519 0.5000000), wk = 0.0022472 k( 74) = ( -0.0698084 0.0698084 0.5000000), wk = 0.0022472 k( 75) = ( -0.0775649 0.0775649 0.5000000), wk = 0.0022472 k( 76) = ( -0.0853214 0.0853214 0.5000000), wk = 0.0022472 k( 77) = ( -0.0930779 0.0930779 0.5000000), wk = 0.0022472 k( 78) = ( -0.1008343 0.1008343 0.5000000), wk = 0.0022472 k( 79) = ( -0.1085908 0.1085908 0.5000000), wk = 0.0022472 k( 80) = ( -0.1163473 0.1163473 0.5000000), wk = 0.0022472 k( 81) = ( -0.1241038 0.1241038 0.5000000), wk = 0.0022472 k( 82) = ( -0.1318603 0.1318603 0.5000000), wk = 0.0022472 k( 83) = ( -0.1396168 0.1396168 0.5000000), wk = 0.0022472 k( 84) = ( -0.1473733 0.1473733 0.5000000), wk = 0.0022472 k( 85) = ( -0.1551298 0.1551298 0.5000000), wk = 0.0022472 k( 86) = ( -0.1628862 0.1628862 0.5000000), wk = 0.0022472 k( 87) = ( -0.1706427 0.1706427 0.5000000), wk = 0.0022472 k( 88) = ( -0.1783992 0.1783992 0.5000000), wk = 0.0022472 k( 89) = ( -0.1783992 0.1783992 0.5000000), wk = 0.0022472 k( 90) = ( -0.1839440 0.1839441 0.4944552), wk = 0.0022472 k( 91) = ( -0.1894889 0.1894889 0.4889103), wk = 0.0022472 k( 92) = ( -0.1950337 0.1950337 0.4833655), wk = 0.0022472 k( 93) = ( -0.2005786 0.2005786 0.4778206), wk = 0.0022472 k( 94) = ( -0.2061234 0.2061234 0.4722758), wk = 0.0022472 k( 95) = ( -0.2116683 0.2116683 0.4667309), wk = 0.0022472 k( 96) = ( -0.2172131 0.2172131 0.4611861), wk = 0.0022472 k( 97) = ( -0.2227579 0.2227579 0.4556413), wk = 0.0022472 k( 98) = ( -0.2283028 0.2283028 0.4500964), wk = 0.0022472 k( 99) = ( -0.2338476 0.2338476 0.4445516), wk = 0.0022472 k( 100) = ( -0.2393925 0.2393925 0.4390068), wk = 0.0022472 k( 101) = ( -0.2449373 0.2449373 0.4334619), wk = 0.0022472 k( 102) = ( -0.2504821 0.2504821 0.4279171), wk = 0.0022472 k( 103) = ( -0.2560270 0.2560270 0.4223722), wk = 0.0022472 k( 104) = ( -0.2615718 0.2615718 0.4168274), wk = 0.0022472 k( 105) = ( -0.2671167 0.2671167 0.4112825), wk = 0.0022472 k( 106) = ( -0.2726615 0.2726615 0.4057377), wk = 0.0022472 k( 107) = ( -0.2782063 0.2782063 0.4001929), wk = 0.0022472 k( 108) = ( -0.2837512 0.2837512 0.3946480), wk = 0.0022472 k( 109) = ( -0.2892960 0.2892960 0.3891032), wk = 0.0022472 k( 110) = ( -0.2948409 0.2948409 0.3835583), wk = 0.0022472 k( 111) = ( -0.3003857 0.3003857 0.3780135), wk = 0.0022472 k( 112) = ( -0.3059306 0.3059306 0.3724687), wk = 0.0022472 k( 113) = ( -0.3114754 0.3114754 0.3669238), wk = 0.0022472 k( 114) = ( -0.3170202 0.3170202 0.3613790), wk = 0.0022472 k( 115) = ( -0.3225651 0.3225651 0.3558341), wk = 0.0022472 k( 116) = ( -0.3281099 0.3281099 0.3502893), wk = 0.0022472 k( 117) = ( -0.3336548 0.3336548 0.3447444), wk = 0.0022472 k( 118) = ( -0.3391996 0.3391996 0.3391996), wk = 0.0022472 k( 119) = ( -0.3391996 0.3391996 0.3391996), wk = 0.0022472 k( 120) = ( -0.3335463 0.3335463 0.3335463), wk = 0.0022472 k( 121) = ( -0.3278930 0.3278930 0.3278930), wk = 0.0022472 k( 122) = ( -0.3222396 0.3222396 0.3222396), wk = 0.0022472 k( 123) = ( -0.3165863 0.3165863 0.3165863), wk = 0.0022472 k( 124) = ( -0.3109330 0.3109330 0.3109330), wk = 0.0022472 k( 125) = ( -0.3052796 0.3052796 0.3052796), wk = 0.0022472 k( 126) = ( -0.2996263 0.2996263 0.2996263), wk = 0.0022472 k( 127) = ( -0.2939730 0.2939730 0.2939730), wk = 0.0022472 k( 128) = ( -0.2883197 0.2883197 0.2883197), wk = 0.0022472 k( 129) = ( -0.2826663 0.2826663 0.2826663), wk = 0.0022472 k( 130) = ( -0.2770130 0.2770130 0.2770130), wk = 0.0022472 k( 131) = ( -0.2713597 0.2713597 0.2713597), wk = 0.0022472 k( 132) = ( -0.2657064 0.2657064 0.2657064), wk = 0.0022472 k( 133) = ( -0.2600530 0.2600530 0.2600530), wk = 0.0022472 k( 134) = ( -0.2543997 0.2543997 0.2543997), wk = 0.0022472 k( 135) = ( -0.2487464 0.2487464 0.2487464), wk = 0.0022472 k( 136) = ( -0.2430931 0.2430930 0.2430931), wk = 0.0022472 k( 137) = ( -0.2374397 0.2374397 0.2374397), wk = 0.0022472 k( 138) = ( -0.2317864 0.2317864 0.2317864), wk = 0.0022472 k( 139) = ( -0.2261331 0.2261331 0.2261331), wk = 0.0022472 k( 140) = ( -0.2204797 0.2204797 0.2204797), wk = 0.0022472 k( 141) = ( -0.2148264 0.2148264 0.2148264), wk = 0.0022472 k( 142) = ( -0.2091731 0.2091731 0.2091731), wk = 0.0022472 k( 143) = ( -0.2035198 0.2035198 0.2035198), wk = 0.0022472 k( 144) = ( -0.1978664 0.1978664 0.1978664), wk = 0.0022472 k( 145) = ( -0.1922131 0.1922131 0.1922131), wk = 0.0022472 k( 146) = ( -0.1865598 0.1865598 0.1865598), wk = 0.0022472 k( 147) = ( -0.1809065 0.1809065 0.1809065), wk = 0.0022472 k( 148) = ( -0.1752531 0.1752531 0.1752531), wk = 0.0022472 k( 149) = ( -0.1695998 0.1695998 0.1695998), wk = 0.0022472 k( 150) = ( -0.1639465 0.1639465 0.1639465), wk = 0.0022472 k( 151) = ( -0.1582931 0.1582931 0.1582932), wk = 0.0022472 k( 152) = ( -0.1526398 0.1526398 0.1526398), wk = 0.0022472 k( 153) = ( -0.1469865 0.1469865 0.1469865), wk = 0.0022472 k( 154) = ( -0.1413332 0.1413332 0.1413332), wk = 0.0022472 k( 155) = ( -0.1356798 0.1356798 0.1356798), wk = 0.0022472 k( 156) = ( -0.1300265 0.1300265 0.1300265), wk = 0.0022472 k( 157) = ( -0.1243732 0.1243732 0.1243732), wk = 0.0022472 k( 158) = ( -0.1187199 0.1187199 0.1187199), wk = 0.0022472 k( 159) = ( -0.1130665 0.1130665 0.1130665), wk = 0.0022472 k( 160) = ( -0.1074132 0.1074132 0.1074132), wk = 0.0022472 k( 161) = ( -0.1017599 0.1017599 0.1017599), wk = 0.0022472 k( 162) = ( -0.0961065 0.0961065 0.0961065), wk = 0.0022472 k( 163) = ( -0.0904532 0.0904532 0.0904532), wk = 0.0022472 k( 164) = ( -0.0847999 0.0847999 0.0847999), wk = 0.0022472 k( 165) = ( -0.0791466 0.0791466 0.0791466), wk = 0.0022472 k( 166) = ( -0.0734932 0.0734932 0.0734932), wk = 0.0022472 k( 167) = ( -0.0678399 0.0678399 0.0678399), wk = 0.0022472 k( 168) = ( -0.0621866 0.0621866 0.0621866), wk = 0.0022472 k( 169) = ( -0.0565333 0.0565333 0.0565333), wk = 0.0022472 k( 170) = ( -0.0508799 0.0508799 0.0508799), wk = 0.0022472 k( 171) = ( -0.0452266 0.0452266 0.0452266), wk = 0.0022472 k( 172) = ( -0.0395733 0.0395733 0.0395733), wk = 0.0022472 k( 173) = ( -0.0339200 0.0339200 0.0339200), wk = 0.0022472 k( 174) = ( -0.0282666 0.0282666 0.0282666), wk = 0.0022472 k( 175) = ( -0.0226133 0.0226133 0.0226133), wk = 0.0022472 k( 176) = ( -0.0169600 0.0169600 0.0169600), wk = 0.0022472 k( 177) = ( -0.0113066 0.0113066 0.0113067), wk = 0.0022472 k( 178) = ( -0.0056533 0.0056533 0.0056533), wk = 0.0022472 k( 179) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022472 k( 180) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022472 k( 181) = ( 0.0094340 0.0094340 -0.0094340), wk = 0.0022472 k( 182) = ( 0.0188679 0.0188679 -0.0188679), wk = 0.0022472 k( 183) = ( 0.0283019 0.0283019 -0.0283019), wk = 0.0022472 k( 184) = ( 0.0377359 0.0377359 -0.0377359), wk = 0.0022472 k( 185) = ( 0.0471698 0.0471698 -0.0471698), wk = 0.0022472 k( 186) = ( 0.0566038 0.0566038 -0.0566038), wk = 0.0022472 k( 187) = ( 0.0660377 0.0660377 -0.0660377), wk = 0.0022472 k( 188) = ( 0.0754717 0.0754717 -0.0754717), wk = 0.0022472 k( 189) = ( 0.0849057 0.0849057 -0.0849057), wk = 0.0022472 k( 190) = ( 0.0943396 0.0943396 -0.0943396), wk = 0.0022472 k( 191) = ( 0.1037736 0.1037736 -0.1037736), wk = 0.0022472 k( 192) = ( 0.1132076 0.1132076 -0.1132076), wk = 0.0022472 k( 193) = ( 0.1226415 0.1226415 -0.1226415), wk = 0.0022472 k( 194) = ( 0.1320755 0.1320755 -0.1320755), wk = 0.0022472 k( 195) = ( 0.1415094 0.1415094 -0.1415094), wk = 0.0022472 k( 196) = ( 0.1509434 0.1509434 -0.1509434), wk = 0.0022472 k( 197) = ( 0.1603774 0.1603774 -0.1603774), wk = 0.0022472 k( 198) = ( 0.1698113 0.1698113 -0.1698113), wk = 0.0022472 k( 199) = ( 0.1792453 0.1792453 -0.1792453), wk = 0.0022472 k( 200) = ( 0.1886792 0.1886792 -0.1886792), wk = 0.0022472 k( 201) = ( 0.1981132 0.1981132 -0.1981132), wk = 0.0022472 k( 202) = ( 0.2075472 0.2075472 -0.2075472), wk = 0.0022472 k( 203) = ( 0.2169811 0.2169811 -0.2169811), wk = 0.0022472 k( 204) = ( 0.2264151 0.2264151 -0.2264151), wk = 0.0022472 k( 205) = ( 0.2358491 0.2358491 -0.2358491), wk = 0.0022472 k( 206) = ( 0.2452830 0.2452830 -0.2452830), wk = 0.0022472 k( 207) = ( 0.2547170 0.2547170 -0.2547170), wk = 0.0022472 k( 208) = ( 0.2641509 0.2641509 -0.2641509), wk = 0.0022472 k( 209) = ( 0.2735849 0.2735849 -0.2735849), wk = 0.0022472 k( 210) = ( 0.2830189 0.2830189 -0.2830189), wk = 0.0022472 k( 211) = ( 0.2924528 0.2924528 -0.2924528), wk = 0.0022472 k( 212) = ( 0.3018868 0.3018868 -0.3018868), wk = 0.0022472 k( 213) = ( 0.3113207 0.3113207 -0.3113207), wk = 0.0022472 k( 214) = ( 0.3207547 0.3207547 -0.3207547), wk = 0.0022472 k( 215) = ( 0.3301887 0.3301887 -0.3301887), wk = 0.0022472 k( 216) = ( 0.3396226 0.3396226 -0.3396226), wk = 0.0022472 k( 217) = ( 0.3490566 0.3490566 -0.3490566), wk = 0.0022472 k( 218) = ( 0.3584906 0.3584906 -0.3584906), wk = 0.0022472 k( 219) = ( 0.3679245 0.3679245 -0.3679245), wk = 0.0022472 k( 220) = ( 0.3773585 0.3773585 -0.3773585), wk = 0.0022472 k( 221) = ( 0.3867925 0.3867925 -0.3867925), wk = 0.0022472 k( 222) = ( 0.3962264 0.3962264 -0.3962264), wk = 0.0022472 k( 223) = ( 0.4056604 0.4056604 -0.4056604), wk = 0.0022472 k( 224) = ( 0.4150943 0.4150943 -0.4150943), wk = 0.0022472 k( 225) = ( 0.4245283 0.4245283 -0.4245283), wk = 0.0022472 k( 226) = ( 0.4339623 0.4339623 -0.4339623), wk = 0.0022472 k( 227) = ( 0.4433962 0.4433962 -0.4433962), wk = 0.0022472 k( 228) = ( 0.4528302 0.4528302 -0.4528302), wk = 0.0022472 k( 229) = ( 0.4622641 0.4622642 -0.4622642), wk = 0.0022472 k( 230) = ( 0.4716981 0.4716981 -0.4716981), wk = 0.0022472 k( 231) = ( 0.4811321 0.4811321 -0.4811321), wk = 0.0022472 k( 232) = ( 0.4905660 0.4905660 -0.4905660), wk = 0.0022472 k( 233) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0022472 k( 234) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0022472 k( 235) = ( 0.4944552 0.5055448 -0.4944552), wk = 0.0022472 k( 236) = ( 0.4889103 0.5110897 -0.4889103), wk = 0.0022472 k( 237) = ( 0.4833655 0.5166345 -0.4833655), wk = 0.0022472 k( 238) = ( 0.4778206 0.5221794 -0.4778206), wk = 0.0022472 k( 239) = ( 0.4722758 0.5277242 -0.4722758), wk = 0.0022472 k( 240) = ( 0.4667309 0.5332691 -0.4667310), wk = 0.0022472 k( 241) = ( 0.4611861 0.5388139 -0.4611861), wk = 0.0022472 k( 242) = ( 0.4556413 0.5443587 -0.4556413), wk = 0.0022472 k( 243) = ( 0.4500964 0.5499036 -0.4500964), wk = 0.0022472 k( 244) = ( 0.4445516 0.5554484 -0.4445516), wk = 0.0022472 k( 245) = ( 0.4390068 0.5609932 -0.4390068), wk = 0.0022472 k( 246) = ( 0.4334619 0.5665381 -0.4334619), wk = 0.0022472 k( 247) = ( 0.4279171 0.5720829 -0.4279171), wk = 0.0022472 k( 248) = ( 0.4223722 0.5776278 -0.4223722), wk = 0.0022472 k( 249) = ( 0.4168274 0.5831726 -0.4168274), wk = 0.0022472 k( 250) = ( 0.4112825 0.5887175 -0.4112825), wk = 0.0022472 k( 251) = ( 0.4057377 0.5942623 -0.4057377), wk = 0.0022472 k( 252) = ( 0.4001929 0.5998071 -0.4001929), wk = 0.0022472 k( 253) = ( 0.3946480 0.6053520 -0.3946480), wk = 0.0022472 k( 254) = ( 0.3891032 0.6108968 -0.3891032), wk = 0.0022472 k( 255) = ( 0.3835583 0.6164417 -0.3835583), wk = 0.0022472 k( 256) = ( 0.3780135 0.6219865 -0.3780135), wk = 0.0022472 k( 257) = ( 0.3724687 0.6275314 -0.3724687), wk = 0.0022472 k( 258) = ( 0.3669238 0.6330762 -0.3669238), wk = 0.0022472 k( 259) = ( 0.3613790 0.6386210 -0.3613790), wk = 0.0022472 k( 260) = ( 0.3558341 0.6441659 -0.3558341), wk = 0.0022472 k( 261) = ( 0.3502893 0.6497107 -0.3502893), wk = 0.0022472 k( 262) = ( 0.3447444 0.6552556 -0.3447444), wk = 0.0022472 k( 263) = ( 0.3391996 0.6608004 -0.3391996), wk = 0.0022472 k( 264) = ( 0.3391996 0.6608004 -0.3391996), wk = 0.0022472 k( 265) = ( 0.3282577 0.6556133 -0.3282577), wk = 0.0022472 k( 266) = ( 0.3173158 0.6504262 -0.3173158), wk = 0.0022472 k( 267) = ( 0.3063738 0.6452391 -0.3063738), wk = 0.0022472 k( 268) = ( 0.2954319 0.6400520 -0.2954319), wk = 0.0022472 k( 269) = ( 0.2844900 0.6348649 -0.2844900), wk = 0.0022472 k( 270) = ( 0.2735481 0.6296777 -0.2735481), wk = 0.0022472 k( 271) = ( 0.2626061 0.6244906 -0.2626062), wk = 0.0022472 k( 272) = ( 0.2516642 0.6193035 -0.2516642), wk = 0.0022472 k( 273) = ( 0.2407223 0.6141164 -0.2407223), wk = 0.0022472 k( 274) = ( 0.2297804 0.6089293 -0.2297804), wk = 0.0022472 k( 275) = ( 0.2188384 0.6037422 -0.2188384), wk = 0.0022472 k( 276) = ( 0.2078965 0.5985551 -0.2078965), wk = 0.0022472 k( 277) = ( 0.1969546 0.5933680 -0.1969546), wk = 0.0022472 k( 278) = ( 0.1860127 0.5881809 -0.1860127), wk = 0.0022472 k( 279) = ( 0.1750708 0.5829938 -0.1750708), wk = 0.0022472 k( 280) = ( 0.1641288 0.5778066 -0.1641288), wk = 0.0022472 k( 281) = ( 0.1531869 0.5726195 -0.1531869), wk = 0.0022472 k( 282) = ( 0.1422450 0.5674324 -0.1422450), wk = 0.0022472 k( 283) = ( 0.1313031 0.5622453 -0.1313031), wk = 0.0022472 k( 284) = ( 0.1203612 0.5570582 -0.1203612), wk = 0.0022472 k( 285) = ( 0.1094192 0.5518711 -0.1094192), wk = 0.0022472 k( 286) = ( 0.0984773 0.5466840 -0.0984773), wk = 0.0022472 k( 287) = ( 0.0875354 0.5414969 -0.0875354), wk = 0.0022472 k( 288) = ( 0.0765935 0.5363098 -0.0765935), wk = 0.0022472 k( 289) = ( 0.0656515 0.5311227 -0.0656515), wk = 0.0022472 k( 290) = ( 0.0547096 0.5259356 -0.0547096), wk = 0.0022472 k( 291) = ( 0.0437677 0.5207484 -0.0437677), wk = 0.0022472 k( 292) = ( 0.0328258 0.5155613 -0.0328258), wk = 0.0022472 k( 293) = ( 0.0218838 0.5103742 -0.0218839), wk = 0.0022472 k( 294) = ( 0.0109419 0.5051871 -0.0109419), wk = 0.0022472 k( 295) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0022472 k( 296) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0022472 k( 297) = ( 0.0056818 0.4943182 0.0056818), wk = 0.0022472 k( 298) = ( 0.0113636 0.4886364 0.0113636), wk = 0.0022472 k( 299) = ( 0.0170455 0.4829546 0.0170454), wk = 0.0022472 k( 300) = ( 0.0227273 0.4772727 0.0227273), wk = 0.0022472 k( 301) = ( 0.0284091 0.4715909 0.0284091), wk = 0.0022472 k( 302) = ( 0.0340909 0.4659091 0.0340909), wk = 0.0022472 k( 303) = ( 0.0397727 0.4602273 0.0397727), wk = 0.0022472 k( 304) = ( 0.0454546 0.4545455 0.0454545), wk = 0.0022472 k( 305) = ( 0.0511364 0.4488636 0.0511364), wk = 0.0022472 k( 306) = ( 0.0568182 0.4431818 0.0568182), wk = 0.0022472 k( 307) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0022472 k( 308) = ( 0.0681818 0.4318182 0.0681818), wk = 0.0022472 k( 309) = ( 0.0738636 0.4261364 0.0738636), wk = 0.0022472 k( 310) = ( 0.0795455 0.4204545 0.0795455), wk = 0.0022472 k( 311) = ( 0.0852273 0.4147727 0.0852273), wk = 0.0022472 k( 312) = ( 0.0909091 0.4090909 0.0909091), wk = 0.0022472 k( 313) = ( 0.0965909 0.4034091 0.0965909), wk = 0.0022472 k( 314) = ( 0.1022727 0.3977273 0.1022727), wk = 0.0022472 k( 315) = ( 0.1079545 0.3920455 0.1079545), wk = 0.0022472 k( 316) = ( 0.1136364 0.3863636 0.1136364), wk = 0.0022472 k( 317) = ( 0.1193182 0.3806818 0.1193182), wk = 0.0022472 k( 318) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0022472 k( 319) = ( 0.1306818 0.3693182 0.1306818), wk = 0.0022472 k( 320) = ( 0.1363636 0.3636364 0.1363636), wk = 0.0022472 k( 321) = ( 0.1420454 0.3579546 0.1420454), wk = 0.0022472 k( 322) = ( 0.1477273 0.3522727 0.1477273), wk = 0.0022472 k( 323) = ( 0.1534091 0.3465909 0.1534091), wk = 0.0022472 k( 324) = ( 0.1590909 0.3409091 0.1590909), wk = 0.0022472 k( 325) = ( 0.1647727 0.3352273 0.1647727), wk = 0.0022472 k( 326) = ( 0.1704546 0.3295455 0.1704546), wk = 0.0022472 k( 327) = ( 0.1761364 0.3238636 0.1761364), wk = 0.0022472 k( 328) = ( 0.1818182 0.3181818 0.1818182), wk = 0.0022472 k( 329) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0022472 k( 330) = ( 0.1931818 0.3068182 0.1931818), wk = 0.0022472 k( 331) = ( 0.1988636 0.3011364 0.1988636), wk = 0.0022472 k( 332) = ( 0.2045454 0.2954545 0.2045454), wk = 0.0022472 k( 333) = ( 0.2102273 0.2897727 0.2102273), wk = 0.0022472 k( 334) = ( 0.2159091 0.2840909 0.2159091), wk = 0.0022472 k( 335) = ( 0.2215909 0.2784091 0.2215909), wk = 0.0022472 k( 336) = ( 0.2272727 0.2727273 0.2272727), wk = 0.0022472 k( 337) = ( 0.2329546 0.2670455 0.2329546), wk = 0.0022472 k( 338) = ( 0.2386364 0.2613636 0.2386364), wk = 0.0022472 k( 339) = ( 0.2443182 0.2556818 0.2443182), wk = 0.0022472 k( 340) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0022472 k( 341) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0022472 k( 342) = ( 0.2571429 0.2571429 0.2377600), wk = 0.0022472 k( 343) = ( 0.2642857 0.2642857 0.2255200), wk = 0.0022472 k( 344) = ( 0.2714286 0.2714286 0.2132801), wk = 0.0022472 k( 345) = ( 0.2785714 0.2785714 0.2010401), wk = 0.0022472 k( 346) = ( 0.2857143 0.2857143 0.1888001), wk = 0.0022472 k( 347) = ( 0.2928571 0.2928571 0.1765601), wk = 0.0022472 k( 348) = ( 0.3000000 0.3000000 0.1643202), wk = 0.0022472 k( 349) = ( 0.3071429 0.3071429 0.1520802), wk = 0.0022472 k( 350) = ( 0.3142857 0.3142857 0.1398402), wk = 0.0022472 k( 351) = ( 0.3214286 0.3214286 0.1276002), wk = 0.0022472 k( 352) = ( 0.3285714 0.3285714 0.1153602), wk = 0.0022472 k( 353) = ( 0.3357143 0.3357143 0.1031203), wk = 0.0022472 k( 354) = ( 0.3428571 0.3428571 0.0908803), wk = 0.0022472 k( 355) = ( 0.3500000 0.3500000 0.0786403), wk = 0.0022472 k( 356) = ( 0.3571429 0.3571429 0.0664003), wk = 0.0022472 k( 357) = ( 0.3642857 0.3642857 0.0541604), wk = 0.0022472 k( 358) = ( 0.3714286 0.3714286 0.0419204), wk = 0.0022472 k( 359) = ( 0.3785714 0.3785714 0.0296804), wk = 0.0022472 k( 360) = ( 0.3857143 0.3857143 0.0174404), wk = 0.0022472 k( 361) = ( 0.3928571 0.3928571 0.0052005), wk = 0.0022472 k( 362) = ( 0.4000000 0.4000000 -0.0070395), wk = 0.0022472 k( 363) = ( 0.4071429 0.4071429 -0.0192795), wk = 0.0022472 k( 364) = ( 0.4142857 0.4142857 -0.0315195), wk = 0.0022472 k( 365) = ( 0.4214286 0.4214286 -0.0437595), wk = 0.0022472 k( 366) = ( 0.4285714 0.4285714 -0.0559994), wk = 0.0022472 k( 367) = ( 0.4357143 0.4357143 -0.0682394), wk = 0.0022472 k( 368) = ( 0.4428571 0.4428571 -0.0804794), wk = 0.0022472 k( 369) = ( 0.4500000 0.4500000 -0.0927194), wk = 0.0022472 k( 370) = ( 0.4571429 0.4571429 -0.1049593), wk = 0.0022472 k( 371) = ( 0.4642857 0.4642857 -0.1171993), wk = 0.0022472 k( 372) = ( 0.4714286 0.4714286 -0.1294393), wk = 0.0022472 k( 373) = ( 0.4785714 0.4785714 -0.1416793), wk = 0.0022472 k( 374) = ( 0.4857143 0.4857143 -0.1539193), wk = 0.0022472 k( 375) = ( 0.4928571 0.4928571 -0.1661592), wk = 0.0022472 k( 376) = ( 0.5000000 0.5000000 -0.1783992), wk = 0.0022472 k( 377) = ( 0.5000000 0.5000000 -0.1783992), wk = 0.0022472 k( 378) = ( 0.5000000 0.5000000 -0.1864392), wk = 0.0022472 k( 379) = ( 0.5000000 0.5000000 -0.1944793), wk = 0.0022472 k( 380) = ( 0.5000000 0.5000000 -0.2025193), wk = 0.0022472 k( 381) = ( 0.5000000 0.5000000 -0.2105593), wk = 0.0022472 k( 382) = ( 0.5000000 0.5000000 -0.2185993), wk = 0.0022472 k( 383) = ( 0.5000000 0.5000000 -0.2266393), wk = 0.0022472 k( 384) = ( 0.5000000 0.5000000 -0.2346794), wk = 0.0022472 k( 385) = ( 0.5000000 0.5000000 -0.2427194), wk = 0.0022472 k( 386) = ( 0.5000000 0.5000000 -0.2507594), wk = 0.0022472 k( 387) = ( 0.5000000 0.5000000 -0.2587994), wk = 0.0022472 k( 388) = ( 0.5000000 0.5000000 -0.2668394), wk = 0.0022472 k( 389) = ( 0.5000000 0.5000000 -0.2748795), wk = 0.0022472 k( 390) = ( 0.5000000 0.5000000 -0.2829195), wk = 0.0022472 k( 391) = ( 0.5000000 0.5000000 -0.2909595), wk = 0.0022472 k( 392) = ( 0.5000000 0.5000000 -0.2989995), wk = 0.0022472 k( 393) = ( 0.5000000 0.5000000 -0.3070395), wk = 0.0022472 k( 394) = ( 0.5000000 0.5000000 -0.3150795), wk = 0.0022472 k( 395) = ( 0.5000000 0.5000000 -0.3231196), wk = 0.0022472 k( 396) = ( 0.5000000 0.5000000 -0.3311596), wk = 0.0022472 k( 397) = ( 0.5000000 0.5000000 -0.3391996), wk = 0.0022472 k( 398) = ( 0.5000000 0.5000000 -0.3472396), wk = 0.0022472 k( 399) = ( 0.5000000 0.5000000 -0.3552796), wk = 0.0022472 k( 400) = ( 0.5000000 0.5000000 -0.3633197), wk = 0.0022472 k( 401) = ( 0.5000000 0.5000000 -0.3713597), wk = 0.0022472 k( 402) = ( 0.5000000 0.5000000 -0.3793997), wk = 0.0022472 k( 403) = ( 0.5000000 0.5000000 -0.3874397), wk = 0.0022472 k( 404) = ( 0.5000000 0.5000000 -0.3954797), wk = 0.0022472 k( 405) = ( 0.5000000 0.5000000 -0.4035198), wk = 0.0022472 k( 406) = ( 0.5000000 0.5000000 -0.4115598), wk = 0.0022472 k( 407) = ( 0.5000000 0.5000000 -0.4195998), wk = 0.0022472 k( 408) = ( 0.5000000 0.5000000 -0.4276398), wk = 0.0022472 k( 409) = ( 0.5000000 0.5000000 -0.4356798), wk = 0.0022472 k( 410) = ( 0.5000000 0.5000000 -0.4437199), wk = 0.0022472 k( 411) = ( 0.5000000 0.5000000 -0.4517599), wk = 0.0022472 k( 412) = ( 0.5000000 0.5000000 -0.4597999), wk = 0.0022472 k( 413) = ( 0.5000000 0.5000000 -0.4678399), wk = 0.0022472 k( 414) = ( 0.5000000 0.5000000 -0.4758799), wk = 0.0022472 k( 415) = ( 0.5000000 0.5000000 -0.4839200), wk = 0.0022472 k( 416) = ( 0.5000000 0.5000000 -0.4919600), wk = 0.0022472 k( 417) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0022472 k( 418) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022472 k( 419) = ( 0.0092593 0.0092593 0.4907407), wk = 0.0022472 k( 420) = ( 0.0185185 0.0185185 0.4814815), wk = 0.0022472 k( 421) = ( 0.0277778 0.0277778 0.4722222), wk = 0.0022472 k( 422) = ( 0.0370370 0.0370370 0.4629630), wk = 0.0022472 k( 423) = ( 0.0462963 0.0462963 0.4537037), wk = 0.0022472 k( 424) = ( 0.0555556 0.0555556 0.4444444), wk = 0.0022472 k( 425) = ( 0.0648148 0.0648148 0.4351852), wk = 0.0022472 k( 426) = ( 0.0740741 0.0740741 0.4259259), wk = 0.0022472 k( 427) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0022472 k( 428) = ( 0.0925926 0.0925926 0.4074074), wk = 0.0022472 k( 429) = ( 0.1018518 0.1018518 0.3981481), wk = 0.0022472 k( 430) = ( 0.1111111 0.1111111 0.3888889), wk = 0.0022472 k( 431) = ( 0.1203704 0.1203704 0.3796296), wk = 0.0022472 k( 432) = ( 0.1296296 0.1296296 0.3703704), wk = 0.0022472 k( 433) = ( 0.1388889 0.1388889 0.3611111), wk = 0.0022472 k( 434) = ( 0.1481482 0.1481482 0.3518519), wk = 0.0022472 k( 435) = ( 0.1574074 0.1574074 0.3425926), wk = 0.0022472 k( 436) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0022472 k( 437) = ( 0.1759259 0.1759259 0.3240741), wk = 0.0022472 k( 438) = ( 0.1851852 0.1851852 0.3148148), wk = 0.0022472 k( 439) = ( 0.1944444 0.1944444 0.3055556), wk = 0.0022472 k( 440) = ( 0.2037037 0.2037037 0.2962963), wk = 0.0022472 k( 441) = ( 0.2129630 0.2129630 0.2870370), wk = 0.0022472 k( 442) = ( 0.2222222 0.2222222 0.2777778), wk = 0.0022472 k( 443) = ( 0.2314815 0.2314815 0.2685185), wk = 0.0022472 k( 444) = ( 0.2407407 0.2407407 0.2592593), wk = 0.0022472 k( 445) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0022472 Dense grid: 25017 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 10773 G-vectors FFT dimensions: ( 32, 32, 32) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.04 Mb ( 88, 28) NL pseudopotentials 0.04 Mb ( 44, 62) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 696) G-vector shells 0.00 Mb ( 311) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.15 Mb ( 88, 112) Each subspace H/S matrix 0.01 Mb ( 28, 28) Each matrix 0.05 Mb ( 62, 2, 28) Check: negative/imaginary core charge= -0.000007 0.000000 The potential is recalculated from file : ./CaN2.save/charge-density.dat Starting wfc are 32 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.7 secs Computing kpt #: 2 total cpu time spent up to now is 2.9 secs Computing kpt #: 3 total cpu time spent up to now is 3.0 secs Computing kpt #: 4 total cpu time spent up to now is 3.1 secs Computing kpt #: 5 total cpu time spent up to now is 3.3 secs Computing kpt #: 6 total cpu time spent up to now is 3.4 secs Computing kpt #: 7 total cpu time spent up to now is 3.5 secs Computing kpt #: 8 total cpu time spent up to now is 3.6 secs Computing kpt #: 9 total cpu time spent up to now is 3.8 secs Computing kpt #: 10 total cpu time spent up to now is 3.9 secs Computing kpt #: 11 total cpu time spent up to now is 4.0 secs Computing kpt #: 12 total cpu time spent up to now is 4.2 secs Computing kpt #: 13 total cpu time spent up to now is 4.3 secs Computing kpt #: 14 total cpu time spent up to now is 4.4 secs Computing kpt #: 15 total cpu time spent up to now is 4.5 secs Computing kpt #: 16 total cpu time spent up to now is 4.7 secs Computing kpt #: 17 total cpu time spent up to now is 4.8 secs Computing kpt #: 18 total cpu time spent up to now is 4.9 secs Computing kpt #: 19 total cpu time spent up to now is 5.1 secs Computing kpt #: 20 total cpu time spent up to now is 5.2 secs Computing kpt #: 21 total cpu time spent up to now is 5.4 secs Computing kpt #: 22 total cpu time spent up to now is 5.5 secs Computing kpt #: 23 total cpu time spent up to now is 5.7 secs Computing kpt #: 24 total cpu time spent up to now is 5.9 secs Computing kpt #: 25 total cpu time spent up to now is 6.2 secs Computing kpt #: 26 total cpu time spent up to now is 6.3 secs Computing kpt #: 27 total cpu time spent up to now is 6.5 secs Computing kpt #: 28 total cpu time spent up to now is 6.6 secs Computing kpt #: 29 total cpu time spent up to now is 6.7 secs Computing kpt #: 30 total cpu time spent up to now is 6.9 secs Computing kpt #: 31 total cpu time spent up to now is 7.0 secs Computing kpt #: 32 total cpu time spent up to now is 7.1 secs Computing kpt #: 33 total cpu time spent up to now is 7.3 secs Computing kpt #: 34 total cpu time spent up to now is 7.4 secs Computing kpt #: 35 total cpu time spent up to now is 7.6 secs Computing kpt #: 36 total cpu time spent up to now is 7.8 secs Computing kpt #: 37 total cpu time spent up to now is 7.9 secs Computing kpt #: 38 total cpu time spent up to now is 8.1 secs Computing kpt #: 39 total cpu time spent up to now is 8.2 secs Computing kpt #: 40 total cpu time spent up to now is 8.4 secs Computing kpt #: 41 total cpu time spent up to now is 8.5 secs Computing kpt #: 42 total cpu time spent up to now is 8.7 secs Computing kpt #: 43 total cpu time spent up to now is 8.8 secs Computing kpt #: 44 total cpu time spent up to now is 9.0 secs Computing kpt #: 45 total cpu time spent up to now is 9.1 secs Computing kpt #: 46 total cpu time spent up to now is 9.3 secs Computing kpt #: 47 total cpu time spent up to now is 9.4 secs Computing kpt #: 48 total cpu time spent up to now is 9.6 secs Computing kpt #: 49 total cpu time spent up to now is 9.7 secs Computing kpt #: 50 total cpu time spent up to now is 9.9 secs Computing kpt #: 51 total cpu time spent up to now is 10.0 secs Computing kpt #: 52 total cpu time spent up to now is 10.1 secs Computing kpt #: 53 total cpu time spent up to now is 10.3 secs Computing kpt #: 54 total cpu time spent up to now is 10.4 secs Computing kpt #: 55 total cpu time spent up to now is 10.6 secs Computing kpt #: 56 total cpu time spent up to now is 10.7 secs Computing kpt #: 57 total cpu time spent up to now is 10.9 secs Computing kpt #: 58 total cpu time spent up to now is 11.1 secs Computing kpt #: 59 total cpu time spent up to now is 11.3 secs Computing kpt #: 60 total cpu time spent up to now is 11.4 secs Computing kpt #: 61 total cpu time spent up to now is 11.6 secs Computing kpt #: 62 total cpu time spent up to now is 11.8 secs Computing kpt #: 63 total cpu time spent up to now is 12.0 secs Computing kpt #: 64 total cpu time spent up to now is 12.1 secs Computing kpt #: 65 total cpu time spent up to now is 12.3 secs Computing kpt #: 66 total cpu time spent up to now is 12.5 secs Computing kpt #: 67 total cpu time spent up to now is 12.7 secs Computing kpt #: 68 total cpu time spent up to now is 12.8 secs Computing kpt #: 69 total cpu time spent up to now is 13.0 secs Computing kpt #: 70 total cpu time spent up to now is 13.2 secs Computing kpt #: 71 total cpu time spent up to now is 13.4 secs Computing kpt #: 72 total cpu time spent up to now is 13.5 secs Computing kpt #: 73 total cpu time spent up to now is 13.7 secs Computing kpt #: 74 total cpu time spent up to now is 14.3 secs Computing kpt #: 75 total cpu time spent up to now is 14.4 secs Computing kpt #: 76 total cpu time spent up to now is 14.5 secs Computing kpt #: 77 total cpu time spent up to now is 14.7 secs Computing kpt #: 78 total cpu time spent up to now is 14.8 secs Computing kpt #: 79 total cpu time spent up to now is 14.9 secs Computing kpt #: 80 total cpu time spent up to now is 15.1 secs Computing kpt #: 81 total cpu time spent up to now is 15.2 secs Computing kpt #: 82 total cpu time spent up to now is 15.3 secs Computing kpt #: 83 total cpu time spent up to now is 15.4 secs Computing kpt #: 84 total cpu time spent up to now is 15.6 secs Computing kpt #: 85 total cpu time spent up to now is 15.7 secs Computing kpt #: 86 total cpu time spent up to now is 15.8 secs Computing kpt #: 87 total cpu time spent up to now is 15.9 secs Computing kpt #: 88 total cpu time spent up to now is 16.1 secs Computing kpt #: 89 total cpu time spent up to now is 16.2 secs Computing kpt #: 90 total cpu time spent up to now is 16.4 secs Computing kpt #: 91 total cpu time spent up to now is 16.5 secs Computing kpt #: 92 total cpu time spent up to now is 16.6 secs Computing kpt #: 93 total cpu time spent up to now is 16.8 secs Computing kpt #: 94 total cpu time spent up to now is 16.9 secs Computing kpt #: 95 total cpu time spent up to now is 17.1 secs Computing kpt #: 96 total cpu time spent up to now is 17.2 secs Computing kpt #: 97 total cpu time spent up to now is 17.3 secs Computing kpt #: 98 total cpu time spent up to now is 17.5 secs Computing kpt #: 99 total cpu time spent up to now is 17.6 secs Computing kpt #: 100 total cpu time spent up to now is 17.7 secs Computing kpt #: 101 total cpu time spent up to now is 17.9 secs Computing kpt #: 102 total cpu time spent up to now is 18.0 secs Computing kpt #: 103 total cpu time spent up to now is 18.1 secs Computing kpt #: 104 total cpu time spent up to now is 18.3 secs Computing kpt #: 105 total cpu time spent up to now is 18.4 secs Computing kpt #: 106 total cpu time spent up to now is 18.5 secs Computing kpt #: 107 total cpu time spent up to now is 18.7 secs Computing kpt #: 108 total cpu time spent up to now is 18.9 secs Computing kpt #: 109 total cpu time spent up to now is 19.1 secs Computing kpt #: 110 total cpu time spent up to now is 19.2 secs Computing kpt #: 111 total cpu time spent up to now is 19.4 secs Computing kpt #: 112 total cpu time spent up to now is 19.5 secs Computing kpt #: 113 total cpu time spent up to now is 19.8 secs Computing kpt #: 114 total cpu time spent up to now is 20.0 secs Computing kpt #: 115 total cpu time spent up to now is 20.1 secs Computing kpt #: 116 total cpu time spent up to now is 20.3 secs Computing kpt #: 117 total cpu time spent up to now is 20.4 secs Computing kpt #: 118 total cpu time spent up to now is 20.6 secs Computing kpt #: 119 total cpu time spent up to now is 20.7 secs Computing kpt #: 120 total cpu time spent up to now is 20.8 secs Computing kpt #: 121 total cpu time spent up to now is 21.0 secs Computing kpt #: 122 total cpu time spent up to now is 21.1 secs Computing kpt #: 123 total cpu time spent up to now is 21.2 secs Computing kpt #: 124 total cpu time spent up to now is 21.4 secs Computing kpt #: 125 total cpu time spent up to now is 21.5 secs Computing kpt #: 126 total cpu time spent up to now is 21.6 secs Computing kpt #: 127 total cpu time spent up to now is 21.8 secs Computing kpt #: 128 total cpu time spent up to now is 21.9 secs Computing kpt #: 129 total cpu time spent up to now is 22.0 secs Computing kpt #: 130 total cpu time spent up to now is 22.1 secs Computing kpt #: 131 total cpu time spent up to now is 22.3 secs Computing kpt #: 132 total cpu time spent up to now is 22.4 secs Computing kpt #: 133 total cpu time spent up to now is 22.5 secs Computing kpt #: 134 total cpu time spent up to now is 22.6 secs Computing kpt #: 135 total cpu time spent up to now is 22.7 secs Computing kpt #: 136 total cpu time spent up to now is 22.9 secs Computing kpt #: 137 total cpu time spent up to now is 23.0 secs Computing kpt #: 138 total cpu time spent up to now is 23.1 secs Computing kpt #: 139 total cpu time spent up to now is 23.2 secs Computing kpt #: 140 total cpu time spent up to now is 23.3 secs Computing kpt #: 141 total cpu time spent up to now is 23.5 secs Computing kpt #: 142 total cpu time spent up to now is 23.6 secs Computing kpt #: 143 total cpu time spent up to now is 23.7 secs Computing kpt #: 144 total cpu time spent up to now is 23.8 secs Computing kpt #: 145 total cpu time spent up to now is 23.9 secs Computing kpt #: 146 total cpu time spent up to now is 24.1 secs Computing kpt #: 147 total cpu time spent up to now is 24.2 secs Computing kpt #: 148 total cpu time spent up to now is 24.3 secs Computing kpt #: 149 total cpu time spent up to now is 24.4 secs Computing kpt #: 150 total cpu time spent up to now is 24.5 secs Computing kpt #: 151 total cpu time spent up to now is 24.7 secs Computing kpt #: 152 total cpu time spent up to now is 24.8 secs Computing kpt #: 153 total cpu time spent up to now is 25.0 secs Computing kpt #: 154 total cpu time spent up to now is 25.1 secs Computing kpt #: 155 total cpu time spent up to now is 25.2 secs Computing kpt #: 156 total cpu time spent up to now is 25.3 secs Computing kpt #: 157 total cpu time spent up to now is 25.5 secs Computing kpt #: 158 total cpu time spent up to now is 25.6 secs Computing kpt #: 159 total cpu time spent up to now is 25.7 secs Computing kpt #: 160 total cpu time spent up to now is 25.9 secs Computing kpt #: 161 total cpu time spent up to now is 26.0 secs Computing kpt #: 162 total cpu time spent up to now is 26.1 secs Computing kpt #: 163 total cpu time spent up to now is 26.2 secs Computing kpt #: 164 total cpu time spent up to now is 26.4 secs Computing kpt #: 165 total cpu time spent up to now is 26.5 secs Computing kpt #: 166 total cpu time spent up to now is 26.6 secs Computing kpt #: 167 total cpu time spent up to now is 26.8 secs Computing kpt #: 168 total cpu time spent up to now is 26.9 secs Computing kpt #: 169 total cpu time spent up to now is 27.0 secs Computing kpt #: 170 total cpu time spent up to now is 27.1 secs Computing kpt #: 171 total cpu time spent up to now is 27.3 secs Computing kpt #: 172 total cpu time spent up to now is 27.4 secs Computing kpt #: 173 total cpu time spent up to now is 27.5 secs Computing kpt #: 174 total cpu time spent up to now is 27.7 secs Computing kpt #: 175 total cpu time spent up to now is 27.8 secs Computing kpt #: 176 total cpu time spent up to now is 27.9 secs Computing kpt #: 177 total cpu time spent up to now is 28.1 secs Computing kpt #: 178 total cpu time spent up to now is 28.2 secs Computing kpt #: 179 total cpu time spent up to now is 28.3 secs Computing kpt #: 180 total cpu time spent up to now is 28.4 secs Computing kpt #: 181 total cpu time spent up to now is 28.6 secs Computing kpt #: 182 total cpu time spent up to now is 28.7 secs Computing kpt #: 183 total cpu time spent up to now is 28.8 secs Computing kpt #: 184 total cpu time spent up to now is 29.0 secs Computing kpt #: 185 total cpu time spent up to now is 29.1 secs Computing kpt #: 186 total cpu time spent up to now is 29.2 secs Computing kpt #: 187 total cpu time spent up to now is 29.3 secs Computing kpt #: 188 total cpu time spent up to now is 29.5 secs Computing kpt #: 189 total cpu time spent up to now is 29.6 secs Computing kpt #: 190 total cpu time spent up to now is 29.7 secs Computing kpt #: 191 total cpu time spent up to now is 29.9 secs Computing kpt #: 192 total cpu time spent up to now is 30.0 secs Computing kpt #: 193 total cpu time spent up to now is 30.1 secs Computing kpt #: 194 total cpu time spent up to now is 30.3 secs Computing kpt #: 195 total cpu time spent up to now is 30.4 secs Computing kpt #: 196 total cpu time spent up to now is 30.5 secs Computing kpt #: 197 total cpu time spent up to now is 30.7 secs Computing kpt #: 198 total cpu time spent up to now is 30.8 secs Computing kpt #: 199 total cpu time spent up to now is 30.9 secs Computing kpt #: 200 total cpu time spent up to now is 31.0 secs Computing kpt #: 201 total cpu time spent up to now is 31.2 secs Computing kpt #: 202 total cpu time spent up to now is 31.3 secs Computing kpt #: 203 total cpu time spent up to now is 31.5 secs Computing kpt #: 204 total cpu time spent up to now is 31.6 secs Computing kpt #: 205 total cpu time spent up to now is 31.8 secs Computing kpt #: 206 total cpu time spent up to now is 31.9 secs Computing kpt #: 207 total cpu time spent up to now is 32.0 secs Computing kpt #: 208 total cpu time spent up to now is 32.2 secs Computing kpt #: 209 total cpu time spent up to now is 32.4 secs Computing kpt #: 210 total cpu time spent up to now is 32.6 secs Computing kpt #: 211 total cpu time spent up to now is 32.7 secs Computing kpt #: 212 total cpu time spent up to now is 32.9 secs Computing kpt #: 213 total cpu time spent up to now is 33.1 secs Computing kpt #: 214 total cpu time spent up to now is 33.2 secs Computing kpt #: 215 total cpu time spent up to now is 33.4 secs Computing kpt #: 216 total cpu time spent up to now is 33.6 secs Computing kpt #: 217 total cpu time spent up to now is 33.8 secs Computing kpt #: 218 total cpu time spent up to now is 33.9 secs Computing kpt #: 219 total cpu time spent up to now is 34.1 secs Computing kpt #: 220 total cpu time spent up to now is 34.3 secs Computing kpt #: 221 total cpu time spent up to now is 34.5 secs Computing kpt #: 222 total cpu time spent up to now is 34.7 secs Computing kpt #: 223 total cpu time spent up to now is 34.8 secs Computing kpt #: 224 total cpu time spent up to now is 34.9 secs Computing kpt #: 225 total cpu time spent up to now is 35.1 secs Computing kpt #: 226 total cpu time spent up to now is 35.3 secs Computing kpt #: 227 total cpu time spent up to now is 35.5 secs Computing kpt #: 228 total cpu time spent up to now is 35.6 secs Computing kpt #: 229 total cpu time spent up to now is 35.7 secs Computing kpt #: 230 total cpu time spent up to now is 35.9 secs Computing kpt #: 231 total cpu time spent up to now is 36.1 secs Computing kpt #: 232 total cpu time spent up to now is 36.2 secs Computing kpt #: 233 total cpu time spent up to now is 36.3 secs Computing kpt #: 234 total cpu time spent up to now is 36.5 secs Computing kpt #: 235 total cpu time spent up to now is 36.6 secs Computing kpt #: 236 total cpu time spent up to now is 36.7 secs Computing kpt #: 237 total cpu time spent up to now is 36.8 secs Computing kpt #: 238 total cpu time spent up to now is 37.0 secs Computing kpt #: 239 total cpu time spent up to now is 37.2 secs Computing kpt #: 240 total cpu time spent up to now is 37.4 secs Computing kpt #: 241 total cpu time spent up to now is 37.6 secs Computing kpt #: 242 total cpu time spent up to now is 37.8 secs Computing kpt #: 243 total cpu time spent up to now is 37.9 secs Computing kpt #: 244 total cpu time spent up to now is 38.1 secs Computing kpt #: 245 total cpu time spent up to now is 38.3 secs Computing kpt #: 246 total cpu time spent up to now is 38.5 secs Computing kpt #: 247 total cpu time spent up to now is 38.7 secs Computing kpt #: 248 total cpu time spent up to now is 38.8 secs Computing kpt #: 249 total cpu time spent up to now is 39.0 secs Computing kpt #: 250 total cpu time spent up to now is 39.1 secs Computing kpt #: 251 total cpu time spent up to now is 39.3 secs Computing kpt #: 252 total cpu time spent up to now is 39.4 secs Computing kpt #: 253 total cpu time spent up to now is 39.5 secs Computing kpt #: 254 total cpu time spent up to now is 39.7 secs Computing kpt #: 255 total cpu time spent up to now is 39.8 secs Computing kpt #: 256 total cpu time spent up to now is 39.9 secs Computing kpt #: 257 total cpu time spent up to now is 40.1 secs Computing kpt #: 258 total cpu time spent up to now is 40.2 secs Computing kpt #: 259 total cpu time spent up to now is 40.4 secs Computing kpt #: 260 total cpu time spent up to now is 40.5 secs Computing kpt #: 261 total cpu time spent up to now is 40.6 secs Computing kpt #: 262 total cpu time spent up to now is 40.8 secs Computing kpt #: 263 total cpu time spent up to now is 40.9 secs Computing kpt #: 264 total cpu time spent up to now is 41.0 secs Computing kpt #: 265 total cpu time spent up to now is 41.2 secs Computing kpt #: 266 total cpu time spent up to now is 41.4 secs Computing kpt #: 267 total cpu time spent up to now is 41.5 secs Computing kpt #: 268 total cpu time spent up to now is 41.6 secs Computing kpt #: 269 total cpu time spent up to now is 41.8 secs Computing kpt #: 270 total cpu time spent up to now is 42.0 secs Computing kpt #: 271 total cpu time spent up to now is 42.1 secs Computing kpt #: 272 total cpu time spent up to now is 42.2 secs Computing kpt #: 273 total cpu time spent up to now is 42.4 secs Computing kpt #: 274 total cpu time spent up to now is 42.6 secs Computing kpt #: 275 total cpu time spent up to now is 42.7 secs Computing kpt #: 276 total cpu time spent up to now is 42.9 secs Computing kpt #: 277 total cpu time spent up to now is 43.0 secs Computing kpt #: 278 total cpu time spent up to now is 43.2 secs Computing kpt #: 279 total cpu time spent up to now is 43.4 secs Computing kpt #: 280 total cpu time spent up to now is 43.5 secs Computing kpt #: 281 total cpu time spent up to now is 43.7 secs Computing kpt #: 282 total cpu time spent up to now is 43.9 secs Computing kpt #: 283 total cpu time spent up to now is 44.1 secs Computing kpt #: 284 total cpu time spent up to now is 44.2 secs Computing kpt #: 285 total cpu time spent up to now is 44.3 secs Computing kpt #: 286 total cpu time spent up to now is 44.5 secs Computing kpt #: 287 total cpu time spent up to now is 44.7 secs Computing kpt #: 288 total cpu time spent up to now is 44.9 secs Computing kpt #: 289 total cpu time spent up to now is 45.1 secs Computing kpt #: 290 total cpu time spent up to now is 45.2 secs Computing kpt #: 291 total cpu time spent up to now is 45.4 secs Computing kpt #: 292 total cpu time spent up to now is 45.5 secs Computing kpt #: 293 total cpu time spent up to now is 45.7 secs Computing kpt #: 294 total cpu time spent up to now is 45.8 secs Computing kpt #: 295 total cpu time spent up to now is 45.9 secs Computing kpt #: 296 total cpu time spent up to now is 46.0 secs Computing kpt #: 297 total cpu time spent up to now is 46.2 secs Computing kpt #: 298 total cpu time spent up to now is 46.3 secs Computing kpt #: 299 total cpu time spent up to now is 46.5 secs Computing kpt #: 300 total cpu time spent up to now is 46.6 secs Computing kpt #: 301 total cpu time spent up to now is 46.8 secs Computing kpt #: 302 total cpu time spent up to now is 47.0 secs Computing kpt #: 303 total cpu time spent up to now is 47.2 secs Computing kpt #: 304 total cpu time spent up to now is 47.4 secs Computing kpt #: 305 total cpu time spent up to now is 47.6 secs Computing kpt #: 306 total cpu time spent up to now is 47.7 secs Computing kpt #: 307 total cpu time spent up to now is 47.9 secs Computing kpt #: 308 total cpu time spent up to now is 48.1 secs Computing kpt #: 309 total cpu time spent up to now is 48.2 secs Computing kpt #: 310 total cpu time spent up to now is 48.4 secs Computing kpt #: 311 total cpu time spent up to now is 48.5 secs Computing kpt #: 312 total cpu time spent up to now is 48.7 secs Computing kpt #: 313 total cpu time spent up to now is 48.8 secs Computing kpt #: 314 total cpu time spent up to now is 49.1 secs Computing kpt #: 315 total cpu time spent up to now is 49.2 secs Computing kpt #: 316 total cpu time spent up to now is 49.3 secs Computing kpt #: 317 total cpu time spent up to now is 49.5 secs Computing kpt #: 318 total cpu time spent up to now is 49.6 secs Computing kpt #: 319 total cpu time spent up to now is 49.8 secs Computing kpt #: 320 total cpu time spent up to now is 49.9 secs Computing kpt #: 321 total cpu time spent up to now is 50.0 secs Computing kpt #: 322 total cpu time spent up to now is 50.2 secs Computing kpt #: 323 total cpu time spent up to now is 50.3 secs Computing kpt #: 324 total cpu time spent up to now is 50.5 secs Computing kpt #: 325 total cpu time spent up to now is 50.6 secs Computing kpt #: 326 total cpu time spent up to now is 50.8 secs Computing kpt #: 327 total cpu time spent up to now is 50.9 secs Computing kpt #: 328 total cpu time spent up to now is 51.1 secs Computing kpt #: 329 total cpu time spent up to now is 51.2 secs Computing kpt #: 330 total cpu time spent up to now is 51.4 secs Computing kpt #: 331 total cpu time spent up to now is 51.5 secs Computing kpt #: 332 total cpu time spent up to now is 51.7 secs Computing kpt #: 333 total cpu time spent up to now is 51.8 secs Computing kpt #: 334 total cpu time spent up to now is 52.0 secs Computing kpt #: 335 total cpu time spent up to now is 52.2 secs Computing kpt #: 336 total cpu time spent up to now is 52.3 secs Computing kpt #: 337 total cpu time spent up to now is 52.5 secs Computing kpt #: 338 total cpu time spent up to now is 52.7 secs Computing kpt #: 339 total cpu time spent up to now is 52.8 secs Computing kpt #: 340 total cpu time spent up to now is 53.0 secs Computing kpt #: 341 total cpu time spent up to now is 53.2 secs Computing kpt #: 342 total cpu time spent up to now is 53.3 secs Computing kpt #: 343 total cpu time spent up to now is 53.5 secs Computing kpt #: 344 total cpu time spent up to now is 53.7 secs Computing kpt #: 345 total cpu time spent up to now is 53.8 secs Computing kpt #: 346 total cpu time spent up to now is 54.0 secs Computing kpt #: 347 total cpu time spent up to now is 54.1 secs Computing kpt #: 348 total cpu time spent up to now is 54.3 secs Computing kpt #: 349 total cpu time spent up to now is 54.4 secs Computing kpt #: 350 total cpu time spent up to now is 54.6 secs Computing kpt #: 351 total cpu time spent up to now is 54.7 secs Computing kpt #: 352 total cpu time spent up to now is 54.9 secs Computing kpt #: 353 total cpu time spent up to now is 55.0 secs Computing kpt #: 354 total cpu time spent up to now is 55.2 secs Computing kpt #: 355 total cpu time spent up to now is 55.3 secs Computing kpt #: 356 total cpu time spent up to now is 55.5 secs Computing kpt #: 357 total cpu time spent up to now is 55.6 secs Computing kpt #: 358 total cpu time spent up to now is 55.8 secs Computing kpt #: 359 total cpu time spent up to now is 55.9 secs Computing kpt #: 360 total cpu time spent up to now is 56.1 secs Computing kpt #: 361 total cpu time spent up to now is 56.2 secs Computing kpt #: 362 total cpu time spent up to now is 56.3 secs Computing kpt #: 363 total cpu time spent up to now is 56.4 secs Computing kpt #: 364 total cpu time spent up to now is 56.6 secs Computing kpt #: 365 total cpu time spent up to now is 56.7 secs Computing kpt #: 366 total cpu time spent up to now is 56.8 secs Computing kpt #: 367 total cpu time spent up to now is 56.9 secs Computing kpt #: 368 total cpu time spent up to now is 57.1 secs Computing kpt #: 369 total cpu time spent up to now is 57.2 secs Computing kpt #: 370 total cpu time spent up to now is 57.3 secs Computing kpt #: 371 total cpu time spent up to now is 57.5 secs Computing kpt #: 372 total cpu time spent up to now is 57.6 secs Computing kpt #: 373 total cpu time spent up to now is 57.7 secs Computing kpt #: 374 total cpu time spent up to now is 57.8 secs Computing kpt #: 375 total cpu time spent up to now is 58.0 secs Computing kpt #: 376 total cpu time spent up to now is 58.1 secs Computing kpt #: 377 total cpu time spent up to now is 58.2 secs Computing kpt #: 378 total cpu time spent up to now is 58.4 secs Computing kpt #: 379 total cpu time spent up to now is 58.5 secs Computing kpt #: 380 total cpu time spent up to now is 58.6 secs Computing kpt #: 381 total cpu time spent up to now is 58.8 secs Computing kpt #: 382 total cpu time spent up to now is 59.0 secs Computing kpt #: 383 total cpu time spent up to now is 59.2 secs Computing kpt #: 384 total cpu time spent up to now is 59.3 secs Computing kpt #: 385 total cpu time spent up to now is 59.4 secs Computing kpt #: 386 total cpu time spent up to now is 59.5 secs Computing kpt #: 387 total cpu time spent up to now is 59.7 secs Computing kpt #: 388 total cpu time spent up to now is 59.8 secs Computing kpt #: 389 total cpu time spent up to now is 59.9 secs Computing kpt #: 390 total cpu time spent up to now is 60.0 secs Computing kpt #: 391 total cpu time spent up to now is 60.2 secs Computing kpt #: 392 total cpu time spent up to now is 60.3 secs Computing kpt #: 393 total cpu time spent up to now is 60.4 secs Computing kpt #: 394 total cpu time spent up to now is 60.6 secs Computing kpt #: 395 total cpu time spent up to now is 60.7 secs Computing kpt #: 396 total cpu time spent up to now is 60.8 secs Computing kpt #: 397 total cpu time spent up to now is 61.0 secs Computing kpt #: 398 total cpu time spent up to now is 61.1 secs Computing kpt #: 399 total cpu time spent up to now is 61.3 secs Computing kpt #: 400 total cpu time spent up to now is 61.5 secs Computing kpt #: 401 total cpu time spent up to now is 61.7 secs Computing kpt #: 402 total cpu time spent up to now is 61.9 secs Computing kpt #: 403 total cpu time spent up to now is 62.1 secs Computing kpt #: 404 total cpu time spent up to now is 62.3 secs Computing kpt #: 405 total cpu time spent up to now is 62.5 secs Computing kpt #: 406 total cpu time spent up to now is 62.7 secs Computing kpt #: 407 total cpu time spent up to now is 62.9 secs Computing kpt #: 408 total cpu time spent up to now is 63.1 secs Computing kpt #: 409 total cpu time spent up to now is 63.3 secs Computing kpt #: 410 total cpu time spent up to now is 63.4 secs Computing kpt #: 411 total cpu time spent up to now is 63.6 secs Computing kpt #: 412 total cpu time spent up to now is 63.8 secs Computing kpt #: 413 total cpu time spent up to now is 64.0 secs Computing kpt #: 414 total cpu time spent up to now is 64.2 secs Computing kpt #: 415 total cpu time spent up to now is 64.4 secs Computing kpt #: 416 total cpu time spent up to now is 64.5 secs Computing kpt #: 417 total cpu time spent up to now is 64.7 secs Computing kpt #: 418 total cpu time spent up to now is 64.9 secs Computing kpt #: 419 total cpu time spent up to now is 65.1 secs Computing kpt #: 420 total cpu time spent up to now is 65.3 secs Computing kpt #: 421 total cpu time spent up to now is 65.5 secs Computing kpt #: 422 total cpu time spent up to now is 65.7 secs Computing kpt #: 423 total cpu time spent up to now is 65.8 secs Computing kpt #: 424 total cpu time spent up to now is 66.0 secs Computing kpt #: 425 total cpu time spent up to now is 66.2 secs Computing kpt #: 426 total cpu time spent up to now is 66.4 secs Computing kpt #: 427 total cpu time spent up to now is 66.6 secs Computing kpt #: 428 total cpu time spent up to now is 66.8 secs Computing kpt #: 429 total cpu time spent up to now is 67.0 secs Computing kpt #: 430 total cpu time spent up to now is 67.2 secs Computing kpt #: 431 total cpu time spent up to now is 67.3 secs Computing kpt #: 432 total cpu time spent up to now is 67.5 secs Computing kpt #: 433 total cpu time spent up to now is 67.7 secs Computing kpt #: 434 total cpu time spent up to now is 67.9 secs Computing kpt #: 435 total cpu time spent up to now is 68.1 secs Computing kpt #: 436 total cpu time spent up to now is 68.2 secs Computing kpt #: 437 total cpu time spent up to now is 68.4 secs Computing kpt #: 438 total cpu time spent up to now is 68.6 secs Computing kpt #: 439 total cpu time spent up to now is 68.7 secs Computing kpt #: 440 total cpu time spent up to now is 68.9 secs Computing kpt #: 441 total cpu time spent up to now is 69.0 secs Computing kpt #: 442 total cpu time spent up to now is 69.2 secs Computing kpt #: 443 total cpu time spent up to now is 69.4 secs Computing kpt #: 444 total cpu time spent up to now is 69.5 secs Computing kpt #: 445 total cpu time spent up to now is 69.7 secs ethr = 5.00E-08, avg # of iterations = 23.0 total cpu time spent up to now is 69.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1325 PWs) bands (ev): -31.0374 -31.0374 -13.0468 -13.0468 -12.2792 -12.2792 -11.9525 -11.9525 -11.7873 -11.7873 0.1391 0.1391 1.7777 1.7777 3.2459 3.2459 3.2629 3.2629 9.0031 9.0031 9.0129 9.0129 11.8677 11.8677 12.5715 12.5715 13.8772 13.8772 k = 0.0000 0.0000 0.0123 ( 1325 PWs) bands (ev): -31.0373 -31.0373 -13.0482 -13.0482 -12.2785 -12.2785 -11.9519 -11.9519 -11.7873 -11.7873 0.1386 0.1386 1.7776 1.7776 3.2450 3.2450 3.2621 3.2621 9.0033 9.0033 9.0133 9.0133 11.8699 11.8699 12.5743 12.5743 13.8794 13.8794 k = 0.0000 0.0000 0.0246 ( 1333 PWs) bands (ev): -31.0372 -31.0372 -13.0524 -13.0524 -12.2764 -12.2764 -11.9501 -11.9501 -11.7872 -11.7872 0.1373 0.1373 1.7773 1.7773 3.2422 3.2422 3.2599 3.2599 9.0009 9.0009 9.0175 9.0175 11.8767 11.8767 12.5824 12.5824 13.8857 13.8857 k = 0.0000 0.0000 0.0369 ( 1333 PWs) bands (ev): -31.0371 -31.0371 -13.0592 -13.0592 -12.2729 -12.2729 -11.9469 -11.9469 -11.7869 -11.7869 0.1351 0.1351 1.7768 1.7768 3.2372 3.2372 3.2567 3.2567 8.9941 8.9941 9.0275 9.0275 11.8879 11.8879 12.5959 12.5959 13.8964 13.8964 k = 0.0000 0.0000 0.0492 ( 1333 PWs) bands (ev): -31.0368 -31.0368 -13.0684 -13.0684 -12.2683 -12.2683 -11.9425 -11.9425 -11.7866 -11.7866 0.1321 0.1321 1.7761 1.7761 3.2296 3.2296 3.2529 3.2529 8.9837 8.9837 9.0422 9.0422 11.9037 11.9037 12.6146 12.6146 13.9116 13.9116 k = 0.0000 0.0000 0.0615 ( 1333 PWs) bands (ev): -31.0365 -31.0365 -13.0798 -13.0798 -12.2629 -12.2629 -11.9369 -11.9369 -11.7860 -11.7860 0.1283 0.1283 1.7752 1.7752 3.2194 3.2194 3.2488 3.2488 8.9702 8.9702 9.0614 9.0614 11.9239 11.9239 12.6380 12.6380 13.9313 13.9313 k = 0.0000 0.0000 0.0738 ( 1335 PWs) bands (ev): -31.0361 -31.0361 -13.0931 -13.0931 -12.2570 -12.2570 -11.9301 -11.9301 -11.7853 -11.7853 0.1236 0.1236 1.7740 1.7740 3.2070 3.2070 3.2443 3.2443 8.9537 8.9537 9.0848 9.0848 11.9485 11.9485 12.6659 12.6659 13.9555 13.9555 k = 0.0000 0.0000 0.0861 ( 1341 PWs) bands (ev): -31.0357 -31.0357 -13.1081 -13.1081 -12.2510 -12.2510 -11.9223 -11.9223 -11.7843 -11.7843 0.1181 0.1181 1.7725 1.7725 3.1925 3.1925 3.2393 3.2393 8.9344 8.9344 9.1122 9.1122 11.9774 11.9774 12.6978 12.6978 13.9845 13.9845 k = 0.0000 0.0000 0.0984 ( 1339 PWs) bands (ev): -31.0352 -31.0352 -13.1244 -13.1244 -12.2449 -12.2449 -11.9136 -11.9136 -11.7827 -11.7827 0.1119 0.1119 1.7706 1.7706 3.1764 3.1764 3.2339 3.2339 8.9124 8.9124 9.1438 9.1438 12.0106 12.0106 12.7334 12.7334 14.0185 14.0185 k = 0.0000 0.0000 0.1107 ( 1339 PWs) bands (ev): -31.0346 -31.0346 -13.1417 -13.1417 -12.2392 -12.2392 -11.9043 -11.9043 -11.7805 -11.7805 0.1050 0.1050 1.7684 1.7684 3.1589 3.1589 3.2280 3.2280 8.8877 8.8877 9.1793 9.1793 12.0480 12.0480 12.7720 12.7720 14.0573 14.0573 k = 0.0000 0.0000 0.1230 ( 1343 PWs) bands (ev): -31.0340 -31.0340 -13.1599 -13.1599 -12.2339 -12.2339 -11.8947 -11.8947 -11.7775 -11.7775 0.0974 0.0974 1.7657 1.7657 3.1404 3.1404 3.2216 3.2216 8.8606 8.8606 9.2186 9.2186 12.0894 12.0894 12.8132 12.8132 14.1013 14.1013 k = 0.0000 0.0000 0.1353 ( 1341 PWs) bands (ev): -31.0333 -31.0333 -13.1785 -13.1785 -12.2292 -12.2292 -11.8853 -11.8853 -11.7733 -11.7733 0.0892 0.0892 1.7626 1.7626 3.1213 3.1213 3.2147 3.2147 8.8312 8.8312 9.2617 9.2617 12.1349 12.1349 12.8565 12.8565 14.1506 14.1506 k = 0.0000 0.0000 0.1476 ( 1345 PWs) bands (ev): -31.0326 -31.0326 -13.1974 -13.1974 -12.2252 -12.2252 -11.8765 -11.8765 -11.7678 -11.7678 0.0804 0.0804 1.7590 1.7590 3.1019 3.1019 3.2074 3.2074 8.7995 8.7995 9.3082 9.3082 12.1841 12.1841 12.9013 12.9013 14.2050 14.2050 k = 0.0000 0.0000 0.1599 ( 1345 PWs) bands (ev): -31.0318 -31.0318 -13.2164 -13.2164 -12.2218 -12.2218 -11.8687 -11.8687 -11.7606 -11.7606 0.0711 0.0711 1.7548 1.7548 3.0825 3.0825 3.1996 3.1996 8.7658 8.7658 9.3582 9.3582 12.2372 12.2372 12.9471 12.9471 14.2646 14.2646 k = 0.0000 0.0000 0.1722 ( 1343 PWs) bands (ev): -31.0310 -31.0310 -13.2352 -13.2352 -12.2192 -12.2192 -11.8623 -11.8623 -11.7518 -11.7518 0.0613 0.0613 1.7501 1.7501 3.0634 3.0634 3.1916 3.1916 8.7303 8.7303 9.4115 9.4115 12.2941 12.2941 12.9936 12.9936 14.3294 14.3294 k = 0.0000 0.0000 0.1845 ( 1343 PWs) bands (ev): -31.0301 -31.0301 -13.2538 -13.2538 -12.2173 -12.2173 -11.8574 -11.8574 -11.7414 -11.7414 0.0511 0.0511 1.7449 1.7449 3.0449 3.0449 3.1832 3.1832 8.6929 8.6929 9.4678 9.4678 12.3543 12.3543 13.0404 13.0404 14.3991 14.3991 k = 0.0000 0.0000 0.1968 ( 1343 PWs) bands (ev): -31.0291 -31.0291 -13.2719 -13.2719 -12.2160 -12.2160 -11.8539 -11.8539 -11.7298 -11.7298 0.0405 0.0405 1.7392 1.7392 3.0273 3.0273 3.1745 3.1745 8.6540 8.6540 9.5271 9.5271 12.4179 12.4179 13.0872 13.0872 14.4734 14.4734 k = 0.0000 0.0000 0.2091 ( 1349 PWs) bands (ev): -31.0281 -31.0281 -13.2895 -13.2895 -12.2153 -12.2153 -11.8515 -11.8515 -11.7173 -11.7173 0.0296 0.0296 1.7329 1.7329 3.0108 3.0108 3.1655 3.1655 8.6136 8.6136 9.5890 9.5890 12.4847 12.4847 13.1337 13.1337 14.5520 14.5520 k = 0.0000 0.0000 0.2214 ( 1349 PWs) bands (ev): -31.0271 -31.0271 -13.3064 -13.3064 -12.2152 -12.2152 -11.8502 -11.8502 -11.7044 -11.7044 0.0184 0.0184 1.7262 1.7262 2.9958 2.9958 3.1564 3.1564 8.5719 8.5719 9.6534 9.6534 12.5547 12.5547 13.1798 13.1798 14.6346 14.6346 k = 0.0000 0.0000 0.2337 ( 1349 PWs) bands (ev): -31.0260 -31.0260 -13.3225 -13.3225 -12.2156 -12.2156 -11.8497 -11.8497 -11.6914 -11.6914 0.0069 0.0069 1.7192 1.7192 2.9822 2.9822 3.1471 3.1471 8.5291 8.5291 9.7201 9.7201 12.6275 12.6275 13.2253 13.2253 14.7205 14.7205 k = 0.0000 0.0000 0.2460 ( 1344 PWs) bands (ev): -31.0249 -31.0249 -13.3376 -13.3376 -12.2165 -12.2165 -11.8497 -11.8497 -11.6787 -11.6787 -0.0047 -0.0047 1.7119 1.7119 2.9703 2.9703 3.1378 3.1378 8.4853 8.4853 9.7888 9.7888 12.7030 12.7030 13.2704 13.2704 14.8093 14.8093 k = 0.0000 0.0000 0.2583 ( 1348 PWs) bands (ev): -31.0237 -31.0237 -13.3518 -13.3518 -12.2178 -12.2178 -11.8503 -11.8503 -11.6667 -11.6667 -0.0164 -0.0164 1.7045 1.7045 2.9601 2.9601 3.1283 3.1283 8.4407 8.4407 9.8593 9.8593 12.7810 12.7810 13.3148 13.3148 14.9004 14.9004 k = 0.0000 0.0000 0.2706 ( 1352 PWs) bands (ev): -31.0226 -31.0226 -13.3649 -13.3649 -12.2195 -12.2195 -11.8513 -11.8513 -11.6555 -11.6555 -0.0282 -0.0282 1.6971 1.6971 2.9518 2.9518 3.1189 3.1189 8.3954 8.3954 9.9312 9.9312 12.8614 12.8614 13.3586 13.3586 14.9930 14.9930 k = 0.0000 0.0000 0.2829 ( 1344 PWs) bands (ev): -31.0213 -31.0213 -13.3769 -13.3769 -12.2215 -12.2215 -11.8526 -11.8526 -11.6453 -11.6453 -0.0400 -0.0400 1.6899 1.6899 2.9453 2.9453 3.1094 3.1094 8.3496 8.3496 10.0045 10.0045 12.9441 12.9441 13.4018 13.4018 15.0865 15.0865 k = 0.0000 0.0000 0.2952 ( 1344 PWs) bands (ev): -31.0201 -31.0201 -13.3877 -13.3877 -12.2238 -12.2238 -11.8542 -11.8542 -11.6364 -11.6364 -0.0518 -0.0518 1.6830 1.6830 2.9407 2.9407 3.1000 3.1000 8.3034 8.3034 10.0785 10.0785 13.0288 13.0288 13.4444 13.4444 15.1495 15.1495 k = 0.0000 0.0000 0.3075 ( 1342 PWs) bands (ev): -31.0188 -31.0188 -13.3972 -13.3972 -12.2264 -12.2264 -11.8560 -11.8560 -11.6288 -11.6288 -0.0635 -0.0635 1.6767 1.6767 2.9378 2.9378 3.0907 3.0907 8.2569 8.2569 10.1532 10.1532 13.1153 13.1153 13.4864 13.4864 15.0884 15.0884 k = 0.0000 0.0000 0.3198 ( 1342 PWs) bands (ev): -31.0176 -31.0176 -13.4055 -13.4055 -12.2293 -12.2293 -11.8580 -11.8580 -11.6227 -11.6227 -0.0752 -0.0752 1.6710 1.6710 2.9366 2.9366 3.0815 3.0815 8.2102 8.2102 10.2280 10.2280 13.2033 13.2033 13.5279 13.5279 15.0290 15.0290 k = 0.0000 0.0000 0.3321 ( 1342 PWs) bands (ev): -31.0163 -31.0163 -13.4124 -13.4124 -12.2324 -12.2324 -11.8602 -11.8602 -11.6183 -11.6183 -0.0867 -0.0867 1.6661 1.6661 2.9371 2.9371 3.0724 3.0724 8.1635 8.1635 10.3028 10.3028 13.2927 13.2927 13.5689 13.5689 14.9723 14.9723 k = 0.0000 0.0000 0.3444 ( 1350 PWs) bands (ev): -31.0150 -31.0150 -13.4179 -13.4179 -12.2358 -12.2358 -11.8626 -11.8626 -11.6155 -11.6155 -0.0980 -0.0980 1.6623 1.6623 2.9391 2.9391 3.0636 3.0636 8.1169 8.1169 10.3769 10.3769 13.3832 13.3832 13.6093 13.6093 14.9185 14.9185 k = 0.0000 0.0000 0.3567 ( 1350 PWs) bands (ev): -31.0137 -31.0137 -13.4220 -13.4220 -12.2393 -12.2393 -11.8651 -11.8651 -11.6145 -11.6145 -0.1091 -0.1091 1.6596 1.6596 2.9426 2.9426 3.0549 3.0549 8.0706 8.0706 10.4502 10.4502 13.4746 13.4746 13.6492 13.6492 14.8683 14.8683 k = 0.0000 0.0000 0.3690 ( 1358 PWs) bands (ev): -31.0124 -31.0124 -13.4247 -13.4247 -12.2430 -12.2430 -11.8678 -11.8678 -11.6154 -11.6154 -0.1200 -0.1200 1.6583 1.6583 2.9473 2.9473 3.0464 3.0464 8.0246 8.0246 10.5222 10.5222 13.5667 13.5667 13.6885 13.6885 14.8219 14.8219 k = 0.0000 0.0000 0.3813 ( 1358 PWs) bands (ev): -31.0111 -31.0111 -13.4260 -13.4260 -12.2469 -12.2469 -11.8705 -11.8705 -11.6180 -11.6180 -0.1307 -0.1307 1.6584 1.6584 2.9532 2.9532 3.0382 3.0382 7.9790 7.9790 10.5924 10.5924 13.6593 13.6593 13.7274 13.7274 14.7798 14.7798 k = 0.0000 0.0000 0.3936 ( 1358 PWs) bands (ev): -31.0098 -31.0098 -13.4257 -13.4257 -12.2508 -12.2508 -11.8734 -11.8734 -11.6224 -11.6224 -0.1410 -0.1410 1.6600 1.6600 2.9603 2.9603 3.0303 3.0303 7.9339 7.9339 10.6605 10.6605 13.7513 13.7513 13.7664 13.7664 14.7424 14.7424 k = 0.0000 0.0000 0.4059 ( 1356 PWs) bands (ev): -31.0085 -31.0085 -13.4240 -13.4240 -12.2549 -12.2549 -11.8764 -11.8764 -11.6286 -11.6286 -0.1511 -0.1511 1.6632 1.6632 2.9682 2.9682 3.0226 3.0226 7.8895 7.8895 10.7260 10.7260 13.8024 13.8024 13.8457 13.8457 14.7101 14.7101 k = 0.0000 0.0000 0.4182 ( 1348 PWs) bands (ev): -31.0071 -31.0071 -13.4208 -13.4208 -12.2591 -12.2591 -11.8794 -11.8794 -11.6366 -11.6366 -0.1608 -0.1608 1.6681 1.6681 2.9769 2.9769 3.0153 3.0153 7.8457 7.8457 10.7887 10.7887 13.8393 13.8393 13.9381 13.9381 14.6831 14.6831 k = 0.0000 0.0000 0.4305 ( 1348 PWs) bands (ev): -31.0059 -31.0059 -13.4161 -13.4161 -12.2634 -12.2634 -11.8827 -11.8827 -11.6465 -11.6465 -0.1702 -0.1702 1.6747 1.6747 2.9863 2.9863 3.0083 3.0083 7.8028 7.8028 10.8479 10.8479 13.8752 13.8752 14.0301 14.0301 14.6617 14.6617 k = 0.0000 0.0000 0.4428 ( 1348 PWs) bands (ev): -31.0046 -31.0046 -13.4099 -13.4099 -12.2679 -12.2679 -11.8861 -11.8861 -11.6580 -11.6580 -0.1792 -0.1792 1.6831 1.6831 2.9955 2.9955 3.0022 3.0022 7.7607 7.7607 10.9034 10.9034 13.9101 13.9101 14.1214 14.1214 14.6462 14.6462 k = 0.0000 0.0000 0.4550 ( 1348 PWs) bands (ev): -31.0033 -31.0033 -13.4022 -13.4022 -12.2724 -12.2724 -11.8896 -11.8896 -11.6711 -11.6711 -0.1879 -0.1879 1.6931 1.6931 2.9943 2.9943 3.0074 3.0074 7.7196 7.7196 10.9549 10.9549 13.9440 13.9440 14.2116 14.2116 14.6368 14.6368 k = 0.0000 0.0000 0.4673 ( 1348 PWs) bands (ev): -31.0021 -31.0021 -13.3931 -13.3931 -12.2771 -12.2771 -11.8934 -11.8934 -11.6857 -11.6857 -0.1962 -0.1962 1.7048 1.7048 2.9883 2.9883 3.0179 3.0179 7.6795 7.6795 11.0022 11.0022 13.9767 13.9767 14.3005 14.3005 14.6336 14.6336 k = 0.0000 0.0000 0.4796 ( 1352 PWs) bands (ev): -31.0009 -31.0009 -13.3825 -13.3825 -12.2818 -12.2818 -11.8976 -11.8976 -11.7018 -11.7018 -0.2041 -0.2041 1.7180 1.7180 2.9826 2.9826 3.0288 3.0288 7.6406 7.6406 11.0449 11.0449 14.0082 14.0082 14.3879 14.3879 14.6365 14.6365 k = 0.0000 0.0000 0.4919 ( 1352 PWs) bands (ev): -30.9997 -30.9997 -13.3705 -13.3705 -12.2867 -12.2867 -11.9020 -11.9020 -11.7189 -11.7189 -0.2117 -0.2117 1.7328 1.7328 2.9770 2.9770 3.0399 3.0399 7.6027 7.6027 11.0833 11.0833 14.0383 14.0383 14.4736 14.4736 14.6456 14.6456 k = 0.0000 0.0000 0.5042 ( 1364 PWs) bands (ev): -30.9986 -30.9986 -13.3571 -13.3571 -12.2918 -12.2918 -11.9071 -11.9071 -11.7370 -11.7370 -0.2188 -0.2188 1.7491 1.7491 2.9718 2.9718 3.0509 3.0509 7.5661 7.5661 11.1169 11.1169 14.0669 14.0669 14.5570 14.5570 14.6607 14.6607 k = 0.0000 0.0000 0.5165 ( 1364 PWs) bands (ev): -30.9974 -30.9974 -13.3423 -13.3423 -12.2970 -12.2970 -11.9128 -11.9128 -11.7557 -11.7557 -0.2256 -0.2256 1.7666 1.7666 2.9669 2.9669 3.0619 3.0619 7.5307 7.5307 11.1462 11.1462 14.0940 14.0940 14.6380 14.6380 14.6818 14.6818 k = 0.0000 0.0000 0.5288 ( 1360 PWs) bands (ev): -30.9964 -30.9964 -13.3262 -13.3262 -12.3023 -12.3023 -11.9194 -11.9194 -11.7746 -11.7746 -0.2320 -0.2320 1.7853 1.7853 2.9623 2.9623 3.0728 3.0728 7.4967 7.4967 11.1711 11.1711 14.1193 14.1193 14.7058 14.7058 14.7192 14.7192 k = 0.0000 0.0000 0.5411 ( 1356 PWs) bands (ev): -30.9953 -30.9953 -13.3087 -13.3087 -12.3079 -12.3079 -11.9274 -11.9274 -11.7931 -11.7931 -0.2380 -0.2380 1.8050 1.8050 2.9580 2.9580 3.0834 3.0834 7.4641 7.4641 11.1919 11.1919 14.1429 14.1429 14.7384 14.7384 14.7939 14.7939 k = 0.0000 0.0000 0.5534 ( 1360 PWs) bands (ev): -30.9943 -30.9943 -13.2900 -13.2900 -12.3137 -12.3137 -11.9373 -11.9373 -11.8107 -11.8107 -0.2437 -0.2437 1.8256 1.8256 2.9540 2.9540 3.0936 3.0936 7.4328 7.4328 11.2087 11.2087 14.1645 14.1645 14.7740 14.7740 14.8669 14.8669 k = 0.0000 0.0000 0.5657 ( 1364 PWs) bands (ev): -30.9933 -30.9933 -13.2702 -13.2702 -12.3199 -12.3199 -11.9493 -11.9493 -11.8267 -11.8267 -0.2490 -0.2490 1.8468 1.8468 2.9502 2.9502 3.1034 3.1034 7.4030 7.4030 11.2219 11.2219 14.1841 14.1841 14.8133 14.8133 14.9369 14.9369 k = 0.0000 0.0000 0.5780 ( 1364 PWs) bands (ev): -30.9924 -30.9924 -13.2492 -13.2492 -12.3264 -12.3264 -11.9638 -11.9638 -11.8406 -11.8406 -0.2539 -0.2539 1.8685 1.8685 2.9468 2.9468 3.1128 3.1128 7.3748 7.3748 11.2318 11.2318 14.2018 14.2018 14.8558 14.8558 15.0036 15.0036 k = 0.0000 0.0000 0.5903 ( 1360 PWs) bands (ev): -30.9915 -30.9915 -13.2272 -13.2272 -12.3334 -12.3334 -11.9809 -11.9809 -11.8521 -11.8521 -0.2585 -0.2585 1.8905 1.8905 2.9436 2.9436 3.1218 3.1218 7.3480 7.3480 11.2390 11.2390 14.2173 14.2173 14.9007 14.9007 15.0668 15.0668 k = 0.0000 0.0000 0.6026 ( 1364 PWs) bands (ev): -30.9907 -30.9907 -13.2043 -13.2043 -12.3411 -12.3411 -12.0000 -12.0000 -11.8615 -11.8615 -0.2627 -0.2627 1.9124 1.9124 2.9407 2.9407 3.1301 3.1301 7.3229 7.3229 11.2435 11.2435 14.2308 14.2308 14.9473 14.9473 15.1264 15.1264 k = 0.0000 0.0000 0.6149 ( 1364 PWs) bands (ev): -30.9899 -30.9899 -13.1805 -13.1805 -12.3495 -12.3495 -12.0205 -12.0205 -11.8690 -11.8690 -0.2666 -0.2666 1.9342 1.9342 2.9380 2.9380 3.1379 3.1379 7.2993 7.2993 11.2459 11.2459 14.2423 14.2423 14.9948 14.9948 15.1823 15.1823 k = 0.0000 0.0000 0.6272 ( 1364 PWs) bands (ev): -30.9892 -30.9892 -13.1561 -13.1561 -12.3587 -12.3587 -12.0418 -12.0418 -11.8750 -11.8750 -0.2701 -0.2701 1.9556 1.9556 2.9356 2.9356 3.1450 3.1450 7.2774 7.2774 11.2466 11.2466 14.2519 14.2519 15.0426 15.0426 15.2343 15.2343 k = 0.0000 0.0000 0.6395 ( 1364 PWs) bands (ev): -30.9885 -30.9885 -13.1311 -13.1311 -12.3689 -12.3689 -12.0630 -12.0630 -11.8798 -11.8798 -0.2733 -0.2733 1.9764 1.9764 2.9334 2.9334 3.1516 3.1516 7.2571 7.2571 11.2459 11.2459 14.2596 14.2596 15.0899 15.0899 15.2824 15.2824 k = 0.0000 0.0000 0.6518 ( 1360 PWs) bands (ev): -30.9878 -30.9878 -13.1058 -13.1058 -12.3803 -12.3803 -12.0835 -12.0835 -11.8838 -11.8838 -0.2762 -0.2762 1.9963 1.9963 2.9314 2.9314 3.1575 3.1575 7.2385 7.2385 11.2441 11.2441 14.2657 14.2657 15.1359 15.1359 15.3264 15.3264 k = 0.0000 0.0000 0.6641 ( 1360 PWs) bands (ev): -30.9873 -30.9873 -13.0804 -13.0804 -12.3928 -12.3928 -12.1029 -12.1029 -11.8870 -11.8870 -0.2788 -0.2788 2.0152 2.0152 2.9297 2.9297 3.1628 3.1628 7.2217 7.2217 11.2416 11.2416 14.2702 14.2702 15.1800 15.1800 15.3663 15.3663 k = 0.0000 0.0000 0.6764 ( 1360 PWs) bands (ev): -30.9868 -30.9868 -13.0551 -13.0551 -12.4066 -12.4066 -12.1206 -12.1206 -11.8897 -11.8897 -0.2811 -0.2811 2.0327 2.0327 2.9281 2.9281 3.1674 3.1674 7.2065 7.2065 11.2386 11.2386 14.2735 14.2735 15.2214 15.2214 15.4021 15.4021 k = 0.0000 0.0000 0.6887 ( 1356 PWs) bands (ev): -30.9863 -30.9863 -13.0304 -13.0304 -12.4212 -12.4212 -12.1363 -12.1363 -11.8920 -11.8920 -0.2832 -0.2832 2.0487 2.0487 2.9268 2.9268 3.1715 3.1715 7.1931 7.1931 11.2353 11.2353 14.2756 14.2756 15.2597 15.2597 15.4337 15.4337 k = 0.0000 0.0000 0.7010 ( 1352 PWs) bands (ev): -30.9859 -30.9859 -13.0067 -13.0067 -12.4365 -12.4365 -12.1499 -12.1499 -11.8938 -11.8938 -0.2849 -0.2849 2.0631 2.0631 2.9257 2.9257 3.1749 3.1749 7.1815 7.1815 11.2321 11.2321 14.2769 14.2769 15.2943 15.2943 15.4611 15.4611 k = 0.0000 0.0000 0.7133 ( 1352 PWs) bands (ev): -30.9856 -30.9856 -12.9846 -12.9846 -12.4518 -12.4518 -12.1612 -12.1612 -11.8953 -11.8953 -0.2863 -0.2863 2.0756 2.0756 2.9247 2.9247 3.1778 3.1778 7.1716 7.1716 11.2290 11.2290 14.2776 14.2776 15.3243 15.3243 15.4843 15.4843 k = 0.0000 0.0000 0.7256 ( 1352 PWs) bands (ev): -30.9853 -30.9853 -12.9646 -12.9646 -12.4664 -12.4664 -12.1703 -12.1703 -11.8965 -11.8965 -0.2875 -0.2875 2.0860 2.0860 2.9239 2.9239 3.1801 3.1801 7.1635 7.1635 11.2263 11.2263 14.2777 14.2777 15.3496 15.3496 15.5033 15.5033 k = 0.0000 0.0000 0.7379 ( 1348 PWs) bands (ev): -30.9850 -30.9850 -12.9477 -12.9477 -12.4794 -12.4794 -12.1772 -12.1772 -11.8974 -11.8974 -0.2884 -0.2884 2.0942 2.0942 2.9233 2.9233 3.1819 3.1819 7.1572 7.1572 11.2241 11.2241 14.2777 14.2777 15.3696 15.3696 15.5180 15.5181 k = 0.0000 0.0000 0.7502 ( 1344 PWs) bands (ev): -30.9849 -30.9849 -12.9347 -12.9347 -12.4896 -12.4896 -12.1821 -12.1821 -11.8980 -11.8980 -0.2891 -0.2891 2.1002 2.1002 2.9229 2.9229 3.1832 3.1832 7.1527 7.1527 11.2225 11.2225 14.2776 14.2776 15.3842 15.3842 15.5286 15.5286 k = 0.0000 0.0000 0.7625 ( 1338 PWs) bands (ev): -30.9848 -30.9848 -12.9265 -12.9265 -12.4962 -12.4962 -12.1849 -12.1849 -11.8983 -11.8983 -0.2895 -0.2895 2.1039 2.1039 2.9227 2.9227 3.1839 3.1839 7.1500 7.1500 11.2215 11.2215 14.2774 14.2774 15.3931 15.3931 15.5350 15.5350 k = 0.0000 0.0000 0.7748 ( 1338 PWs) bands (ev): -30.9848 -30.9848 -12.9237 -12.9237 -12.4985 -12.4985 -12.1858 -12.1858 -11.8985 -11.8985 -0.2896 -0.2896 2.1051 2.1051 2.9226 2.9226 3.1841 3.1841 7.1491 7.1491 11.2211 11.2211 14.2774 14.2774 15.3960 15.3960 15.5371 15.5371 k = 0.0000 0.0000 0.7748 ( 1338 PWs) bands (ev): -30.9848 -30.9848 -12.9237 -12.9237 -12.4985 -12.4985 -12.1858 -12.1858 -11.8985 -11.8985 -0.2896 -0.2896 2.1051 2.1051 2.9226 2.9226 3.1841 3.1841 7.1491 7.1491 11.2211 11.2211 14.2774 14.2774 15.3960 15.3960 15.5371 15.5371 k =-0.0078 0.0092 0.7748 ( 1338 PWs) bands (ev): -30.9848 -30.9848 -12.9258 -12.9258 -12.4974 -12.4974 -12.1845 -12.1845 -11.8985 -11.8985 -0.2904 -0.2904 2.1053 2.1053 2.9197 2.9197 3.1861 3.1861 7.1519 7.1519 11.2214 11.2214 14.2793 14.2793 15.3958 15.3958 15.5322 15.5322 k =-0.0155 0.0184 0.7748 ( 1342 PWs) bands (ev): -30.9848 -30.9848 -12.9320 -12.9320 -12.4943 -12.4943 -12.1804 -12.1804 -11.8985 -11.8985 -0.2928 -0.2928 2.1061 2.1061 2.9114 2.9114 3.1919 3.1919 7.1602 7.1602 11.2223 11.2223 14.2850 14.2850 15.3952 15.3952 15.5174 15.5174 k =-0.0233 0.0275 0.7748 ( 1344 PWs) bands (ev): -30.9849 -30.9849 -12.9420 -12.9420 -12.4894 -12.4894 -12.1737 -12.1737 -11.8985 -11.8985 -0.2967 -0.2967 2.1074 2.1074 2.8982 2.8982 3.2008 3.2008 7.1741 7.1741 11.2238 11.2238 14.2944 14.2944 15.3941 15.3941 15.4932 15.4932 k =-0.0310 0.0367 0.7748 ( 1348 PWs) bands (ev): -30.9850 -30.9850 -12.9552 -12.9552 -12.4833 -12.4833 -12.1644 -12.1644 -11.8984 -11.8984 -0.3022 -0.3022 2.1091 2.1091 2.8810 2.8810 3.2121 3.2121 7.1935 7.1935 11.2259 11.2259 14.3074 14.3074 15.3925 15.3925 15.4601 15.4601 k =-0.0388 0.0459 0.7748 ( 1348 PWs) bands (ev): -30.9851 -30.9851 -12.9712 -12.9712 -12.4762 -12.4762 -12.1527 -12.1527 -11.8982 -11.8982 -0.3093 -0.3093 2.1114 2.1114 2.8606 2.8606 3.2252 3.2252 7.2184 7.2184 11.2285 11.2285 14.3237 14.3237 15.3902 15.3902 15.4189 15.4189 k =-0.0465 0.0551 0.7748 ( 1348 PWs) bands (ev): -30.9853 -30.9853 -12.9893 -12.9893 -12.4687 -12.4687 -12.1389 -12.1389 -11.8978 -11.8978 -0.3177 -0.3177 2.1142 2.1142 2.8375 2.8375 3.2394 3.2394 7.2486 7.2486 11.2318 11.2318 14.3431 14.3431 15.3678 15.3678 15.3898 15.3898 k =-0.0543 0.0643 0.7748 ( 1348 PWs) bands (ev): -30.9854 -30.9854 -13.0090 -13.0090 -12.4611 -12.4611 -12.1232 -12.1232 -11.8972 -11.8972 -0.3276 -0.3276 2.1176 2.1176 2.8125 2.8125 3.2543 3.2543 7.2842 7.2842 11.2356 11.2356 14.3652 14.3652 15.3121 15.3121 15.3864 15.3864 k =-0.0621 0.0735 0.7748 ( 1344 PWs) bands (ev): -30.9856 -30.9856 -13.0299 -13.0299 -12.4536 -12.4536 -12.1060 -12.1060 -11.8961 -11.8961 -0.3389 -0.3389 2.1214 2.1214 2.7857 2.7857 3.2698 3.2698 7.3250 7.3250 11.2400 11.2400 14.3898 14.3898 15.2495 15.2495 15.3833 15.3833 k =-0.0698 0.0826 0.7748 ( 1346 PWs) bands (ev): -30.9858 -30.9858 -13.0515 -13.0515 -12.4464 -12.4464 -12.0879 -12.0879 -11.8944 -11.8944 -0.3514 -0.3514 2.1258 2.1258 2.7577 2.7577 3.2855 3.2855 7.3708 7.3708 11.2449 11.2449 14.4161 14.4161 15.1808 15.1808 15.3800 15.3800 k =-0.0776 0.0918 0.7748 ( 1346 PWs) bands (ev): -30.9861 -30.9861 -13.0736 -13.0736 -12.4395 -12.4395 -12.0695 -12.0695 -11.8919 -11.8919 -0.3651 -0.3651 2.1307 2.1307 2.7287 2.7287 3.3014 3.3014 7.4217 7.4217 11.2503 11.2503 14.4439 14.4439 15.1069 15.1069 15.3763 15.3763 k =-0.0853 0.1010 0.7748 ( 1342 PWs) bands (ev): -30.9864 -30.9864 -13.0959 -13.0959 -12.4329 -12.4329 -12.0514 -12.0514 -11.8880 -11.8880 -0.3799 -0.3799 2.1361 2.1361 2.6990 2.6990 3.3174 3.3174 7.4774 7.4774 11.2563 11.2563 14.4727 14.4727 15.0281 15.0281 15.3724 15.3724 k =-0.0931 0.1102 0.7748 ( 1346 PWs) bands (ev): -30.9867 -30.9867 -13.1180 -13.1180 -12.4267 -12.4267 -12.0345 -12.0345 -11.8825 -11.8825 -0.3957 -0.3957 2.1421 2.1421 2.6688 2.6688 3.3335 3.3335 7.5378 7.5378 11.2627 11.2627 14.5018 14.5018 14.9450 14.9450 15.3682 15.3682 k =-0.1008 0.1194 0.7748 ( 1342 PWs) bands (ev): -30.9870 -30.9870 -13.1399 -13.1399 -12.4208 -12.4208 -12.0193 -12.0193 -11.8746 -11.8746 -0.4125 -0.4125 2.1486 2.1486 2.6384 2.6384 3.3496 3.3496 7.6028 7.6028 11.2697 11.2697 14.5307 14.5307 14.8578 14.8578 15.3637 15.3637 k =-0.1086 0.1285 0.7748 ( 1342 PWs) bands (ev): -30.9873 -30.9873 -13.1613 -13.1613 -12.4152 -12.4152 -12.0067 -12.0067 -11.8641 -11.8641 -0.4302 -0.4302 2.1556 2.1556 2.6079 2.6079 3.3657 3.3657 7.6722 7.6722 11.2771 11.2771 14.5589 14.5589 14.7670 14.7670 15.3591 15.3591 k =-0.1163 0.1377 0.7748 ( 1342 PWs) bands (ev): -30.9877 -30.9877 -13.1821 -13.1821 -12.4097 -12.4097 -11.9970 -11.9970 -11.8509 -11.8509 -0.4486 -0.4486 2.1632 2.1632 2.5776 2.5776 3.3818 3.3818 7.7459 7.7459 11.2849 11.2849 14.5855 14.5855 14.6730 14.6730 15.3542 15.3542 k =-0.1241 0.1469 0.7748 ( 1338 PWs) bands (ev): -30.9881 -30.9881 -13.2022 -13.2022 -12.4045 -12.4045 -11.9900 -11.9900 -11.8353 -11.8353 -0.4677 -0.4677 2.1713 2.1713 2.5477 2.5477 3.3980 3.3980 7.8238 7.8238 11.2931 11.2931 14.5743 14.5743 14.6122 14.6122 15.3492 15.3492 k =-0.1319 0.1561 0.7748 ( 1336 PWs) bands (ev): -30.9885 -30.9885 -13.2215 -13.2215 -12.3994 -12.3994 -11.9854 -11.9854 -11.8178 -11.8178 -0.4873 -0.4873 2.1800 2.1800 2.5184 2.5184 3.4142 3.4142 7.9055 7.9055 11.3018 11.3018 14.4750 14.4750 14.6342 14.6342 15.3441 15.3441 k =-0.1396 0.1653 0.7748 ( 1344 PWs) bands (ev): -30.9889 -30.9889 -13.2398 -13.2398 -12.3945 -12.3945 -11.9828 -11.9828 -11.7992 -11.7992 -0.5075 -0.5075 2.1892 2.1892 2.4898 2.4898 3.4304 3.4304 7.9910 7.9910 11.3108 11.3108 14.3725 14.3725 14.6542 14.6542 15.3388 15.3388 k =-0.1474 0.1745 0.7748 ( 1352 PWs) bands (ev): -30.9894 -30.9894 -13.2572 -13.2572 -12.3898 -12.3898 -11.9816 -11.9816 -11.7800 -11.7800 -0.5281 -0.5281 2.1989 2.1989 2.4622 2.4622 3.4467 3.4467 8.0800 8.0800 11.3201 11.3201 14.2677 14.2677 14.6713 14.6713 15.3333 15.3333 k =-0.1551 0.1836 0.7748 ( 1356 PWs) bands (ev): -30.9899 -30.9899 -13.2735 -13.2735 -12.3851 -12.3851 -11.9815 -11.9815 -11.7608 -11.7608 -0.5490 -0.5490 2.2092 2.2092 2.4358 2.4358 3.4630 3.4630 8.1723 8.1723 11.3297 11.3297 14.1608 14.1608 14.6851 14.6852 15.3279 15.3279 k =-0.1629 0.1928 0.7748 ( 1356 PWs) bands (ev): -30.9904 -30.9904 -13.2887 -13.2887 -12.3805 -12.3805 -11.9822 -11.9822 -11.7418 -11.7418 -0.5701 -0.5701 2.2201 2.2201 2.4107 2.4107 3.4793 3.4793 8.2679 8.2679 11.3397 11.3397 14.0521 14.0521 14.6957 14.6957 15.3226 15.3226 k =-0.1706 0.2020 0.7748 ( 1360 PWs) bands (ev): -30.9909 -30.9909 -13.3026 -13.3026 -12.3760 -12.3760 -11.9835 -11.9835 -11.7236 -11.7236 -0.5914 -0.5914 2.2315 2.2315 2.3871 2.3871 3.4957 3.4957 8.3665 8.3665 11.3498 11.3498 13.9419 13.9419 14.7029 14.7029 15.3172 15.3172 k =-0.1784 0.2112 0.7748 ( 1360 PWs) bands (ev): -30.9914 -30.9914 -13.3153 -13.3153 -12.3715 -12.3715 -11.9852 -11.9852 -11.7062 -11.7062 -0.6127 -0.6127 2.2434 2.2434 2.3653 2.3653 3.5122 3.5122 8.4678 8.4678 11.3603 11.3603 13.8303 13.8303 14.7067 14.7067 15.3120 15.3120 k =-0.1784 0.2112 0.7748 ( 1360 PWs) bands (ev): -30.9914 -30.9914 -13.3153 -13.3153 -12.3715 -12.3715 -11.9852 -11.9852 -11.7062 -11.7062 -0.6127 -0.6127 2.2434 2.2434 2.3653 2.3653 3.5122 3.5122 8.4678 8.4678 11.3603 11.3603 13.8303 13.8303 14.7067 14.7067 15.3120 15.3120 k =-0.1839 0.2178 0.7662 ( 1360 PWs) bands (ev): -30.9918 -30.9918 -13.3242 -13.3242 -12.3680 -12.3680 -11.9865 -11.9865 -11.6942 -11.6942 -0.6279 -0.6279 2.2495 2.2495 2.3528 2.3528 3.5238 3.5238 8.5422 8.5422 11.3678 11.3678 13.7501 13.7501 14.7086 14.7086 15.3065 15.3065 k =-0.1895 0.2243 0.7576 ( 1358 PWs) bands (ev): -30.9922 -30.9922 -13.3334 -13.3334 -12.3638 -12.3638 -11.9878 -11.9878 -11.6823 -11.6823 -0.6429 -0.6429 2.2492 2.2492 2.3469 2.3469 3.5350 3.5350 8.6184 8.6184 11.3755 11.3755 13.6704 13.6704 14.7113 14.7113 15.2974 15.2974 k =-0.1950 0.2309 0.7490 ( 1364 PWs) bands (ev): -30.9926 -30.9926 -13.3430 -13.3430 -12.3590 -12.3590 -11.9889 -11.9889 -11.6706 -11.6706 -0.6576 -0.6576 2.2417 2.2417 2.3482 2.3482 3.5458 3.5458 8.6963 8.6963 11.3830 11.3830 13.5913 13.5913 14.7151 14.7151 15.2843 15.2843 k =-0.2006 0.2374 0.7404 ( 1363 PWs) bands (ev): -30.9931 -30.9931 -13.3528 -13.3528 -12.3535 -12.3535 -11.9899 -11.9899 -11.6592 -11.6592 -0.6720 -0.6720 2.2289 2.2289 2.3549 2.3549 3.5562 3.5562 8.7759 8.7759 11.3905 11.3905 13.5133 13.5133 14.7203 14.7203 15.2669 15.2669 k =-0.2061 0.2440 0.7319 ( 1361 PWs) bands (ev): -30.9935 -30.9935 -13.3628 -13.3628 -12.3476 -12.3476 -11.9906 -11.9906 -11.6481 -11.6481 -0.6861 -0.6861 2.2130 2.2130 2.3648 2.3648 3.5662 3.5662 8.8568 8.8568 11.3979 11.3979 13.4364 13.4364 14.7269 14.7269 15.2443 15.2443 k =-0.2117 0.2506 0.7233 ( 1359 PWs) bands (ev): -30.9940 -30.9940 -13.3729 -13.3729 -12.3412 -12.3412 -11.9912 -11.9912 -11.6374 -11.6374 -0.6998 -0.6998 2.1956 2.1956 2.3763 2.3763 3.5757 3.5757 8.9390 8.9390 11.4049 11.4049 13.3610 13.3610 14.7353 14.7353 15.2160 15.2160 k =-0.2172 0.2571 0.7147 ( 1357 PWs) bands (ev): -30.9945 -30.9945 -13.3831 -13.3831 -12.3344 -12.3344 -11.9916 -11.9916 -11.6270 -11.6270 -0.7132 -0.7132 2.1777 2.1777 2.3885 2.3885 3.5848 3.5848 9.0224 9.0224 11.4114 11.4114 13.2874 13.2874 14.7456 14.7456 15.1821 15.1821 k =-0.2228 0.2637 0.7061 ( 1359 PWs) bands (ev): -30.9950 -30.9950 -13.3932 -13.3932 -12.3274 -12.3274 -11.9918 -11.9918 -11.6172 -11.6172 -0.7261 -0.7261 2.1597 2.1597 2.4009 2.4009 3.5935 3.5935 9.1066 9.1066 11.4175 11.4175 13.2155 13.2155 14.7578 14.7578 15.1433 15.1433 k =-0.2283 0.2703 0.6975 ( 1359 PWs) bands (ev): -30.9955 -30.9955 -13.4033 -13.4033 -12.3202 -12.3202 -11.9916 -11.9916 -11.6078 -11.6078 -0.7386 -0.7386 2.1418 2.1418 2.4134 2.4134 3.6017 3.6017 9.1917 9.1917 11.4228 11.4228 13.1458 13.1458 14.7722 14.7722 15.1010 15.1010 k =-0.2338 0.2768 0.6889 ( 1361 PWs) bands (ev): -30.9960 -30.9960 -13.4133 -13.4133 -12.3129 -12.3129 -11.9913 -11.9913 -11.5990 -11.5990 -0.7507 -0.7507 2.1243 2.1243 2.4257 2.4257 3.6095 3.6095 9.2772 9.2772 11.4272 11.4272 13.0784 13.0784 14.7888 14.7888 15.0563 15.0563 k =-0.2394 0.2834 0.6803 ( 1365 PWs) bands (ev): -30.9964 -30.9964 -13.4231 -13.4231 -12.3056 -12.3056 -11.9907 -11.9907 -11.5906 -11.5906 -0.7622 -0.7622 2.1072 2.1072 2.4377 2.4377 3.6169 3.6169 9.3632 9.3632 11.4307 11.4307 13.0134 13.0134 14.8077 14.8077 15.0101 15.0101 k =-0.2449 0.2900 0.6717 ( 1363 PWs) bands (ev): -30.9969 -30.9969 -13.4327 -13.4327 -12.2984 -12.2984 -11.9898 -11.9898 -11.5828 -11.5828 -0.7733 -0.7733 2.0908 2.0908 2.4494 2.4494 3.6238 3.6238 9.4492 9.4492 11.4330 11.4330 12.9511 12.9511 14.8289 14.8289 14.9630 14.9630 k =-0.2505 0.2965 0.6631 ( 1365 PWs) bands (ev): -30.9974 -30.9974 -13.4420 -13.4420 -12.2914 -12.2914 -11.9886 -11.9886 -11.5755 -11.5755 -0.7838 -0.7838 2.0749 2.0749 2.4606 2.4606 3.6303 3.6303 9.5351 9.5351 11.4340 11.4340 12.8915 12.8915 14.8525 14.8525 14.9156 14.9156 k =-0.2560 0.3031 0.6545 ( 1367 PWs) bands (ev): -30.9978 -30.9978 -13.4509 -13.4509 -12.2845 -12.2845 -11.9871 -11.9871 -11.5688 -11.5688 -0.7938 -0.7938 2.0598 2.0598 2.4714 2.4714 3.6363 3.6363 9.6207 9.6207 11.4334 11.4334 12.8348 12.8348 14.8667 14.8667 14.8800 14.8800 k =-0.2616 0.3096 0.6459 ( 1363 PWs) bands (ev): -30.9983 -30.9983 -13.4594 -13.4594 -12.2779 -12.2779 -11.9854 -11.9854 -11.5626 -11.5626 -0.8032 -0.8032 2.0454 2.0454 2.4818 2.4818 3.6420 3.6420 9.7055 9.7055 11.4313 11.4313 12.7811 12.7811 14.8207 14.8207 14.9075 14.9075 k =-0.2671 0.3162 0.6373 ( 1365 PWs) bands (ev): -30.9987 -30.9987 -13.4676 -13.4676 -12.2718 -12.2718 -11.9835 -11.9835 -11.5569 -11.5569 -0.8121 -0.8121 2.0318 2.0318 2.4915 2.4915 3.6471 3.6471 9.7893 9.7893 11.4274 11.4274 12.7306 12.7306 14.7745 14.7745 14.9383 14.9383 k =-0.2727 0.3228 0.6287 ( 1363 PWs) bands (ev): -30.9991 -30.9991 -13.4752 -13.4752 -12.2659 -12.2659 -11.9814 -11.9814 -11.5518 -11.5518 -0.8204 -0.8204 2.0191 2.0191 2.5007 2.5007 3.6519 3.6519 9.8718 9.8718 11.4217 11.4217 12.6833 12.6833 14.7294 14.7294 14.9714 14.9715 k =-0.2782 0.3293 0.6202 ( 1365 PWs) bands (ev): -30.9995 -30.9995 -13.4824 -13.4824 -12.2605 -12.2605 -11.9792 -11.9792 -11.5472 -11.5472 -0.8280 -0.8280 2.0072 2.0072 2.5093 2.5093 3.6563 3.6563 9.9523 9.9523 11.4139 11.4139 12.6395 12.6395 14.6858 14.6858 14.9992 14.9992 k =-0.2838 0.3359 0.6116 ( 1361 PWs) bands (ev): -30.9998 -30.9998 -13.4891 -13.4891 -12.2556 -12.2556 -11.9768 -11.9768 -11.5431 -11.5431 -0.8350 -0.8350 1.9962 1.9962 2.5173 2.5173 3.6602 3.6602 10.0307 10.0307 11.4043 11.4043 12.5991 12.5991 14.6442 14.6442 14.9790 14.9790 k =-0.2893 0.3425 0.6030 ( 1361 PWs) bands (ev): -31.0001 -31.0001 -13.4952 -13.4952 -12.2511 -12.2511 -11.9744 -11.9744 -11.5395 -11.5395 -0.8414 -0.8414 1.9862 1.9862 2.5246 2.5246 3.6638 3.6638 10.1062 10.1062 11.3927 11.3927 12.5623 12.5623 14.6050 14.6050 14.9585 14.9585 k =-0.2948 0.3490 0.5944 ( 1362 PWs) bands (ev): -31.0004 -31.0004 -13.5007 -13.5007 -12.2471 -12.2471 -11.9720 -11.9720 -11.5364 -11.5364 -0.8472 -0.8472 1.9772 1.9772 2.5311 2.5311 3.6669 3.6669 10.1782 10.1782 11.3793 11.3793 12.5291 12.5291 14.5686 14.5686 14.9397 14.9397 k =-0.3004 0.3556 0.5858 ( 1363 PWs) bands (ev): -31.0007 -31.0007 -13.5057 -13.5057 -12.2436 -12.2436 -11.9697 -11.9697 -11.5337 -11.5337 -0.8523 -0.8523 1.9691 1.9691 2.5370 2.5370 3.6696 3.6696 10.2461 10.2461 11.3645 11.3645 12.4997 12.4997 14.5353 14.5353 14.9226 14.9226 k =-0.3059 0.3622 0.5772 ( 1365 PWs) bands (ev): -31.0009 -31.0009 -13.5100 -13.5100 -12.2406 -12.2406 -11.9676 -11.9676 -11.5314 -11.5314 -0.8567 -0.8567 1.9621 1.9621 2.5421 2.5421 3.6720 3.6720 10.3089 10.3089 11.3486 11.3486 12.4741 12.4741 14.5056 14.5056 14.9075 14.9075 k =-0.3115 0.3687 0.5686 ( 1363 PWs) bands (ev): -31.0011 -31.0011 -13.5137 -13.5137 -12.2381 -12.2381 -11.9656 -11.9656 -11.5295 -11.5295 -0.8605 -0.8605 1.9561 1.9561 2.5465 2.5465 3.6740 3.6740 10.3656 10.3656 11.3324 11.3324 12.4523 12.4523 14.4798 14.4798 14.8945 14.8945 k =-0.3170 0.3753 0.5600 ( 1361 PWs) bands (ev): -31.0013 -31.0013 -13.5167 -13.5167 -12.2360 -12.2360 -11.9639 -11.9639 -11.5280 -11.5280 -0.8636 -0.8636 1.9512 1.9512 2.5502 2.5502 3.6756 3.6756 10.4150 10.4150 11.3167 11.3167 12.4344 12.4344 14.4583 14.4583 14.8838 14.8838 k =-0.3226 0.3818 0.5514 ( 1363 PWs) bands (ev): -31.0014 -31.0014 -13.5191 -13.5191 -12.2344 -12.2344 -11.9625 -11.9625 -11.5269 -11.5269 -0.8660 -0.8660 1.9474 1.9474 2.5530 2.5530 3.6769 3.6769 10.4556 10.4556 11.3026 11.3026 12.4204 12.4204 14.4412 14.4412 14.8753 14.8753 k =-0.3281 0.3884 0.5428 ( 1361 PWs) bands (ev): -31.0015 -31.0015 -13.5208 -13.5208 -12.2332 -12.2332 -11.9615 -11.9615 -11.5261 -11.5261 -0.8677 -0.8677 1.9446 1.9446 2.5550 2.5550 3.6778 3.6778 10.4861 10.4861 11.2912 11.2912 12.4104 12.4104 14.4289 14.4289 14.8693 14.8693 k =-0.3337 0.3950 0.5342 ( 1361 PWs) bands (ev): -31.0015 -31.0015 -13.5218 -13.5218 -12.2326 -12.2326 -11.9609 -11.9609 -11.5256 -11.5256 -0.8687 -0.8687 1.9430 1.9430 2.5562 2.5562 3.6784 3.6784 10.5049 10.5049 11.2839 11.2839 12.4044 12.4044 14.4214 14.4214 14.8656 14.8656 k =-0.3392 0.4015 0.5256 ( 1357 PWs) bands (ev): -31.0015 -31.0015 -13.5222 -13.5222 -12.2323 -12.2323 -11.9606 -11.9606 -11.5254 -11.5254 -0.8691 -0.8691 1.9424 1.9424 2.5567 2.5567 3.6786 3.6786 10.5113 10.5113 11.2815 11.2815 12.4024 12.4024 14.4189 14.4189 14.8644 14.8644 k =-0.3392 0.4015 0.5256 ( 1357 PWs) bands (ev): -31.0015 -31.0015 -13.5222 -13.5222 -12.2323 -12.2323 -11.9606 -11.9606 -11.5254 -11.5254 -0.8691 -0.8691 1.9424 1.9424 2.5567 2.5567 3.6786 3.6786 10.5113 10.5113 11.2815 11.2815 12.4024 12.4024 14.4189 14.4189 14.8644 14.8644 k =-0.3335 0.3948 0.5169 ( 1357 PWs) bands (ev): -31.0013 -31.0013 -13.5406 -13.5406 -12.2276 -12.2276 -11.9563 -11.9563 -11.5080 -11.5080 -0.8519 -0.8519 1.9060 1.9060 2.5476 2.5476 3.6580 3.6580 10.4468 10.4468 11.2448 11.2448 12.5092 12.5092 14.4120 14.4120 14.8616 14.8616 k =-0.3279 0.3882 0.5081 ( 1359 PWs) bands (ev): -31.0011 -31.0011 -13.5580 -13.5580 -12.2231 -12.2231 -11.9519 -11.9519 -11.4915 -11.4915 -0.8343 -0.8343 1.8708 1.8708 2.5392 2.5392 3.6371 3.6371 10.3825 10.3825 11.2061 11.2061 12.6158 12.6158 14.4076 14.4076 14.8610 14.8610 k =-0.3222 0.3815 0.4994 ( 1355 PWs) bands (ev): -31.0009 -31.0009 -13.5745 -13.5745 -12.2187 -12.2187 -11.9475 -11.9475 -11.4759 -11.4759 -0.8162 -0.8162 1.8370 1.8370 2.5316 2.5316 3.6158 3.6158 10.3184 10.3184 11.1657 11.1657 12.7220 12.7220 14.4057 14.4057 14.8628 14.8628 k =-0.3166 0.3748 0.4906 ( 1355 PWs) bands (ev): -31.0008 -31.0008 -13.5899 -13.5899 -12.2143 -12.2143 -11.9431 -11.9431 -11.4613 -11.4613 -0.7976 -0.7976 1.8047 1.8047 2.5248 2.5248 3.5941 3.5941 10.2547 10.2547 11.1236 11.1236 12.8272 12.8272 14.4063 14.4063 14.8669 14.8669 k =-0.3109 0.3681 0.4818 ( 1359 PWs) bands (ev): -31.0007 -31.0007 -13.6043 -13.6043 -12.2101 -12.2101 -11.9387 -11.9387 -11.4478 -11.4478 -0.7785 -0.7785 1.7740 1.7740 2.5190 2.5190 3.5722 3.5722 10.1915 10.1915 11.0798 11.0798 12.9308 12.9308 14.4091 14.4091 14.8733 14.8733 k =-0.3053 0.3614 0.4731 ( 1359 PWs) bands (ev): -31.0006 -31.0006 -13.6176 -13.6176 -12.2060 -12.2060 -11.9343 -11.9343 -11.4353 -11.4353 -0.7590 -0.7590 1.7450 1.7450 2.5141 2.5141 3.5500 3.5500 10.1290 10.1290 11.0345 11.0345 13.0324 13.0324 14.4144 14.4144 14.8820 14.8820 k =-0.2996 0.3547 0.4643 ( 1359 PWs) bands (ev): -31.0006 -31.0006 -13.6297 -13.6297 -12.2021 -12.2021 -11.9299 -11.9299 -11.4239 -11.4239 -0.7391 -0.7391 1.7177 1.7177 2.5103 2.5103 3.5277 3.5277 10.0674 10.0674 10.9877 10.9877 13.1314 13.1314 14.4220 14.4220 14.8930 14.8930 k =-0.2940 0.3480 0.4555 ( 1367 PWs) bands (ev): -31.0007 -31.0007 -13.6408 -13.6408 -12.1982 -12.1982 -11.9255 -11.9255 -11.4136 -11.4136 -0.7187 -0.7187 1.6922 1.6922 2.5074 2.5074 3.5052 3.5052 10.0068 10.0068 10.9396 10.9396 13.2269 13.2269 14.4317 14.4317 14.9062 14.9062 k =-0.2883 0.3413 0.4468 ( 1367 PWs) bands (ev): -31.0008 -31.0008 -13.6507 -13.6507 -12.1946 -12.1946 -11.9212 -11.9212 -11.4045 -11.4045 -0.6980 -0.6980 1.6686 1.6686 2.5056 2.5056 3.4825 3.4825 9.9472 9.9472 10.8902 10.8902 13.3186 13.3186 14.4438 14.4438 14.9216 14.9216 k =-0.2827 0.3346 0.4380 ( 1371 PWs) bands (ev): -31.0010 -31.0010 -13.6594 -13.6594 -12.1910 -12.1910 -11.9169 -11.9169 -11.3965 -11.3965 -0.6769 -0.6769 1.6469 1.6469 2.5050 2.5050 3.4599 3.4599 9.8889 9.8889 10.8398 10.8398 13.4054 13.4054 14.4581 14.4581 14.9391 14.9391 k =-0.2770 0.3279 0.4293 ( 1367 PWs) bands (ev): -31.0012 -31.0012 -13.6669 -13.6669 -12.1876 -12.1876 -11.9125 -11.9125 -11.3897 -11.3897 -0.6555 -0.6555 1.6271 1.6271 2.5054 2.5054 3.4372 3.4372 9.8318 9.8318 10.7884 10.7884 13.4869 13.4869 14.4745 14.4745 14.9586 14.9586 k =-0.2714 0.3212 0.4205 ( 1363 PWs) bands (ev): -31.0014 -31.0014 -13.6733 -13.6733 -12.1843 -12.1843 -11.9083 -11.9083 -11.3841 -11.3841 -0.6338 -0.6338 1.6093 1.6093 2.5070 2.5070 3.4146 3.4146 9.7762 9.7762 10.7362 10.7362 13.5624 13.5624 14.4932 14.4932 14.9801 14.9801 k =-0.2657 0.3145 0.4117 ( 1363 PWs) bands (ev): -31.0017 -31.0017 -13.6784 -13.6784 -12.1813 -12.1813 -11.9041 -11.9041 -11.3797 -11.3797 -0.6117 -0.6117 1.5935 1.5935 2.5098 2.5098 3.3921 3.3921 9.7220 9.7220 10.6832 10.6832 13.6310 13.6310 14.5138 14.5138 15.0034 15.0034 k =-0.2601 0.3078 0.4030 ( 1363 PWs) bands (ev): -31.0021 -31.0021 -13.6823 -13.6823 -12.1784 -12.1784 -11.9000 -11.9000 -11.3765 -11.3765 -0.5895 -0.5895 1.5797 1.5797 2.5138 2.5138 3.3697 3.3697 9.6694 9.6694 10.6296 10.6296 13.6922 13.6922 14.5364 14.5364 15.0284 15.0284 k =-0.2544 0.3012 0.3942 ( 1363 PWs) bands (ev): -31.0025 -31.0025 -13.6850 -13.6850 -12.1757 -12.1757 -11.8959 -11.8959 -11.3745 -11.3745 -0.5670 -0.5670 1.5679 1.5679 2.5190 2.5190 3.3476 3.3476 9.6184 9.6184 10.5755 10.5755 13.7452 13.7452 14.5611 14.5611 15.0551 15.0551 k =-0.2487 0.2945 0.3855 ( 1359 PWs) bands (ev): -31.0030 -31.0030 -13.6865 -13.6865 -12.1731 -12.1731 -11.8919 -11.8919 -11.3737 -11.3737 -0.5442 -0.5442 1.5580 1.5580 2.5254 2.5254 3.3258 3.3258 9.5692 9.5692 10.5211 10.5211 13.7896 13.7896 14.5877 14.5877 15.0833 15.0833 k =-0.2431 0.2878 0.3767 ( 1357 PWs) bands (ev): -31.0035 -31.0035 -13.6867 -13.6867 -12.1707 -12.1707 -11.8880 -11.8880 -11.3742 -11.3742 -0.5214 -0.5214 1.5500 1.5500 2.5330 2.5330 3.3043 3.3043 9.5218 9.5218 10.4665 10.4665 13.8249 13.8249 14.6163 14.6163 15.1130 15.1130 k =-0.2374 0.2811 0.3679 ( 1357 PWs) bands (ev): -31.0041 -31.0041 -13.6858 -13.6858 -12.1686 -12.1686 -11.8842 -11.8842 -11.3758 -11.3758 -0.4984 -0.4984 1.5440 1.5440 2.5418 2.5418 3.2832 3.2832 9.4762 9.4762 10.4117 10.4117 13.8508 13.8508 14.6466 14.6466 15.1440 15.1440 k =-0.2318 0.2744 0.3592 ( 1357 PWs) bands (ev): -31.0047 -31.0047 -13.6836 -13.6836 -12.1666 -12.1666 -11.8804 -11.8804 -11.3787 -11.3787 -0.4753 -0.4753 1.5398 1.5398 2.5517 2.5517 3.2627 3.2627 9.4325 9.4325 10.3570 10.3570 13.8671 13.8671 14.6787 14.6787 15.1762 15.1762 k =-0.2261 0.2677 0.3504 ( 1353 PWs) bands (ev): -31.0053 -31.0053 -13.6802 -13.6802 -12.1648 -12.1648 -11.8768 -11.8768 -11.3828 -11.3828 -0.4521 -0.4521 1.5375 1.5375 2.5629 2.5629 3.2427 3.2427 9.3907 9.3907 10.3023 10.3023 13.8737 13.8737 14.7125 14.7125 15.2095 15.2095 k =-0.2205 0.2610 0.3417 ( 1353 PWs) bands (ev): -31.0061 -31.0061 -13.6756 -13.6756 -12.1632 -12.1632 -11.8732 -11.8732 -11.3881 -11.3881 -0.4289 -0.4289 1.5369 1.5369 2.5752 2.5752 3.2233 3.2233 9.3510 9.3510 10.2479 10.2479 13.8707 13.8707 14.7480 14.7480 15.2438 15.2439 k =-0.2148 0.2543 0.3329 ( 1353 PWs) bands (ev): -31.0068 -31.0068 -13.6698 -13.6698 -12.1619 -12.1619 -11.8698 -11.8698 -11.3945 -11.3945 -0.4057 -0.4057 1.5379 1.5379 2.5886 2.5886 3.2046 3.2046 9.3132 9.3132 10.1938 10.1938 13.8582 13.8582 14.7851 14.7851 15.2789 15.2789 k =-0.2092 0.2476 0.3241 ( 1353 PWs) bands (ev): -31.0077 -31.0077 -13.6629 -13.6629 -12.1607 -12.1607 -11.8665 -11.8665 -11.4021 -11.4021 -0.3826 -0.3826 1.5405 1.5405 2.6032 2.6032 3.1868 3.1868 9.2775 9.2775 10.1401 10.1401 13.8366 13.8366 14.8239 14.8239 15.2220 15.2220 k =-0.2035 0.2409 0.3154 ( 1357 PWs) bands (ev): -31.0085 -31.0085 -13.6548 -13.6548 -12.1597 -12.1597 -11.8633 -11.8633 -11.4108 -11.4108 -0.3595 -0.3595 1.5446 1.5446 2.6187 2.6187 3.1697 3.1697 9.2438 9.2438 10.0869 10.0869 13.8063 13.8063 14.8639 14.8639 15.1103 15.1103 k =-0.1979 0.2342 0.3066 ( 1361 PWs) bands (ev): -31.0094 -31.0094 -13.6456 -13.6456 -12.1590 -12.1590 -11.8602 -11.8602 -11.4206 -11.4206 -0.3366 -0.3366 1.5501 1.5501 2.6353 2.6353 3.1537 3.1537 9.2122 9.2122 10.0343 10.0343 13.7678 13.7678 14.9054 14.9054 15.0003 15.0003 k =-0.1922 0.2275 0.2979 ( 1361 PWs) bands (ev): -31.0104 -31.0104 -13.6353 -13.6353 -12.1585 -12.1585 -11.8573 -11.8573 -11.4314 -11.4314 -0.3138 -0.3138 1.5568 1.5568 2.6529 2.6529 3.1387 3.1387 9.1827 9.1827 9.9824 9.9824 13.7218 13.7218 14.8919 14.8919 14.9485 14.9485 k =-0.1866 0.2208 0.2891 ( 1357 PWs) bands (ev): -31.0113 -31.0113 -13.6239 -13.6239 -12.1581 -12.1581 -11.8544 -11.8544 -11.4432 -11.4432 -0.2912 -0.2912 1.5646 1.5646 2.6714 2.6714 3.1248 3.1248 9.1553 9.1553 9.9313 9.9313 13.6690 13.6690 14.7854 14.7854 14.9929 14.9929 k =-0.1809 0.2142 0.2803 ( 1357 PWs) bands (ev): -31.0123 -31.0123 -13.6114 -13.6114 -12.1580 -12.1580 -11.8517 -11.8517 -11.4560 -11.4560 -0.2689 -0.2689 1.5734 1.5734 2.6908 2.6908 3.1121 3.1121 9.1299 9.1299 9.8810 9.8810 13.6100 13.6100 14.6808 14.6808 15.0384 15.0384 k =-0.1753 0.2075 0.2716 ( 1355 PWs) bands (ev): -31.0133 -31.0133 -13.5978 -13.5978 -12.1581 -12.1581 -11.8491 -11.8491 -11.4698 -11.4698 -0.2468 -0.2468 1.5831 1.5831 2.7109 2.7109 3.1007 3.1007 9.1066 9.1066 9.8316 9.8316 13.5458 13.5458 14.5779 14.5779 15.0850 15.0850 k =-0.1696 0.2008 0.2628 ( 1355 PWs) bands (ev): -31.0144 -31.0144 -13.5833 -13.5833 -12.1584 -12.1584 -11.8467 -11.8467 -11.4844 -11.4844 -0.2251 -0.2251 1.5935 1.5935 2.7319 2.7319 3.0906 3.0906 9.0853 9.0853 9.7832 9.7832 13.4770 13.4770 14.4767 14.4767 15.1326 15.1326 k =-0.1639 0.1941 0.2541 ( 1355 PWs) bands (ev): -31.0154 -31.0154 -13.5678 -13.5678 -12.1589 -12.1589 -11.8444 -11.8444 -11.4999 -11.4999 -0.2036 -0.2036 1.6045 1.6045 2.7534 2.7534 3.0820 3.0820 9.0660 9.0660 9.7359 9.7359 13.4046 13.4046 14.3771 14.3771 15.1812 15.1812 k =-0.1583 0.1874 0.2453 ( 1351 PWs) bands (ev): -31.0165 -31.0165 -13.5513 -13.5513 -12.1597 -12.1597 -11.8422 -11.8422 -11.5160 -11.5160 -0.1826 -0.1826 1.6159 1.6159 2.7756 2.7756 3.0749 3.0749 9.0487 9.0487 9.6896 9.6896 13.3292 13.3292 14.2790 14.2790 15.1953 15.1953 k =-0.1526 0.1807 0.2365 ( 1357 PWs) bands (ev): -31.0176 -31.0176 -13.5340 -13.5340 -12.1608 -12.1608 -11.8403 -11.8403 -11.5330 -11.5330 -0.1620 -0.1620 1.6275 1.6275 2.7982 2.7982 3.0693 3.0693 9.0333 9.0333 9.6445 9.6445 13.2517 13.2517 14.1823 14.1823 15.1263 15.1263 k =-0.1470 0.1740 0.2278 ( 1357 PWs) bands (ev): -31.0187 -31.0187 -13.5159 -13.5159 -12.1620 -12.1620 -11.8386 -11.8386 -11.5505 -11.5505 -0.1418 -0.1418 1.6392 1.6392 2.8214 2.8214 3.0653 3.0653 9.0197 9.0197 9.6007 9.6007 13.1728 13.1728 14.0870 14.0870 15.0566 15.0566 k =-0.1413 0.1673 0.2190 ( 1357 PWs) bands (ev): -31.0198 -31.0198 -13.4969 -13.4969 -12.1635 -12.1635 -11.8370 -11.8370 -11.5686 -11.5686 -0.1222 -0.1222 1.6509 1.6509 2.8448 2.8448 3.0629 3.0629 9.0080 9.0080 9.5581 9.5581 13.0930 13.0930 13.9930 13.9930 14.9866 14.9866 k =-0.1357 0.1606 0.2103 ( 1357 PWs) bands (ev): -31.0209 -31.0209 -13.4772 -13.4772 -12.1653 -12.1653 -11.8357 -11.8357 -11.5870 -11.5870 -0.1030 -0.1030 1.6625 1.6625 2.8685 2.8685 3.0622 3.0622 8.9979 8.9979 9.5168 9.5168 13.0131 13.0131 13.9004 13.9004 14.9164 14.9164 k =-0.1300 0.1539 0.2015 ( 1355 PWs) bands (ev): -31.0220 -31.0220 -13.4569 -13.4569 -12.1673 -12.1673 -11.8347 -11.8347 -11.6057 -11.6057 -0.0844 -0.0844 1.6738 1.6738 2.8924 2.8924 3.0631 3.0631 8.9896 8.9896 9.4770 9.4770 12.9335 12.9335 13.8093 13.8093 14.8466 14.8466 k =-0.1244 0.1472 0.1927 ( 1355 PWs) bands (ev): -31.0231 -31.0231 -13.4359 -13.4359 -12.1696 -12.1696 -11.8339 -11.8339 -11.6247 -11.6247 -0.0664 -0.0664 1.6846 1.6846 2.9163 2.9163 3.0657 3.0657 8.9828 8.9828 9.4385 9.4385 12.8547 12.8547 13.7197 13.7197 14.7773 14.7773 k =-0.1187 0.1405 0.1840 ( 1355 PWs) bands (ev): -31.0242 -31.0242 -13.4143 -13.4143 -12.1722 -12.1722 -11.8335 -11.8335 -11.6436 -11.6436 -0.0491 -0.0491 1.6950 1.6950 2.9402 2.9402 3.0698 3.0698 8.9774 8.9774 9.4015 9.4015 12.7772 12.7772 13.6319 13.6319 14.7089 14.7089 k =-0.1131 0.1338 0.1752 ( 1355 PWs) bands (ev): -31.0252 -31.0252 -13.3923 -13.3923 -12.1752 -12.1752 -11.8336 -11.8336 -11.6624 -11.6624 -0.0323 -0.0323 1.7048 1.7048 2.9639 2.9639 3.0755 3.0755 8.9734 8.9734 9.3660 9.3660 12.7013 12.7013 13.5460 13.5460 14.6417 14.6417 k =-0.1074 0.1272 0.1665 ( 1353 PWs) bands (ev): -31.0263 -31.0263 -13.3698 -13.3698 -12.1785 -12.1785 -11.8343 -11.8343 -11.6807 -11.6807 -0.0162 -0.0162 1.7140 1.7140 2.9874 2.9874 3.0825 3.0825 8.9708 8.9708 9.3319 9.3319 12.6274 12.6274 13.4621 13.4621 14.5759 14.5759 k =-0.1018 0.1205 0.1577 ( 1349 PWs) bands (ev): -31.0273 -31.0273 -13.3471 -13.3471 -12.1821 -12.1821 -11.8356 -11.8356 -11.6983 -11.6983 -0.0008 -0.0008 1.7225 1.7225 3.0104 3.0104 3.0909 3.0909 8.9692 8.9692 9.2995 9.2995 12.5557 12.5557 13.3806 13.3806 14.5118 14.5118 k =-0.0961 0.1138 0.1489 ( 1349 PWs) bands (ev): -31.0283 -31.0283 -13.3241 -13.3241 -12.1862 -12.1862 -11.8379 -11.8379 -11.7149 -11.7149 0.0138 0.0138 1.7303 1.7303 3.0330 3.0330 3.1005 3.1005 8.9687 8.9687 9.2686 9.2686 12.4866 12.4866 13.3016 13.3016 14.4496 14.4496 k =-0.0905 0.1071 0.1402 ( 1347 PWs) bands (ev): -31.0292 -31.0292 -13.3010 -13.3010 -12.1907 -12.1907 -11.8414 -11.8414 -11.7301 -11.7301 0.0278 0.0278 1.7373 1.7373 3.0550 3.0550 3.1111 3.1111 8.9692 8.9692 9.2394 9.2394 12.4203 12.4203 13.2254 13.2254 14.3896 14.3896 k =-0.0848 0.1004 0.1314 ( 1351 PWs) bands (ev): -31.0301 -31.0301 -13.2779 -13.2779 -12.1956 -12.1956 -11.8464 -11.8464 -11.7435 -11.7435 0.0410 0.0410 1.7437 1.7437 3.0762 3.0762 3.1226 3.1226 8.9704 8.9704 9.2118 9.2118 12.3570 12.3570 13.1522 13.1522 14.3319 14.3319 k =-0.0791 0.0937 0.1226 ( 1353 PWs) bands (ev): -31.0310 -31.0310 -13.2549 -13.2549 -12.2010 -12.2010 -11.8531 -11.8531 -11.7547 -11.7547 0.0534 0.0534 1.7493 1.7493 3.0966 3.0966 3.1348 3.1348 8.9724 8.9724 9.1859 9.1859 12.2969 12.2969 13.0823 13.0823 14.2769 14.2769 k =-0.0735 0.0870 0.1139 ( 1353 PWs) bands (ev): -31.0318 -31.0318 -13.2321 -13.2321 -12.2068 -12.2068 -11.8613 -11.8613 -11.7636 -11.7636 0.0650 0.0650 1.7543 1.7543 3.1159 3.1159 3.1476 3.1476 8.9749 8.9749 9.1617 9.1617 12.2401 12.2401 13.0160 13.0160 14.2248 14.2248 k =-0.0678 0.0803 0.1051 ( 1355 PWs) bands (ev): -31.0326 -31.0326 -13.2098 -13.2098 -12.2131 -12.2131 -11.8709 -11.8709 -11.7704 -11.7704 0.0758 0.0758 1.7586 1.7586 3.1342 3.1342 3.1606 3.1606 8.9778 8.9778 9.1392 9.1392 12.1869 12.1869 12.9535 12.9535 14.1757 14.1757 k =-0.0622 0.0736 0.0964 ( 1347 PWs) bands (ev): -31.0333 -31.0333 -13.1880 -13.1880 -12.2197 -12.2197 -11.8813 -11.8813 -11.7753 -11.7753 0.0858 0.0858 1.7624 1.7624 3.1513 3.1513 3.1738 3.1738 8.9811 8.9811 9.1185 9.1185 12.1374 12.1374 12.8950 12.8950 14.1299 14.1299 k =-0.0565 0.0669 0.0876 ( 1351 PWs) bands (ev): -31.0340 -31.0340 -13.1670 -13.1670 -12.2268 -12.2268 -11.8920 -11.8920 -11.7789 -11.7789 0.0950 0.0950 1.7656 1.7656 3.1670 3.1670 3.1869 3.1869 8.9844 8.9844 9.0995 9.0995 12.0916 12.0916 12.8408 12.8408 14.0874 14.0874 k =-0.0509 0.0602 0.0788 ( 1343 PWs) bands (ev): -31.0346 -31.0346 -13.1469 -13.1469 -12.2340 -12.2340 -11.9025 -11.9025 -11.7814 -11.7814 0.1033 0.1033 1.7683 1.7683 3.1814 3.1814 3.1997 3.1997 8.9880 8.9880 9.0823 9.0823 12.0499 12.0499 12.7911 12.7911 14.0484 14.0484 k =-0.0452 0.0535 0.0701 ( 1341 PWs) bands (ev): -31.0352 -31.0352 -13.1280 -13.1280 -12.2414 -12.2414 -11.9125 -11.9125 -11.7832 -11.7832 0.1108 0.1108 1.7706 1.7706 3.1945 3.1945 3.2118 3.2118 8.9915 8.9915 9.0669 9.0669 12.0123 12.0123 12.7460 12.7460 14.0132 14.0132 k =-0.0396 0.0468 0.0613 ( 1341 PWs) bands (ev): -31.0357 -31.0357 -13.1105 -13.1105 -12.2487 -12.2487 -11.9216 -11.9216 -11.7845 -11.7845 0.1174 0.1174 1.7724 1.7724 3.2061 3.2061 3.2230 3.2230 8.9947 8.9947 9.0533 9.0533 11.9787 11.9787 12.7058 12.7058 13.9817 13.9817 k =-0.0339 0.0402 0.0526 ( 1341 PWs) bands (ev): -31.0361 -31.0361 -13.0947 -13.0947 -12.2557 -12.2557 -11.9297 -11.9297 -11.7854 -11.7854 0.1231 0.1231 1.7739 1.7739 3.2164 3.2164 3.2331 3.2331 8.9977 8.9977 9.0415 9.0415 11.9495 11.9495 12.6706 12.6706 13.9543 13.9543 k =-0.0283 0.0335 0.0438 ( 1337 PWs) bands (ev): -31.0365 -31.0365 -13.0807 -13.0807 -12.2622 -12.2622 -11.9366 -11.9366 -11.7861 -11.7861 0.1280 0.1280 1.7752 1.7752 3.2252 3.2252 3.2420 3.2420 9.0003 9.0003 9.0317 9.0317 11.9246 11.9246 12.6406 12.6406 13.9309 13.9309 k =-0.0226 0.0268 0.0350 ( 1333 PWs) bands (ev): -31.0368 -31.0368 -13.0689 -13.0689 -12.2679 -12.2679 -11.9423 -11.9423 -11.7866 -11.7866 0.1320 0.1320 1.7761 1.7761 3.2326 3.2326 3.2494 3.2494 9.0023 9.0023 9.0238 9.0238 11.9042 11.9042 12.6159 12.6159 13.9116 13.9116 k =-0.0170 0.0201 0.0263 ( 1333 PWs) bands (ev): -31.0371 -31.0371 -13.0594 -13.0594 -12.2727 -12.2727 -11.9468 -11.9468 -11.7869 -11.7869 0.1351 0.1351 1.7768 1.7768 3.2384 3.2384 3.2552 3.2552 9.0035 9.0035 9.0181 9.0181 11.8882 11.8882 12.5965 12.5965 13.8965 13.8965 k =-0.0113 0.0134 0.0175 ( 1333 PWs) bands (ev): -31.0372 -31.0372 -13.0525 -13.0525 -12.2763 -12.2763 -11.9500 -11.9500 -11.7872 -11.7872 0.1373 0.1373 1.7773 1.7773 3.2425 3.2425 3.2594 3.2594 9.0038 9.0038 9.0147 9.0147 11.8768 11.8768 12.5826 12.5826 13.8858 13.8858 k =-0.0057 0.0067 0.0088 ( 1325 PWs) bands (ev): -31.0373 -31.0373 -13.0482 -13.0482 -12.2785 -12.2785 -11.9519 -11.9519 -11.7873 -11.7873 0.1386 0.1386 1.7776 1.7776 3.2451 3.2451 3.2620 3.2620 9.0034 9.0034 9.0133 9.0133 11.8700 11.8700 12.5743 12.5743 13.8794 13.8794 k = 0.0000 0.0000 0.0000 ( 1325 PWs) bands (ev): -31.0374 -31.0374 -13.0468 -13.0468 -12.2792 -12.2792 -11.9525 -11.9525 -11.7873 -11.7873 0.1391 0.1391 1.7777 1.7777 3.2459 3.2459 3.2629 3.2629 9.0031 9.0031 9.0129 9.0129 11.8677 11.8677 12.5715 12.5715 13.8772 13.8772 k = 0.0000 0.0000 0.0000 ( 1325 PWs) bands (ev): -31.0374 -31.0374 -13.0468 -13.0468 -12.2792 -12.2792 -11.9525 -11.9525 -11.7873 -11.7873 0.1391 0.1391 1.7777 1.7777 3.2459 3.2459 3.2629 3.2629 9.0031 9.0031 9.0129 9.0129 11.8677 11.8677 12.5715 12.5715 13.8772 13.8772 k = 0.0094 0.0080 0.0000 ( 1325 PWs) bands (ev): -31.0373 -31.0373 -13.0471 -13.0471 -12.2792 -12.2792 -11.9526 -11.9526 -11.7872 -11.7872 0.1334 0.1334 1.7847 1.7847 3.2454 3.2454 3.2623 3.2623 9.0054 9.0054 9.0152 9.0152 11.8661 11.8661 12.5726 12.5726 13.8776 13.8776 k = 0.0189 0.0159 0.0000 ( 1329 PWs) bands (ev): -31.0373 -31.0373 -13.0477 -13.0477 -12.2792 -12.2792 -11.9527 -11.9527 -11.7869 -11.7869 0.1166 0.1166 1.8054 1.8054 3.2437 3.2437 3.2607 3.2607 9.0124 9.0124 9.0222 9.0222 11.8614 11.8614 12.5757 12.5757 13.8788 13.8788 k = 0.0283 0.0239 0.0000 ( 1329 PWs) bands (ev): -31.0371 -31.0371 -13.0488 -13.0488 -12.2792 -12.2792 -11.9530 -11.9530 -11.7863 -11.7863 0.0896 0.0896 1.8388 1.8388 3.2409 3.2409 3.2579 3.2579 9.0239 9.0239 9.0337 9.0337 11.8536 11.8536 12.5809 12.5809 13.8808 13.8808 k = 0.0377 0.0319 0.0000 ( 1325 PWs) bands (ev): -31.0370 -31.0370 -13.0504 -13.0504 -12.2791 -12.2791 -11.9534 -11.9534 -11.7855 -11.7855 0.0538 0.0538 1.8837 1.8837 3.2371 3.2371 3.2541 3.2541 9.0399 9.0399 9.0498 9.0498 11.8429 11.8429 12.5881 12.5881 13.8837 13.8837 k = 0.0472 0.0398 0.0000 ( 1325 PWs) bands (ev): -31.0368 -31.0368 -13.0523 -13.0523 -12.2790 -12.2790 -11.9538 -11.9538 -11.7845 -11.7845 0.0107 0.0107 1.9383 1.9383 3.2322 3.2322 3.2492 3.2492 9.0605 9.0605 9.0704 9.0704 11.8291 11.8291 12.5975 12.5975 13.8872 13.8872 k = 0.0566 0.0478 0.0000 ( 1325 PWs) bands (ev): -31.0365 -31.0365 -13.0545 -13.0545 -12.2790 -12.2790 -11.9544 -11.9544 -11.7834 -11.7834 -0.0382 -0.0382 2.0012 2.0012 3.2262 3.2262 3.2433 3.2433 9.0855 9.0855 9.0954 9.0954 11.8125 11.8125 12.6089 12.6089 13.8916 13.8916 k = 0.0660 0.0558 0.0000 ( 1333 PWs) bands (ev): -31.0362 -31.0362 -13.0571 -13.0571 -12.2790 -12.2790 -11.9552 -11.9552 -11.7822 -11.7822 -0.0915 -0.0915 2.0708 2.0708 3.2193 3.2193 3.2364 3.2364 9.1147 9.1147 9.1247 9.1247 11.7932 11.7932 12.6223 12.6223 13.8966 13.8966 k = 0.0755 0.0638 0.0000 ( 1333 PWs) bands (ev): -31.0359 -31.0359 -13.0600 -13.0600 -12.2791 -12.2791 -11.9560 -11.9560 -11.7809 -11.7809 -0.1478 -0.1478 2.1457 2.1457 3.2115 3.2115 3.2287 3.2287 9.1482 9.1482 9.1583 9.1583 11.7713 11.7713 12.6377 12.6377 13.9025 13.9025 k = 0.0849 0.0717 0.0000 ( 1333 PWs) bands (ev): -31.0355 -31.0355 -13.0630 -13.0630 -12.2791 -12.2791 -11.9569 -11.9569 -11.7796 -11.7796 -0.2062 -0.2062 2.2248 2.2248 3.2029 3.2029 3.2201 3.2201 9.1859 9.1859 9.1960 9.1960 11.7470 11.7470 12.6550 12.6550 13.9091 13.9091 k = 0.0943 0.0797 0.0000 ( 1333 PWs) bands (ev): -31.0350 -31.0350 -13.0662 -13.0662 -12.2793 -12.2793 -11.9579 -11.9579 -11.7784 -11.7784 -0.2656 -0.2656 2.3071 2.3071 3.1934 3.1934 3.2107 3.2107 9.2275 9.2275 9.2377 9.2377 11.7204 11.7204 12.6742 12.6742 13.9164 13.9164 k = 0.1038 0.0877 0.0000 ( 1336 PWs) bands (ev): -31.0346 -31.0346 -13.0695 -13.0695 -12.2795 -12.2795 -11.9591 -11.9591 -11.7772 -11.7772 -0.3254 -0.3254 2.3915 2.3915 3.1832 3.1832 3.2005 3.2005 9.2729 9.2729 9.2833 9.2833 11.6917 11.6917 12.6954 12.6954 13.9242 13.9242 k = 0.1132 0.0956 0.0000 ( 1344 PWs) bands (ev): -31.0341 -31.0341 -13.0728 -13.0728 -12.2799 -12.2799 -11.9603 -11.9603 -11.7762 -11.7762 -0.3849 -0.3849 2.4775 2.4775 3.1723 3.1723 3.1897 3.1897 9.3221 9.3221 9.3325 9.3325 11.6611 11.6611 12.7183 12.7183 13.9328 13.9328 k = 0.1226 0.1036 0.0000 ( 1344 PWs) bands (ev): -31.0335 -31.0335 -13.0761 -13.0761 -12.2803 -12.2803 -11.9616 -11.9616 -11.7755 -11.7755 -0.4436 -0.4436 2.5642 2.5642 3.1609 3.1609 3.1783 3.1783 9.3748 9.3748 9.3853 9.3853 11.6288 11.6288 12.7430 12.7430 13.9421 13.9421 k = 0.1321 0.1116 0.0000 ( 1348 PWs) bands (ev): -31.0330 -31.0330 -13.0793 -13.0793 -12.2808 -12.2808 -11.9629 -11.9629 -11.7751 -11.7751 -0.5010 -0.5010 2.6511 2.6511 3.1490 3.1490 3.1665 3.1665 9.4308 9.4308 9.4415 9.4415 11.5950 11.5950 12.7693 12.7693 13.9520 13.9520 k = 0.1415 0.1195 0.0000 ( 1356 PWs) bands (ev): -31.0324 -31.0324 -13.0823 -13.0823 -12.2815 -12.2815 -11.9644 -11.9644 -11.7750 -11.7750 -0.5569 -0.5569 2.7376 2.7376 3.1366 3.1366 3.1542 3.1542 9.4899 9.4899 9.5007 9.5007 11.5598 11.5598 12.7973 12.7973 13.9625 13.9625 k = 0.1509 0.1275 0.0000 ( 1360 PWs) bands (ev): -31.0317 -31.0317 -13.0852 -13.0852 -12.2823 -12.2823 -11.9659 -11.9659 -11.7754 -11.7754 -0.6108 -0.6108 2.8233 2.8233 3.1238 3.1238 3.1415 3.1415 9.5520 9.5520 9.5630 9.5630 11.5234 11.5234 12.8268 12.8268 13.9735 13.9735 k = 0.1604 0.1355 0.0000 ( 1368 PWs) bands (ev): -31.0311 -31.0311 -13.0878 -13.0878 -12.2832 -12.2832 -11.9675 -11.9675 -11.7762 -11.7762 -0.6627 -0.6627 2.9077 2.9077 3.1108 3.1108 3.1285 3.1285 9.6170 9.6170 9.6281 9.6281 11.4861 11.4861 12.8576 12.8576 13.9850 13.9850 k = 0.1698 0.1434 0.0000 ( 1368 PWs) bands (ev): -31.0304 -31.0304 -13.0900 -13.0900 -12.2842 -12.2842 -11.9691 -11.9691 -11.7775 -11.7775 -0.7122 -0.7122 2.9903 2.9903 3.0976 3.0976 3.1153 3.1153 9.6845 9.6845 9.6957 9.6957 11.4480 11.4480 12.8898 12.8898 13.9971 13.9971 k = 0.1792 0.1514 0.0000 ( 1376 PWs) bands (ev): -31.0297 -31.0297 -13.0919 -13.0919 -12.2854 -12.2854 -11.9708 -11.9708 -11.7795 -11.7795 -0.7592 -0.7592 3.0691 3.0691 3.0861 3.0861 3.1019 3.1019 9.7543 9.7543 9.7657 9.7657 11.4093 11.4093 12.9231 12.9231 14.0096 14.0096 k = 0.1887 0.1594 0.0000 ( 1376 PWs) bands (ev): -31.0290 -31.0290 -13.0934 -13.0934 -12.2867 -12.2867 -11.9726 -11.9726 -11.7821 -11.7821 -0.8035 -0.8035 3.0699 3.0699 3.0885 3.0885 3.1502 3.1502 9.8262 9.8262 9.8378 9.8378 11.3701 11.3701 12.9575 12.9575 14.0225 14.0225 k = 0.1981 0.1674 0.0000 ( 1384 PWs) bands (ev): -31.0282 -31.0282 -13.0945 -13.0945 -12.2882 -12.2882 -11.9743 -11.9743 -11.7853 -11.7853 -0.8452 -0.8452 3.0566 3.0566 3.0750 3.0750 3.2257 3.2257 9.9001 9.9001 9.9118 9.9118 11.3307 11.3307 12.9926 12.9926 14.0358 14.0358 k = 0.2075 0.1753 0.0000 ( 1384 PWs) bands (ev): -31.0275 -31.0275 -13.0950 -13.0950 -12.2898 -12.2898 -11.9761 -11.9761 -11.7892 -11.7892 -0.8841 -0.8841 3.0431 3.0431 3.0616 3.0616 3.2984 3.2984 9.9755 9.9755 9.9874 9.9874 11.2911 11.2911 13.0285 13.0285 14.0494 14.0494 k = 0.2170 0.1833 0.0000 ( 1380 PWs) bands (ev): -31.0267 -31.0267 -13.0950 -13.0950 -12.2916 -12.2916 -11.9779 -11.9779 -11.7938 -11.7938 -0.9202 -0.9202 3.0296 3.0296 3.0482 3.0482 3.3679 3.3679 10.0524 10.0524 10.0644 10.0644 11.2516 11.2516 13.0650 13.0650 14.0633 14.0633 k = 0.2264 0.1913 0.0000 ( 1380 PWs) bands (ev): -31.0259 -31.0259 -13.0945 -13.0945 -12.2935 -12.2935 -11.9797 -11.9797 -11.7990 -11.7990 -0.9534 -0.9534 3.0163 3.0163 3.0350 3.0350 3.4340 3.4340 10.1303 10.1303 10.1425 10.1425 11.2122 11.2122 13.1018 13.1018 14.0774 14.0774 k = 0.2358 0.1992 0.0000 ( 1380 PWs) bands (ev): -31.0251 -31.0251 -13.0934 -13.0934 -12.2955 -12.2955 -11.9816 -11.9816 -11.8051 -11.8051 -0.9837 -0.9837 3.0032 3.0032 3.0220 3.0220 3.4965 3.4965 10.2091 10.2091 10.2215 10.2215 11.1730 11.1730 13.1388 13.1388 14.0918 14.0918 k = 0.2453 0.2072 0.0000 ( 1380 PWs) bands (ev): -31.0243 -31.0243 -13.0917 -13.0917 -12.2978 -12.2978 -11.9834 -11.9834 -11.8118 -11.8118 -1.0113 -1.0113 2.9902 2.9902 3.0092 3.0092 3.5552 3.5552 10.2885 10.2885 10.3010 10.3010 11.1343 11.1343 13.1758 13.1758 14.1063 14.1063 k = 0.2547 0.2152 0.0000 ( 1380 PWs) bands (ev): -31.0235 -31.0235 -13.0894 -13.0894 -12.3001 -12.3001 -11.9853 -11.9853 -11.8193 -11.8193 -1.0360 -1.0360 2.9776 2.9776 2.9966 2.9966 3.6101 3.6101 10.3681 10.3681 10.3809 10.3809 11.0961 11.0961 13.2126 13.2126 14.1208 14.1208 k = 0.2642 0.2231 0.0000 ( 1380 PWs) bands (ev): -31.0227 -31.0227 -13.0865 -13.0865 -12.3027 -12.3027 -11.9872 -11.9872 -11.8274 -11.8274 -1.0580 -1.0580 2.9652 2.9652 2.9843 2.9843 3.6610 3.6610 10.4478 10.4478 10.4607 10.4607 11.0585 11.0585 13.2490 13.2490 14.1354 14.1354 k = 0.2736 0.2311 0.0000 ( 1380 PWs) bands (ev): -31.0219 -31.0219 -13.0829 -13.0829 -12.3054 -12.3054 -11.9890 -11.9890 -11.8362 -11.8362 -1.0773 -1.0773 2.9531 2.9531 2.9724 2.9724 3.7078 3.7078 10.5271 10.5271 10.5402 10.5402 11.0217 11.0217 13.2850 13.2850 14.1500 14.1501 k = 0.2830 0.2391 0.0000 ( 1380 PWs) bands (ev): -31.0211 -31.0211 -13.0788 -13.0788 -12.3083 -12.3083 -11.9909 -11.9909 -11.8456 -11.8456 -1.0941 -1.0941 2.9415 2.9415 2.9609 2.9609 3.7506 3.7506 10.6058 10.6058 10.6192 10.6192 10.9858 10.9858 13.3203 13.3203 14.1646 14.1646 k = 0.2925 0.2470 0.0000 ( 1380 PWs) bands (ev): -31.0203 -31.0203 -13.0740 -13.0740 -12.3114 -12.3114 -11.9927 -11.9927 -11.8556 -11.8556 -1.1084 -1.1084 2.9302 2.9302 2.9497 2.9497 3.7894 3.7894 10.6837 10.6837 10.6972 10.6972 10.9508 10.9508 13.3550 13.3550 14.1790 14.1790 k = 0.3019 0.2550 0.0000 ( 1380 PWs) bands (ev): -31.0195 -31.0195 -13.0686 -13.0686 -12.3147 -12.3147 -11.9945 -11.9945 -11.8661 -11.8661 -1.1203 -1.1203 2.9193 2.9193 2.9389 2.9389 3.8243 3.8243 10.7603 10.7603 10.7740 10.7740 10.9168 10.9168 13.3888 13.3888 14.1933 14.1933 k = 0.3113 0.2630 0.0000 ( 1372 PWs) bands (ev): -31.0188 -31.0188 -13.0626 -13.0626 -12.3181 -12.3181 -11.9962 -11.9962 -11.8769 -11.8769 -1.1300 -1.1300 2.9088 2.9088 2.9286 2.9286 3.8553 3.8553 10.8354 10.8354 10.8493 10.8493 10.8839 10.8839 13.4218 13.4218 14.2073 14.2074 k = 0.3208 0.2710 0.0000 ( 1372 PWs) bands (ev): -31.0180 -31.0180 -13.0561 -13.0561 -12.3217 -12.3217 -11.9979 -11.9979 -11.8882 -11.8882 -1.1377 -1.1377 2.8988 2.8988 2.9187 2.9187 3.8825 3.8825 10.8522 10.8522 10.9087 10.9087 10.9228 10.9228 13.4538 13.4538 14.2211 14.2211 k = 0.3302 0.2789 0.0000 ( 1372 PWs) bands (ev): -31.0173 -31.0173 -13.0491 -13.0491 -12.3256 -12.3256 -11.9996 -11.9996 -11.8998 -11.8998 -1.1434 -1.1434 2.8893 2.8893 2.9093 2.9093 3.9061 3.9061 10.8217 10.8217 10.9799 10.9799 10.9941 10.9941 13.4849 13.4849 14.2346 14.2346 k = 0.3396 0.2869 0.0000 ( 1380 PWs) bands (ev): -31.0166 -31.0166 -13.0416 -13.0416 -12.3297 -12.3297 -12.0013 -12.0013 -11.9116 -11.9116 -1.1473 -1.1473 2.8802 2.8802 2.9003 2.9003 3.9263 3.9263 10.7926 10.7926 11.0486 11.0486 11.0630 11.0630 13.5150 13.5150 14.2476 14.2476 k = 0.3491 0.2949 0.0000 ( 1380 PWs) bands (ev): -31.0160 -31.0160 -13.0338 -13.0338 -12.3339 -12.3339 -12.0028 -12.0028 -11.9234 -11.9234 -1.1497 -1.1497 2.8717 2.8717 2.8919 2.8919 3.9434 3.9434 10.7648 10.7648 11.1147 11.1147 11.1292 11.1292 13.5441 13.5441 14.2602 14.2602 k = 0.3585 0.3028 0.0000 ( 1380 PWs) bands (ev): -31.0153 -31.0153 -13.0255 -13.0255 -12.3384 -12.3384 -12.0043 -12.0043 -11.9352 -11.9352 -1.1506 -1.1506 2.8636 2.8636 2.8839 2.8839 3.9575 3.9575 10.7385 10.7385 11.1778 11.1778 11.1925 11.1925 13.5721 13.5721 14.2724 14.2724 k = 0.3679 0.3108 0.0000 ( 1372 PWs) bands (ev): -31.0147 -31.0147 -13.0170 -13.0170 -12.3429 -12.3429 -12.0057 -12.0057 -11.9468 -11.9468 -1.1503 -1.1503 2.8560 2.8560 2.8765 2.8765 3.9689 3.9689 10.7136 10.7136 11.2377 11.2377 11.2526 11.2526 13.5991 13.5991 14.2840 14.2841 k = 0.3774 0.3188 0.0000 ( 1376 PWs) bands (ev): -31.0141 -31.0141 -13.0082 -13.0082 -12.3477 -12.3477 -12.0070 -12.0070 -11.9583 -11.9583 -1.1490 -1.1490 2.8490 2.8490 2.8695 2.8695 3.9779 3.9779 10.6903 10.6903 11.2943 11.2943 11.3092 11.3092 13.6250 13.6250 14.2951 14.2951 k = 0.3868 0.3267 0.0000 ( 1384 PWs) bands (ev): -31.0136 -31.0136 -12.9994 -12.9994 -12.3527 -12.3527 -12.0083 -12.0083 -11.9694 -11.9694 -1.1468 -1.1468 2.8424 2.8424 2.8630 2.8630 3.9846 3.9846 10.6685 10.6685 11.3471 11.3471 11.3622 11.3622 13.6497 13.6497 14.3055 14.3055 k = 0.3962 0.3347 0.0000 ( 1384 PWs) bands (ev): -31.0131 -31.0131 -12.9906 -12.9906 -12.3577 -12.3577 -12.0095 -12.0095 -11.9799 -11.9799 -1.1440 -1.1440 2.8364 2.8364 2.8571 2.8571 3.9896 3.9896 10.6484 10.6484 11.3962 11.3962 11.4114 11.4114 13.6730 13.6730 14.3153 14.3153 k = 0.4057 0.3427 0.0000 ( 1384 PWs) bands (ev): -31.0126 -31.0126 -12.9818 -12.9818 -12.3628 -12.3628 -12.0106 -12.0106 -11.9900 -11.9900 -1.1407 -1.1407 2.8309 2.8309 2.8517 2.8517 3.9929 3.9929 10.6298 10.6298 11.4414 11.4414 11.4566 11.4566 13.6950 13.6950 14.3244 14.3244 k = 0.4151 0.3506 0.0000 ( 1384 PWs) bands (ev): -31.0122 -31.0122 -12.9733 -12.9733 -12.3678 -12.3678 -12.0116 -12.0116 -11.9993 -11.9993 -1.1370 -1.1370 2.8260 2.8260 2.8468 2.8468 3.9950 3.9950 10.6130 10.6130 11.4825 11.4825 11.4978 11.4978 13.7155 13.7155 14.3328 14.3328 k = 0.4245 0.3586 0.0000 ( 1376 PWs) bands (ev): -31.0118 -31.0118 -12.9652 -12.9652 -12.3727 -12.3727 -12.0124 -12.0124 -12.0078 -12.0078 -1.1332 -1.1332 2.8215 2.8215 2.8425 2.8425 3.9960 3.9960 10.5979 10.5979 11.5195 11.5195 11.5349 11.5349 13.7344 13.7344 14.3404 14.3404 k = 0.4340 0.3666 0.0000 ( 1376 PWs) bands (ev): -31.0114 -31.0114 -12.9575 -12.9575 -12.3774 -12.3774 -12.0156 -12.0156 -12.0132 -12.0132 -1.1295 -1.1295 2.8176 2.8176 2.8386 2.8386 3.9963 3.9963 10.5844 10.5844 11.5522 11.5522 11.5677 11.5677 13.7514 13.7514 14.3472 14.3472 k = 0.4434 0.3746 0.0000 ( 1376 PWs) bands (ev): -31.0111 -31.0111 -12.9505 -12.9505 -12.3819 -12.3819 -12.0224 -12.0224 -12.0139 -12.0139 -1.1259 -1.1259 2.8142 2.8142 2.8352 2.8352 3.9959 3.9959 10.5728 10.5728 11.5806 11.5806 11.5962 11.5962 13.7665 13.7665 14.3531 14.3531 k = 0.4528 0.3825 0.0000 ( 1376 PWs) bands (ev): -31.0109 -31.0109 -12.9442 -12.9442 -12.3859 -12.3859 -12.0283 -12.0283 -12.0145 -12.0145 -1.1226 -1.1226 2.8114 2.8114 2.8324 2.8324 3.9953 3.9953 10.5629 10.5629 11.6047 11.6047 11.6203 11.6203 13.7796 13.7796 14.3581 14.3581 k = 0.4623 0.3905 0.0000 ( 1380 PWs) bands (ev): -31.0107 -31.0107 -12.9388 -12.9388 -12.3895 -12.3895 -12.0332 -12.0332 -12.0150 -12.0150 -1.1198 -1.1198 2.8090 2.8090 2.8301 2.8301 3.9945 3.9945 10.5547 10.5547 11.6244 11.6244 11.6401 11.6401 13.7905 13.7905 14.3623 14.3623 k = 0.4717 0.3985 0.0000 ( 1384 PWs) bands (ev): -31.0105 -31.0105 -12.9345 -12.9345 -12.3923 -12.3923 -12.0371 -12.0371 -12.0154 -12.0154 -1.1175 -1.1175 2.8072 2.8072 2.8283 2.8283 3.9937 3.9937 10.5484 10.5484 11.6398 11.6398 11.6555 11.6555 13.7990 13.7990 14.3656 14.3656 k = 0.4811 0.4064 0.0000 ( 1384 PWs) bands (ev): -31.0104 -31.0104 -12.9314 -12.9314 -12.3945 -12.3945 -12.0398 -12.0398 -12.0157 -12.0157 -1.1158 -1.1158 2.8059 2.8059 2.8270 2.8270 3.9930 3.9930 10.5439 10.5439 11.6507 11.6507 11.6664 11.6664 13.8052 13.8052 14.3679 14.3679 k = 0.4906 0.4144 0.0000 ( 1372 PWs) bands (ev): -31.0103 -31.0103 -12.9294 -12.9294 -12.3957 -12.3957 -12.0414 -12.0414 -12.0157 -12.0157 -1.1147 -1.1147 2.8051 2.8051 2.8262 2.8262 3.9926 3.9926 10.5413 10.5413 11.6574 11.6574 11.6732 11.6732 13.8090 13.8090 14.3694 14.3694 k = 0.5000 0.4224 0.0000 ( 1364 PWs) bands (ev): -31.0103 -31.0103 -12.9288 -12.9288 -12.3961 -12.3961 -12.0419 -12.0419 -12.0158 -12.0158 -1.1144 -1.1144 2.8048 2.8048 2.8260 2.8260 3.9925 3.9925 10.5404 10.5404 11.6597 11.6597 11.6754 11.6754 13.8103 13.8103 14.3699 14.3699 k = 0.5000 0.4224 0.0000 ( 1364 PWs) bands (ev): -31.0103 -31.0103 -12.9288 -12.9288 -12.3961 -12.3961 -12.0419 -12.0419 -12.0158 -12.0158 -1.1144 -1.1144 2.8048 2.8048 2.8260 2.8260 3.9925 3.9925 10.5404 10.5404 11.6597 11.6597 11.6754 11.6754 13.8103 13.8103 14.3699 14.3699 k = 0.4945 0.4289 0.0086 ( 1380 PWs) bands (ev): -31.0103 -31.0103 -12.9306 -12.9306 -12.3953 -12.3953 -12.0416 -12.0416 -12.0151 -12.0151 -1.1141 -1.1141 2.8038 2.8038 2.8249 2.8249 3.9921 3.9921 10.5430 10.5430 11.6586 11.6586 11.6744 11.6744 13.8132 13.8132 14.3715 14.3715 k = 0.4889 0.4355 0.0172 ( 1382 PWs) bands (ev): -31.0102 -31.0102 -12.9359 -12.9359 -12.3929 -12.3929 -12.0406 -12.0406 -12.0127 -12.0127 -1.1132 -1.1132 2.8004 2.8004 2.8220 2.8220 3.9909 3.9909 10.5510 10.5510 11.6552 11.6552 11.6719 11.6719 13.8220 13.8220 14.3765 14.3765 k = 0.4834 0.4421 0.0258 ( 1384 PWs) bands (ev): -31.0101 -31.0101 -12.9445 -12.9445 -12.3890 -12.3890 -12.0391 -12.0391 -12.0085 -12.0085 -1.1117 -1.1117 2.7943 2.7943 2.8176 2.8176 3.9889 3.9889 10.5643 10.5643 11.6488 11.6488 11.6689 11.6689 13.8366 13.8366 14.3849 14.3849 k = 0.4778 0.4486 0.0344 ( 1382 PWs) bands (ev): -31.0100 -31.0100 -12.9562 -12.9562 -12.3838 -12.3838 -12.0373 -12.0373 -12.0023 -12.0023 -1.1096 -1.1096 2.7850 2.7850 2.8125 2.8125 3.9861 3.9861 10.5829 10.5829 11.6386 11.6386 11.6658 11.6658 13.8571 13.8571 14.3965 14.3965 k = 0.4723 0.4552 0.0430 ( 1382 PWs) bands (ev): -31.0099 -31.0099 -12.9707 -12.9707 -12.3776 -12.3776 -12.0355 -12.0355 -11.9941 -11.9941 -1.1070 -1.1070 2.7721 2.7721 2.8068 2.8068 3.9825 3.9825 10.6067 10.6067 11.6247 11.6247 11.6627 11.6627 13.8832 13.8832 14.4115 14.4115 k = 0.4667 0.4618 0.0516 ( 1378 PWs) bands (ev): -31.0097 -31.0097 -12.9875 -12.9875 -12.3707 -12.3707 -12.0336 -12.0336 -11.9837 -11.9837 -1.1037 -1.1037 2.7559 2.7559 2.8007 2.8007 3.9782 3.9782 10.6357 10.6357 11.6073 11.6073 11.6593 11.6593 13.9149 13.9149 14.4296 14.4296 k = 0.4612 0.4683 0.0601 ( 1378 PWs) bands (ev): -31.0095 -31.0095 -13.0064 -13.0064 -12.3635 -12.3635 -12.0317 -12.0317 -11.9714 -11.9714 -1.0999 -1.0999 2.7366 2.7366 2.7940 2.7940 3.9731 3.9731 10.6697 10.6697 11.5865 11.5865 11.6554 11.6554 13.9521 13.9521 14.4509 14.4509 k = 0.4556 0.4749 0.0687 ( 1382 PWs) bands (ev): -31.0092 -31.0092 -13.0270 -13.0270 -12.3560 -12.3560 -12.0297 -12.0297 -11.9573 -11.9573 -1.0955 -1.0955 2.7143 2.7143 2.7866 2.7866 3.9671 3.9671 10.7087 10.7087 11.5625 11.5625 11.6509 11.6509 13.9947 13.9947 14.4752 14.4752 k = 0.4501 0.4814 0.0773 ( 1386 PWs) bands (ev): -31.0090 -31.0090 -13.0490 -13.0490 -12.3485 -12.3485 -12.0277 -12.0277 -11.9416 -11.9416 -1.0905 -1.0905 2.6894 2.6894 2.7786 2.7786 3.9604 3.9604 10.7525 10.7525 11.5353 11.5353 11.6458 11.6458 14.0423 14.0423 14.5025 14.5025 k = 0.4446 0.4880 0.0859 ( 1384 PWs) bands (ev): -31.0087 -31.0087 -13.0722 -13.0722 -12.3410 -12.3410 -12.0255 -12.0255 -11.9243 -11.9243 -1.0848 -1.0848 2.6621 2.6621 2.7700 2.7700 3.9530 3.9530 10.8011 10.8011 11.5050 11.5050 11.6399 11.6399 14.0950 14.0950 14.5329 14.5329 k = 0.4390 0.4946 0.0945 ( 1384 PWs) bands (ev): -31.0083 -31.0083 -13.0962 -13.0962 -12.3337 -12.3337 -12.0232 -12.0232 -11.9058 -11.9058 -1.0787 -1.0787 2.6325 2.6325 2.7607 2.7607 3.9447 3.9447 10.8542 10.8542 11.4718 11.4718 11.6332 11.6332 14.1524 14.1524 14.5659 14.5659 k = 0.4335 0.5011 0.1031 ( 1380 PWs) bands (ev): -31.0080 -31.0080 -13.1209 -13.1209 -12.3266 -12.3266 -12.0207 -12.0207 -11.8861 -11.8861 -1.0719 -1.0719 2.6009 2.6009 2.7508 2.7508 3.9357 3.9357 10.9119 10.9119 11.4358 11.4358 11.6256 11.6256 14.2143 14.2143 14.6017 14.6017 k = 0.4279 0.5077 0.1117 ( 1380 PWs) bands (ev): -31.0076 -31.0076 -13.1461 -13.1461 -12.3197 -12.3197 -12.0181 -12.0181 -11.8656 -11.8656 -1.0645 -1.0645 2.5674 2.5674 2.7404 2.7404 3.9260 3.9260 10.9738 10.9738 11.3969 11.3969 11.6171 11.6171 14.2805 14.2805 14.6400 14.6400 k = 0.4224 0.5143 0.1203 ( 1380 PWs) bands (ev): -31.0073 -31.0073 -13.1717 -13.1717 -12.3131 -12.3131 -12.0154 -12.0154 -11.8443 -11.8443 -1.0565 -1.0565 2.5323 2.5323 2.7295 2.7295 3.9155 3.9155 11.0399 11.0399 11.3553 11.3553 11.6074 11.6074 14.3506 14.3506 14.6807 14.6807 k = 0.4168 0.5208 0.1289 ( 1376 PWs) bands (ev): -31.0069 -31.0069 -13.1974 -13.1974 -12.3066 -12.3066 -12.0126 -12.0126 -11.8225 -11.8225 -1.0480 -1.0480 2.4958 2.4958 2.7183 2.7183 3.9043 3.9043 11.1100 11.1100 11.3112 11.3112 11.5966 11.5966 14.4244 14.4244 14.7236 14.7236 k = 0.4113 0.5274 0.1375 ( 1384 PWs) bands (ev): -31.0065 -31.0065 -13.2231 -13.2231 -12.3005 -12.3005 -12.0096 -12.0096 -11.8003 -11.8003 -1.0389 -1.0389 2.4581 2.4581 2.7066 2.7066 3.8923 3.8923 11.1839 11.1839 11.2645 11.2645 11.5845 11.5845 14.5015 14.5015 14.7311 14.7311 k = 0.4057 0.5340 0.1461 ( 1384 PWs) bands (ev): -31.0061 -31.0061 -13.2488 -13.2488 -12.2945 -12.2945 -12.0065 -12.0065 -11.7778 -11.7778 -1.0292 -1.0292 2.4193 2.4193 2.6947 2.6947 3.8796 3.8796 11.2157 11.2157 11.2616 11.2616 11.5711 11.5711 14.5815 14.5815 14.6933 14.6933 k = 0.4002 0.5405 0.1547 ( 1378 PWs) bands (ev): -31.0056 -31.0056 -13.2743 -13.2743 -12.2887 -12.2887 -12.0032 -12.0032 -11.7550 -11.7550 -1.0189 -1.0189 2.3797 2.3797 2.6826 2.6826 3.8662 3.8662 11.1647 11.1647 11.3428 11.3428 11.5563 11.5563 14.6563 14.6563 14.6651 14.6651 k = 0.3946 0.5471 0.1633 ( 1374 PWs) bands (ev): -31.0052 -31.0052 -13.2996 -13.2996 -12.2830 -12.2830 -11.9998 -11.9998 -11.7323 -11.7323 -1.0081 -1.0081 2.3395 2.3395 2.6703 2.6703 3.8522 3.8522 11.1117 11.1117 11.4272 11.4272 11.5400 11.5400 14.6234 14.6234 14.7490 14.7490 k = 0.3891 0.5537 0.1718 ( 1370 PWs) bands (ev): -31.0048 -31.0048 -13.3245 -13.3245 -12.2774 -12.2774 -11.9963 -11.9963 -11.7097 -11.7097 -0.9967 -0.9967 2.2989 2.2989 2.6580 2.6580 3.8375 3.8375 11.0569 11.0569 11.5146 11.5146 11.5221 11.5221 14.5919 14.5919 14.8354 14.8354 k = 0.3836 0.5602 0.1804 ( 1370 PWs) bands (ev): -31.0044 -31.0044 -13.3490 -13.3490 -12.2720 -12.2720 -11.9927 -11.9927 -11.6874 -11.6874 -0.9847 -0.9847 2.2580 2.2580 2.6457 2.6457 3.8221 3.8221 11.0005 11.0005 11.5026 11.5026 11.6049 11.6049 14.5627 14.5627 14.9225 14.9225 k = 0.3780 0.5668 0.1890 ( 1370 PWs) bands (ev): -31.0040 -31.0040 -13.3729 -13.3729 -12.2667 -12.2667 -11.9889 -11.9889 -11.6653 -11.6653 -0.9721 -0.9721 2.2170 2.2170 2.6335 2.6335 3.8061 3.8061 10.9426 10.9426 11.4813 11.4813 11.6979 11.6979 14.5359 14.5359 14.9385 14.9385 k = 0.3725 0.5733 0.1976 ( 1370 PWs) bands (ev): -31.0036 -31.0036 -13.3964 -13.3964 -12.2616 -12.2616 -11.9851 -11.9851 -11.6436 -11.6436 -0.9590 -0.9590 2.1762 2.1762 2.6215 2.6215 3.7895 3.7895 10.8834 10.8834 11.4583 11.4583 11.7934 11.7934 14.5116 14.5116 14.9230 14.9230 k = 0.3669 0.5799 0.2062 ( 1374 PWs) bands (ev): -31.0032 -31.0032 -13.4192 -13.4192 -12.2565 -12.2565 -11.9813 -11.9813 -11.6224 -11.6224 -0.9454 -0.9454 2.1356 2.1356 2.6097 2.6097 3.7723 3.7723 10.8231 10.8231 11.4335 11.4335 11.8910 11.8910 14.4899 14.4899 14.9087 14.9087 k = 0.3614 0.5865 0.2148 ( 1362 PWs) bands (ev): -31.0028 -31.0028 -13.4413 -13.4413 -12.2514 -12.2514 -11.9772 -11.9772 -11.6016 -11.6016 -0.9312 -0.9312 2.0955 2.0955 2.5982 2.5982 3.7546 3.7546 10.7619 10.7619 11.4069 11.4069 11.9906 11.9906 14.4708 14.4708 14.8961 14.8961 k = 0.3558 0.5930 0.2234 ( 1362 PWs) bands (ev): -31.0025 -31.0025 -13.4627 -13.4627 -12.2465 -12.2465 -11.9732 -11.9732 -11.5815 -11.5815 -0.9164 -0.9164 2.0560 2.0560 2.5871 2.5871 3.7363 3.7363 10.6999 10.6999 11.3783 11.3783 12.0918 12.0918 14.4540 14.4540 14.8852 14.8852 k = 0.3503 0.5996 0.2320 ( 1361 PWs) bands (ev): -31.0021 -31.0021 -13.4834 -13.4834 -12.2417 -12.2417 -11.9691 -11.9691 -11.5621 -11.5621 -0.9012 -0.9012 2.0172 2.0172 2.5764 2.5764 3.7175 3.7175 10.6374 10.6374 11.3479 11.3479 12.1944 12.1944 14.4398 14.4398 14.8762 14.8762 k = 0.3447 0.6062 0.2406 ( 1357 PWs) bands (ev): -31.0018 -31.0018 -13.5032 -13.5032 -12.2369 -12.2369 -11.9648 -11.9648 -11.5434 -11.5434 -0.8854 -0.8854 1.9793 1.9793 2.5662 2.5662 3.6983 3.6983 10.5745 10.5745 11.3157 11.3157 12.2981 12.2981 14.4282 14.4282 14.8693 14.8693 k = 0.3392 0.6127 0.2492 ( 1357 PWs) bands (ev): -31.0015 -31.0015 -13.5222 -13.5222 -12.2323 -12.2323 -11.9606 -11.9606 -11.5254 -11.5254 -0.8691 -0.8691 1.9424 1.9424 2.5567 2.5567 3.6786 3.6786 10.5113 10.5113 11.2815 11.2815 12.4024 12.4024 14.4189 14.4189 14.8644 14.8644 k = 0.3392 0.6127 0.2492 ( 1357 PWs) bands (ev): -31.0015 -31.0015 -13.5222 -13.5222 -12.2323 -12.2323 -11.9606 -11.9606 -11.5254 -11.5254 -0.8691 -0.8691 1.9424 1.9424 2.5567 2.5567 3.6786 3.6786 10.5113 10.5113 11.2815 11.2815 12.4024 12.4024 14.4189 14.4189 14.8644 14.8644 k = 0.3283 0.6093 0.2536 ( 1358 PWs) bands (ev): -31.0014 -31.0014 -13.5318 -13.5318 -12.2298 -12.2298 -11.9583 -11.9583 -11.5163 -11.5163 -0.8611 -0.8611 1.9243 1.9243 2.5520 2.5520 3.6684 3.6684 10.4784 10.4784 11.2627 11.2627 12.4573 12.4573 14.4136 14.4136 14.8615 14.8615 k = 0.3173 0.6059 0.2581 ( 1360 PWs) bands (ev): -31.0013 -31.0013 -13.5415 -13.5415 -12.2272 -12.2272 -11.9557 -11.9557 -11.5072 -11.5072 -0.8545 -0.8545 1.9076 1.9076 2.5476 2.5476 3.6589 3.6589 10.4457 10.4457 11.2430 11.2430 12.5132 12.5132 14.4058 14.4058 14.8568 14.8568 k = 0.3064 0.6025 0.2626 ( 1360 PWs) bands (ev): -31.0013 -31.0013 -13.5513 -13.5513 -12.2244 -12.2244 -11.9529 -11.9529 -11.4981 -11.4981 -0.8492 -0.8492 1.8926 1.8926 2.5436 2.5436 3.6498 3.6498 10.4133 10.4133 11.2226 11.2226 12.5701 12.5701 14.3956 14.3956 14.8504 14.8504 k = 0.2954 0.5991 0.2670 ( 1360 PWs) bands (ev): -31.0012 -31.0012 -13.5611 -13.5611 -12.2214 -12.2214 -11.9498 -11.9498 -11.4890 -11.4890 -0.8455 -0.8455 1.8792 1.8792 2.5398 2.5398 3.6413 3.6413 10.3814 10.3814 11.2017 11.2017 12.6277 12.6277 14.3829 14.3829 14.8421 14.8421 k = 0.2845 0.5957 0.2715 ( 1356 PWs) bands (ev): -31.0012 -31.0012 -13.5709 -13.5709 -12.2183 -12.2183 -11.9465 -11.9465 -11.4799 -11.4799 -0.8432 -0.8432 1.8676 1.8676 2.5363 2.5363 3.6334 3.6334 10.3503 10.3503 11.1806 11.1806 12.6859 12.6859 14.3679 14.3679 14.8320 14.8320 k = 0.2735 0.5923 0.2759 ( 1356 PWs) bands (ev): -31.0012 -31.0012 -13.5806 -13.5806 -12.2151 -12.2151 -11.9430 -11.9430 -11.4709 -11.4709 -0.8424 -0.8424 1.8577 1.8577 2.5331 2.5331 3.6260 3.6260 10.3201 10.3201 11.1592 11.1592 12.7443 12.7443 14.3506 14.3506 14.8202 14.8202 k = 0.2626 0.5889 0.2804 ( 1360 PWs) bands (ev): -31.0012 -31.0012 -13.5903 -13.5903 -12.2119 -12.2119 -11.9394 -11.9394 -11.4620 -11.4620 -0.8430 -0.8430 1.8495 1.8495 2.5300 2.5300 3.6191 3.6191 10.2910 10.2910 11.1379 11.1379 12.8029 12.8029 14.3314 14.3314 14.8066 14.8066 k = 0.2517 0.5855 0.2849 ( 1358 PWs) bands (ev): -31.0012 -31.0012 -13.5999 -13.5999 -12.2085 -12.2085 -11.9356 -11.9356 -11.4532 -11.4532 -0.8452 -0.8452 1.8430 1.8430 2.5273 2.5273 3.6128 3.6128 10.2631 10.2631 11.1168 11.1168 12.8613 12.8613 14.3105 14.3105 14.7916 14.7916 k = 0.2407 0.5821 0.2893 ( 1360 PWs) bands (ev): -31.0013 -31.0013 -13.6093 -13.6093 -12.2052 -12.2052 -11.9317 -11.9317 -11.4445 -11.4445 -0.8487 -0.8487 1.8382 1.8382 2.5247 2.5247 3.6069 3.6069 10.2365 10.2365 11.0959 11.0959 12.9192 12.9192 14.2881 14.2881 14.7751 14.7751 k = 0.2298 0.5787 0.2938 ( 1362 PWs) bands (ev): -31.0013 -31.0013 -13.6187 -13.6187 -12.2019 -12.2019 -11.9276 -11.9276 -11.4359 -11.4359 -0.8535 -0.8535 1.8350 1.8350 2.5223 2.5223 3.6015 3.6015 10.2113 10.2113 11.0755 11.0755 12.9765 12.9765 14.2646 14.2646 14.7576 14.7576 k = 0.2188 0.5753 0.2982 ( 1363 PWs) bands (ev): -31.0014 -31.0014 -13.6278 -13.6278 -12.1986 -12.1986 -11.9235 -11.9235 -11.4276 -11.4276 -0.8594 -0.8594 1.8334 1.8334 2.5201 2.5201 3.5966 3.5966 10.1876 10.1876 11.0557 11.0557 13.0328 13.0328 14.2405 14.2405 14.7389 14.7389 k = 0.2079 0.5719 0.3027 ( 1363 PWs) bands (ev): -31.0015 -31.0015 -13.6366 -13.6366 -12.1954 -12.1954 -11.9194 -11.9194 -11.4193 -11.4193 -0.8665 -0.8665 1.8331 1.8331 2.5181 2.5181 3.5921 3.5921 10.1654 10.1654 11.0364 11.0364 13.0877 13.0877 14.2161 14.2161 14.7194 14.7194 k = 0.1970 0.5684 0.3071 ( 1365 PWs) bands (ev): -31.0016 -31.0016 -13.6453 -13.6453 -12.1922 -12.1922 -11.9152 -11.9152 -11.4113 -11.4113 -0.8745 -0.8745 1.8342 1.8342 2.5163 2.5163 3.5879 3.5879 10.1447 10.1447 11.0178 11.0178 13.1409 13.1409 14.1918 14.1918 14.6993 14.6993 k = 0.1860 0.5650 0.3116 ( 1366 PWs) bands (ev): -31.0016 -31.0016 -13.6536 -13.6536 -12.1891 -12.1891 -11.9110 -11.9110 -11.4036 -11.4036 -0.8833 -0.8833 1.8365 1.8365 2.5146 2.5146 3.5842 3.5842 10.1255 10.1255 11.0000 11.0000 13.1920 13.1920 14.1682 14.1682 14.6788 14.6788 k = 0.1751 0.5616 0.3161 ( 1366 PWs) bands (ev): -31.0017 -31.0017 -13.6617 -13.6617 -12.1861 -12.1861 -11.9069 -11.9069 -11.3961 -11.3961 -0.8927 -0.8927 1.8397 1.8397 2.5131 2.5131 3.5808 3.5808 10.1079 10.1079 10.9831 10.9831 13.2405 13.2405 14.1457 14.1457 14.6582 14.6582 k = 0.1641 0.5582 0.3205 ( 1364 PWs) bands (ev): -31.0018 -31.0018 -13.6694 -13.6694 -12.1832 -12.1832 -11.9028 -11.9028 -11.3888 -11.3888 -0.9026 -0.9026 1.8439 1.8439 2.5117 2.5117 3.5776 3.5776 10.0919 10.0919 10.9670 10.9670 13.2860 13.2860 14.1249 14.1249 14.6375 14.6375 k = 0.1532 0.5548 0.3250 ( 1362 PWs) bands (ev): -31.0019 -31.0019 -13.6767 -13.6767 -12.1805 -12.1805 -11.8988 -11.8988 -11.3819 -11.3819 -0.9128 -0.9128 1.8487 1.8487 2.5104 2.5104 3.5748 3.5748 10.0773 10.0773 10.9518 10.9518 13.3280 13.3280 14.1063 14.1063 14.6171 14.6171 k = 0.1422 0.5514 0.3294 ( 1360 PWs) bands (ev): -31.0020 -31.0020 -13.6836 -13.6836 -12.1778 -12.1778 -11.8950 -11.8950 -11.3753 -11.3753 -0.9232 -0.9232 1.8541 1.8541 2.5093 2.5093 3.5722 3.5722 10.0641 10.0641 10.9376 10.9376 13.3660 13.3660 14.0903 14.0903 14.5971 14.5971 k = 0.1313 0.5480 0.3339 ( 1360 PWs) bands (ev): -31.0021 -31.0021 -13.6902 -13.6902 -12.1754 -12.1754 -11.8913 -11.8913 -11.3691 -11.3691 -0.9335 -0.9335 1.8599 1.8599 2.5083 2.5083 3.5699 3.5699 10.0524 10.0524 10.9244 10.9244 13.3996 13.3996 14.0773 14.0773 14.5778 14.5778 k = 0.1204 0.5446 0.3384 ( 1360 PWs) bands (ev): -31.0022 -31.0022 -13.6963 -13.6963 -12.1731 -12.1731 -11.8878 -11.8878 -11.3633 -11.3633 -0.9436 -0.9436 1.8658 1.8658 2.5074 2.5074 3.5678 3.5678 10.0420 10.0420 10.9122 10.9122 13.4284 13.4284 14.0677 14.0677 14.5592 14.5592 k = 0.1094 0.5412 0.3428 ( 1360 PWs) bands (ev): -31.0023 -31.0023 -13.7019 -13.7019 -12.1710 -12.1710 -11.8845 -11.8845 -11.3579 -11.3579 -0.9534 -0.9534 1.8719 1.8719 2.5065 2.5065 3.5659 3.5659 10.0328 10.0328 10.9010 10.9010 13.4523 13.4523 14.0617 14.0617 14.5417 14.5417 k = 0.0985 0.5378 0.3473 ( 1357 PWs) bands (ev): -31.0024 -31.0024 -13.7071 -13.7071 -12.1691 -12.1691 -11.8814 -11.8814 -11.3530 -11.3530 -0.9628 -0.9628 1.8778 1.8778 2.5058 2.5058 3.5642 3.5642 10.0248 10.0248 10.8909 10.8909 13.4713 13.4713 14.0590 14.0590 14.5253 14.5253 k = 0.0875 0.5344 0.3517 ( 1357 PWs) bands (ev): -31.0025 -31.0025 -13.7117 -13.7117 -12.1673 -12.1673 -11.8786 -11.8786 -11.3484 -11.3484 -0.9715 -0.9715 1.8836 1.8836 2.5052 2.5052 3.5627 3.5627 10.0180 10.0180 10.8818 10.8818 13.4858 13.4858 14.0594 14.0594 14.5102 14.5102 k = 0.0766 0.5310 0.3562 ( 1359 PWs) bands (ev): -31.0026 -31.0026 -13.7159 -13.7159 -12.1658 -12.1658 -11.8761 -11.8761 -11.3444 -11.3444 -0.9795 -0.9795 1.8889 1.8889 2.5047 2.5047 3.5614 3.5614 10.0121 10.0121 10.8738 10.8738 13.4962 13.4962 14.0622 14.0622 14.4966 14.4966 k = 0.0657 0.5276 0.3607 ( 1359 PWs) bands (ev): -31.0026 -31.0026 -13.7195 -13.7195 -12.1645 -12.1645 -11.8739 -11.8739 -11.3409 -11.3409 -0.9866 -0.9866 1.8938 1.8938 2.5042 2.5042 3.5602 3.5602 10.0072 10.0072 10.8668 10.8668 13.5034 13.5034 14.0668 14.0668 14.4845 14.4845 k = 0.0547 0.5242 0.3651 ( 1359 PWs) bands (ev): -31.0027 -31.0027 -13.7226 -13.7226 -12.1633 -12.1633 -11.8720 -11.8720 -11.3379 -11.3379 -0.9929 -0.9929 1.8982 1.8982 2.5038 2.5038 3.5593 3.5593 10.0032 10.0032 10.8609 10.8609 13.5079 13.5079 14.0723 14.0723 14.4741 14.4741 k = 0.0438 0.5208 0.3696 ( 1358 PWs) bands (ev): -31.0027 -31.0027 -13.7251 -13.7251 -12.1624 -12.1624 -11.8704 -11.8704 -11.3354 -11.3354 -0.9981 -0.9981 1.9019 1.9019 2.5035 2.5035 3.5585 3.5585 10.0001 10.0001 10.8561 10.8561 13.5105 13.5105 14.0778 14.0778 14.4655 14.4655 k = 0.0328 0.5174 0.3740 ( 1356 PWs) bands (ev): -31.0028 -31.0028 -13.7271 -13.7271 -12.1616 -12.1616 -11.8691 -11.8691 -11.3334 -11.3334 -1.0022 -1.0022 1.9048 1.9048 2.5032 2.5032 3.5579 3.5579 9.9977 9.9977 10.8523 10.8523 13.5119 13.5119 14.0830 14.0830 14.4587 14.4587 k = 0.0219 0.5139 0.3785 ( 1352 PWs) bands (ev): -31.0028 -31.0028 -13.7285 -13.7285 -12.1611 -12.1611 -11.8682 -11.8682 -11.3320 -11.3320 -1.0052 -1.0052 1.9070 1.9070 2.5031 2.5031 3.5575 3.5575 9.9960 9.9960 10.8497 10.8497 13.5125 13.5125 14.0870 14.0870 14.4538 14.4538 k = 0.0109 0.5105 0.3829 ( 1351 PWs) bands (ev): -31.0028 -31.0028 -13.7294 -13.7294 -12.1608 -12.1608 -11.8676 -11.8676 -11.3312 -11.3312 -1.0070 -1.0070 1.9083 1.9083 2.5030 2.5030 3.5572 3.5572 9.9950 9.9950 10.8481 10.8481 13.5127 13.5127 14.0896 14.0896 14.4508 14.4508 k = 0.0000 0.5071 0.3874 ( 1352 PWs) bands (ev): -31.0028 -31.0028 -13.7297 -13.7297 -12.1607 -12.1607 -11.8675 -11.8675 -11.3309 -11.3309 -1.0076 -1.0076 1.9087 1.9087 2.5030 2.5030 3.5571 3.5571 9.9947 9.9947 10.8475 10.8475 13.5128 13.5128 14.0905 14.0905 14.4498 14.4498 k = 0.0000 0.5071 0.3874 ( 1352 PWs) bands (ev): -31.0028 -31.0028 -13.7297 -13.7297 -12.1607 -12.1607 -11.8675 -11.8675 -11.3309 -11.3309 -1.0076 -1.0076 1.9087 1.9087 2.5030 2.5030 3.5571 3.5571 9.9947 9.9947 10.8475 10.8475 13.5128 13.5128 14.0905 14.0905 14.4498 14.4498 k = 0.0057 0.5004 0.3962 ( 1350 PWs) bands (ev): -31.0028 -31.0028 -13.7291 -13.7291 -12.1609 -12.1609 -11.8676 -11.8676 -11.3316 -11.3316 -1.0072 -1.0072 1.9094 1.9094 2.5028 2.5028 3.5574 3.5574 9.9931 9.9931 10.8435 10.8435 13.5166 13.5166 14.0926 14.0926 14.4519 14.4519 k = 0.0114 0.4937 0.4050 ( 1352 PWs) bands (ev): -31.0027 -31.0027 -13.7274 -13.7274 -12.1617 -12.1617 -11.8679 -11.8679 -11.3337 -11.3337 -1.0059 -1.0059 1.9113 1.9113 2.5024 2.5024 3.5583 3.5583 9.9883 9.9883 10.8312 10.8312 13.5277 13.5277 14.0987 14.0987 14.4581 14.4581 k = 0.0170 0.4870 0.4138 ( 1354 PWs) bands (ev): -31.0026 -31.0026 -13.7245 -13.7245 -12.1629 -12.1629 -11.8686 -11.8686 -11.3372 -11.3372 -1.0039 -1.0039 1.9147 1.9147 2.5017 2.5017 3.5597 3.5597 9.9804 9.9804 10.8112 10.8112 13.5460 13.5460 14.1090 14.1090 14.4683 14.4683 k = 0.0227 0.4802 0.4226 ( 1356 PWs) bands (ev): -31.0024 -31.0024 -13.7206 -13.7206 -12.1647 -12.1647 -11.8694 -11.8694 -11.3422 -11.3422 -1.0010 -1.0010 1.9193 1.9193 2.5007 2.5007 3.5616 3.5616 9.9694 9.9694 10.7839 10.7839 13.5708 13.5708 14.1235 14.1235 14.4824 14.4824 k = 0.0284 0.4735 0.4314 ( 1358 PWs) bands (ev): -31.0022 -31.0022 -13.7155 -13.7155 -12.1669 -12.1669 -11.8705 -11.8705 -11.3484 -11.3484 -0.9973 -0.9973 1.9252 1.9252 2.4995 2.4995 3.5641 3.5641 9.9554 9.9554 10.7498 10.7498 13.6017 13.6017 14.1422 14.1422 14.5003 14.5003 k = 0.0341 0.4668 0.4402 ( 1360 PWs) bands (ev): -31.0020 -31.0020 -13.7092 -13.7092 -12.1696 -12.1696 -11.8718 -11.8718 -11.3561 -11.3561 -0.9929 -0.9929 1.9323 1.9323 2.4980 2.4980 3.5671 3.5671 9.9386 9.9386 10.7095 10.7095 13.6379 13.6379 14.1652 14.1652 14.5219 14.5219 k = 0.0398 0.4601 0.4490 ( 1358 PWs) bands (ev): -31.0017 -31.0017 -13.7019 -13.7019 -12.1727 -12.1727 -11.8733 -11.8733 -11.3650 -11.3650 -0.9877 -0.9877 1.9406 1.9406 2.4964 2.4964 3.5707 3.5707 9.9192 9.9192 10.6637 10.6637 13.6786 13.6786 14.1924 14.1924 14.5470 14.5470 k = 0.0455 0.4533 0.4578 ( 1356 PWs) bands (ev): -31.0014 -31.0014 -13.6935 -13.6935 -12.1763 -12.1763 -11.8750 -11.8750 -11.3752 -11.3752 -0.9817 -0.9817 1.9501 1.9501 2.4945 2.4945 3.5747 3.5747 9.8973 9.8973 10.6133 10.6133 13.7231 13.7231 14.2239 14.2239 14.5753 14.5753 k = 0.0511 0.4466 0.4666 ( 1356 PWs) bands (ev): -31.0010 -31.0010 -13.6839 -13.6839 -12.1805 -12.1805 -11.8769 -11.8769 -11.3867 -11.3867 -0.9751 -0.9751 1.9607 1.9607 2.4924 2.4924 3.5791 3.5791 9.8731 9.8731 10.5588 10.5588 13.7707 13.7707 14.2595 14.2595 14.6067 14.6067 k = 0.0568 0.4399 0.4755 ( 1358 PWs) bands (ev): -31.0006 -31.0006 -13.6733 -13.6733 -12.1851 -12.1851 -11.8791 -11.8791 -11.3994 -11.3994 -0.9678 -0.9678 1.9724 1.9724 2.4900 2.4900 3.5840 3.5840 9.8468 9.8468 10.5009 10.5009 13.8206 13.8206 14.2993 14.2993 14.6408 14.6408 k = 0.0625 0.4331 0.4843 ( 1356 PWs) bands (ev): -31.0002 -31.0002 -13.6616 -13.6616 -12.1901 -12.1901 -11.8815 -11.8815 -11.4131 -11.4131 -0.9598 -0.9598 1.9851 1.9851 2.4876 2.4876 3.5893 3.5893 9.8186 9.8186 10.4403 10.4403 13.8725 13.8725 14.3431 14.3431 14.6775 14.6775 k = 0.0682 0.4264 0.4931 ( 1354 PWs) bands (ev): -30.9997 -30.9997 -13.6489 -13.6489 -12.1956 -12.1956 -11.8841 -11.8841 -11.4280 -11.4280 -0.9513 -0.9513 1.9986 1.9986 2.4850 2.4850 3.5949 3.5949 9.7888 9.7888 10.3776 10.3776 13.9258 13.9258 14.3907 14.3907 14.7164 14.7164 k = 0.0739 0.4197 0.5019 ( 1354 PWs) bands (ev): -30.9992 -30.9992 -13.6351 -13.6351 -12.2015 -12.2015 -11.8869 -11.8869 -11.4438 -11.4438 -0.9422 -0.9422 2.0131 2.0131 2.4822 2.4822 3.6009 3.6009 9.7575 9.7575 10.3133 10.3133 13.9803 13.9803 14.4416 14.4416 14.7573 14.7573 k = 0.0795 0.4130 0.5107 ( 1356 PWs) bands (ev): -30.9987 -30.9987 -13.6203 -13.6203 -12.2079 -12.2079 -11.8900 -11.8900 -11.4606 -11.4606 -0.9325 -0.9325 2.0283 2.0283 2.4794 2.4794 3.6072 3.6072 9.7250 9.7250 10.2478 10.2478 14.0357 14.0357 14.4956 14.4956 14.8000 14.8000 k = 0.0852 0.4062 0.5195 ( 1358 PWs) bands (ev): -30.9981 -30.9981 -13.6045 -13.6045 -12.2146 -12.2146 -11.8934 -11.8934 -11.4782 -11.4782 -0.9224 -0.9224 2.0442 2.0442 2.4764 2.4764 3.6138 3.6138 9.6915 9.6915 10.1817 10.1817 14.0919 14.0919 14.5522 14.5522 14.8440 14.8440 k = 0.0909 0.3995 0.5283 ( 1356 PWs) bands (ev): -30.9975 -30.9975 -13.5878 -13.5878 -12.2217 -12.2217 -11.8971 -11.8971 -11.4965 -11.4965 -0.9119 -0.9119 2.0607 2.0607 2.4734 2.4734 3.6205 3.6205 9.6572 9.6572 10.1153 10.1153 14.1488 14.1488 14.6111 14.6111 14.8892 14.8892 k = 0.0966 0.3928 0.5371 ( 1356 PWs) bands (ev): -30.9969 -30.9969 -13.5701 -13.5701 -12.2292 -12.2292 -11.9012 -11.9012 -11.5154 -11.5154 -0.9010 -0.9010 2.0777 2.0777 2.4703 2.4703 3.6275 3.6275 9.6223 9.6223 10.0489 10.0489 14.2065 14.2065 14.6715 14.6716 14.9353 14.9353 k = 0.1023 0.3861 0.5459 ( 1360 PWs) bands (ev): -30.9963 -30.9963 -13.5515 -13.5515 -12.2370 -12.2370 -11.9058 -11.9058 -11.5347 -11.5347 -0.8898 -0.8898 2.0951 2.0951 2.4672 2.4672 3.6346 3.6346 9.5870 9.5870 9.9830 9.9830 14.2650 14.2650 14.7332 14.7332 14.9819 14.9819 k = 0.1080 0.3793 0.5547 ( 1360 PWs) bands (ev): -30.9957 -30.9957 -13.5321 -13.5321 -12.2452 -12.2452 -11.9108 -11.9108 -11.5544 -11.5544 -0.8783 -0.8783 2.1129 2.1129 2.4641 2.4641 3.6419 3.6419 9.5516 9.5516 9.9178 9.9178 14.3242 14.3242 14.7956 14.7956 15.0287 15.0287 k = 0.1136 0.3726 0.5635 ( 1356 PWs) bands (ev): -30.9951 -30.9951 -13.5118 -13.5118 -12.2535 -12.2535 -11.9165 -11.9165 -11.5742 -11.5742 -0.8666 -0.8666 2.1309 2.1309 2.4609 2.4609 3.6492 3.6492 9.5161 9.5161 9.8536 9.8536 14.3844 14.3844 14.8583 14.8583 15.0496 15.0496 k = 0.1193 0.3659 0.5723 ( 1356 PWs) bands (ev): -30.9944 -30.9944 -13.4907 -13.4907 -12.2622 -12.2622 -11.9228 -11.9228 -11.5939 -11.5939 -0.8547 -0.8547 2.1491 2.1491 2.4579 2.4579 3.6566 3.6566 9.4808 9.4808 9.7906 9.7906 14.4452 14.4452 14.9208 14.9208 15.0056 15.0056 k = 0.1250 0.3592 0.5811 ( 1360 PWs) bands (ev): -30.9938 -30.9938 -13.4688 -13.4688 -12.2711 -12.2711 -11.9301 -11.9301 -11.6134 -11.6134 -0.8428 -0.8428 2.1673 2.1673 2.4548 2.4548 3.6640 3.6640 9.4459 9.4459 9.7290 9.7290 14.5067 14.5067 14.9610 14.9610 14.9840 14.9840 k = 0.1307 0.3524 0.5899 ( 1358 PWs) bands (ev): -30.9931 -30.9931 -13.4463 -13.4463 -12.2802 -12.2802 -11.9382 -11.9382 -11.6324 -11.6324 -0.8308 -0.8308 2.1855 2.1855 2.4518 2.4518 3.6713 3.6713 9.4114 9.4114 9.6691 9.6691 14.5689 14.5689 14.9194 14.9194 15.0446 15.0446 k = 0.1364 0.3457 0.5987 ( 1360 PWs) bands (ev): -30.9925 -30.9925 -13.4230 -13.4230 -12.2895 -12.2895 -11.9474 -11.9474 -11.6507 -11.6507 -0.8189 -0.8189 2.2035 2.2035 2.4489 2.4489 3.6786 3.6786 9.3776 9.3776 9.6110 9.6110 14.6315 14.6315 14.8786 14.8786 15.1046 15.1046 k = 0.1420 0.3390 0.6075 ( 1360 PWs) bands (ev): -30.9919 -30.9919 -13.3992 -13.3992 -12.2990 -12.2990 -11.9578 -11.9578 -11.6680 -11.6680 -0.8070 -0.8070 2.2213 2.2213 2.4460 2.4460 3.6858 3.6858 9.3446 9.3446 9.5548 9.5548 14.6944 14.6944 14.8393 14.8393 15.1632 15.1632 k = 0.1477 0.3323 0.6163 ( 1358 PWs) bands (ev): -30.9912 -30.9912 -13.3749 -13.3749 -12.3086 -12.3086 -11.9695 -11.9695 -11.6843 -11.6843 -0.7953 -0.7953 2.2388 2.2388 2.4432 2.4432 3.6928 3.6928 9.3125 9.3125 9.5009 9.5009 14.7569 14.7569 14.8022 14.8022 15.2199 15.2199 k = 0.1534 0.3255 0.6251 ( 1360 PWs) bands (ev): -30.9906 -30.9906 -13.3501 -13.3501 -12.3184 -12.3184 -11.9825 -11.9825 -11.6992 -11.6992 -0.7838 -0.7838 2.2559 2.2559 2.4406 2.4406 3.6997 3.6997 9.2814 9.2814 9.4491 9.4491 14.7641 14.7641 14.8219 14.8219 15.2741 15.2741 k = 0.1591 0.3188 0.6339 ( 1364 PWs) bands (ev): -30.9900 -30.9900 -13.3249 -13.3249 -12.3284 -12.3284 -11.9967 -11.9967 -11.7128 -11.7128 -0.7726 -0.7726 2.2724 2.2724 2.4380 2.4380 3.7064 3.7064 9.2515 9.2515 9.3998 9.3998 14.7300 14.7300 14.8840 14.8840 15.3221 15.3222 k = 0.1648 0.3121 0.6427 ( 1364 PWs) bands (ev): -30.9895 -30.9895 -13.2994 -13.2994 -12.3386 -12.3386 -12.0120 -12.0120 -11.7249 -11.7249 -0.7617 -0.7617 2.2884 2.2884 2.4356 2.4356 3.7128 3.7128 9.2229 9.2229 9.3530 9.3530 14.6973 14.6973 14.9459 14.9459 15.3410 15.3410 k = 0.1705 0.3054 0.6515 ( 1362 PWs) bands (ev): -30.9889 -30.9889 -13.2738 -13.2738 -12.3488 -12.3488 -12.0283 -12.0283 -11.7355 -11.7355 -0.7511 -0.7511 2.3037 2.3037 2.4333 2.4333 3.7190 3.7190 9.1957 9.1957 9.3088 9.3088 14.6664 14.6664 15.0067 15.0067 15.3439 15.3439 k = 0.1761 0.2986 0.6604 ( 1360 PWs) bands (ev): -30.9884 -30.9884 -13.2481 -13.2481 -12.3593 -12.3593 -12.0453 -12.0453 -11.7448 -11.7448 -0.7411 -0.7411 2.3183 2.3183 2.4311 2.4311 3.7249 3.7249 9.1699 9.1699 9.2673 9.2673 14.6373 14.6373 15.0659 15.0659 15.3454 15.3454 k = 0.1818 0.2919 0.6692 ( 1360 PWs) bands (ev): -30.9879 -30.9879 -13.2225 -13.2225 -12.3700 -12.3700 -12.0627 -12.0627 -11.7528 -11.7528 -0.7315 -0.7315 2.3321 2.3321 2.4291 2.4291 3.7304 3.7304 9.1457 9.1457 9.2286 9.2286 14.6101 14.6101 15.1229 15.1229 15.3469 15.3469 k = 0.1875 0.2852 0.6780 ( 1360 PWs) bands (ev): -30.9874 -30.9874 -13.1972 -13.1972 -12.3809 -12.3809 -12.0801 -12.0801 -11.7596 -11.7596 -0.7225 -0.7225 2.3450 2.3450 2.4272 2.4272 3.7356 3.7356 9.1232 9.1232 9.1928 9.1928 14.5849 14.5849 15.1768 15.1768 15.3491 15.3491 k = 0.1932 0.2784 0.6868 ( 1360 PWs) bands (ev): -30.9870 -30.9870 -13.1723 -13.1723 -12.3920 -12.3920 -12.0973 -12.0973 -11.7655 -11.7655 -0.7140 -0.7140 2.3570 2.3570 2.4255 2.4255 3.7405 3.7405 9.1023 9.1023 9.1598 9.1598 14.5617 14.5617 15.2262 15.2262 15.3529 15.3529 k = 0.1989 0.2717 0.6956 ( 1358 PWs) bands (ev): -30.9866 -30.9866 -13.1481 -13.1481 -12.4032 -12.4032 -12.1137 -12.1137 -11.7704 -11.7704 -0.7063 -0.7063 2.3680 2.3680 2.4240 2.4240 3.7450 3.7450 9.0833 9.0833 9.1299 9.1299 14.5407 14.5407 15.2682 15.2682 15.3608 15.3608 k = 0.2045 0.2650 0.7044 ( 1358 PWs) bands (ev): -30.9862 -30.9862 -13.1249 -13.1249 -12.4144 -12.4144 -12.1293 -12.1293 -11.7745 -11.7745 -0.6992 -0.6992 2.3779 2.3779 2.4227 2.4227 3.7490 3.7490 9.0660 9.0660 9.1030 9.1030 14.5217 14.5217 15.2979 15.2979 15.3774 15.3774 k = 0.2102 0.2583 0.7132 ( 1360 PWs) bands (ev): -30.9859 -30.9859 -13.1029 -13.1029 -12.4256 -12.4256 -12.1436 -12.1436 -11.7779 -11.7779 -0.6928 -0.6928 2.3867 2.3867 2.4215 2.4215 3.7526 3.7526 9.0507 9.0507 9.0793 9.0793 14.5048 14.5048 15.3135 15.3135 15.4039 15.4039 k = 0.2159 0.2515 0.7220 ( 1360 PWs) bands (ev): -30.9856 -30.9856 -13.0825 -13.0825 -12.4364 -12.4364 -12.1563 -12.1563 -11.7807 -11.7807 -0.6873 -0.6873 2.3943 2.3943 2.4206 2.4206 3.7558 3.7558 9.0372 9.0372 9.0586 9.0586 14.4901 14.4901 15.3204 15.3204 15.4345 15.4345 k = 0.2216 0.2448 0.7308 ( 1364 PWs) bands (ev): -30.9853 -30.9853 -13.0641 -13.0641 -12.4466 -12.4466 -12.1674 -12.1674 -11.7830 -11.7830 -0.6825 -0.6825 2.4007 2.4007 2.4199 2.4199 3.7585 3.7585 9.0256 9.0256 9.0412 9.0412 14.4776 14.4776 15.3235 15.3235 15.4639 15.4639 k = 0.2273 0.2381 0.7396 ( 1370 PWs) bands (ev): -30.9851 -30.9851 -13.0482 -13.0482 -12.4558 -12.4558 -12.1766 -12.1766 -11.7849 -11.7849 -0.6785 -0.6785 2.4058 2.4058 2.4196 2.4196 3.7607 3.7607 9.0159 9.0159 9.0271 9.0271 14.4673 14.4673 15.3250 15.3250 15.4895 15.4895 k = 0.2330 0.2314 0.7484 ( 1372 PWs) bands (ev): -30.9850 -30.9850 -13.0352 -13.0352 -12.4636 -12.4636 -12.1838 -12.1838 -11.7862 -11.7862 -0.6754 -0.6754 2.4094 2.4094 2.4197 2.4197 3.7624 3.7624 9.0081 9.0081 9.0163 9.0163 14.4593 14.4593 15.3258 15.3258 15.5102 15.5102 k = 0.2386 0.2246 0.7572 ( 1374 PWs) bands (ev): -30.9849 -30.9849 -13.0255 -13.0255 -12.4695 -12.4695 -12.1890 -12.1890 -11.7872 -11.7872 -0.6732 -0.6732 2.4115 2.4115 2.4202 2.4202 3.7637 3.7637 9.0021 9.0021 9.0090 9.0090 14.4536 14.4536 15.3262 15.3262 15.5253 15.5253 k = 0.2443 0.2179 0.7660 ( 1372 PWs) bands (ev): -30.9848 -30.9848 -13.0196 -13.0196 -12.4732 -12.4732 -12.1921 -12.1921 -11.7877 -11.7877 -0.6719 -0.6719 2.4125 2.4125 2.4209 2.4209 3.7644 3.7644 8.9984 8.9984 9.0048 9.0048 14.4502 14.4502 15.3263 15.3263 15.5345 15.5345 k = 0.2500 0.2112 0.7748 ( 1368 PWs) bands (ev): -30.9848 -30.9848 -13.0175 -13.0175 -12.4745 -12.4745 -12.1931 -12.1931 -11.7879 -11.7879 -0.6714 -0.6714 2.4127 2.4127 2.4211 2.4211 3.7647 3.7647 8.9971 8.9971 9.0035 9.0035 14.4491 14.4491 15.3264 15.3264 15.5377 15.5377 k = 0.2500 0.2112 0.7748 ( 1368 PWs) bands (ev): -30.9848 -30.9848 -13.0175 -13.0175 -12.4745 -12.4745 -12.1931 -12.1931 -11.7879 -11.7879 -0.6714 -0.6714 2.4127 2.4127 2.4211 2.4211 3.7647 3.7647 8.9971 8.9971 9.0035 9.0035 14.4491 14.4491 15.3264 15.3264 15.5377 15.5377 k = 0.2571 0.2172 0.7669 ( 1372 PWs) bands (ev): -30.9848 -30.9848 -13.0182 -13.0182 -12.4740 -12.4740 -12.1928 -12.1928 -11.7880 -11.7880 -0.6709 -0.6709 2.4004 2.4004 2.4336 2.4336 3.7635 3.7635 8.9145 8.9145 9.0878 9.0878 14.4489 14.4489 15.3282 15.3282 15.5363 15.5363 k = 0.2643 0.2233 0.7590 ( 1372 PWs) bands (ev): -30.9848 -30.9848 -13.0201 -13.0201 -12.4727 -12.4727 -12.1914 -12.1914 -11.7885 -11.7885 -0.6695 -0.6695 2.3843 2.3843 2.4500 2.4500 3.7599 3.7599 8.8318 8.8318 9.1757 9.1757 14.4485 14.4485 15.3335 15.3335 15.5324 15.5324 k = 0.2714 0.2293 0.7511 ( 1372 PWs) bands (ev): -30.9849 -30.9849 -13.0232 -13.0232 -12.4705 -12.4705 -12.1892 -12.1892 -11.7892 -11.7892 -0.6671 -0.6671 2.3687 2.3687 2.4663 2.4663 3.7541 3.7541 8.7519 8.7519 9.2645 9.2645 14.4480 14.4480 15.3421 15.3421 15.5255 15.5256 k = 0.2786 0.2353 0.7432 ( 1368 PWs) bands (ev): -30.9849 -30.9849 -13.0274 -13.0274 -12.4677 -12.4677 -12.1859 -12.1859 -11.7902 -11.7902 -0.6638 -0.6638 2.3537 2.3537 2.4821 2.4821 3.7461 3.7461 8.6749 8.6749 9.3540 9.3540 14.4478 14.4478 15.3538 15.3538 15.5156 15.5156 k = 0.2857 0.2414 0.7353 ( 1368 PWs) bands (ev): -30.9850 -30.9850 -13.0327 -13.0327 -12.4643 -12.4643 -12.1817 -12.1817 -11.7914 -11.7914 -0.6598 -0.6598 2.3393 2.3393 2.4974 2.4974 3.7361 3.7361 8.6010 8.6010 9.4441 9.4441 14.4478 14.4478 15.3683 15.3683 15.5024 15.5024 k = 0.2929 0.2474 0.7274 ( 1362 PWs) bands (ev): -30.9851 -30.9851 -13.0389 -13.0389 -12.4605 -12.4605 -12.1765 -12.1765 -11.7930 -11.7930 -0.6550 -0.6550 2.3255 2.3255 2.5122 2.5122 3.7242 3.7242 8.5305 8.5305 9.5347 9.5347 14.4484 14.4484 15.3854 15.3854 15.4857 15.4857 k = 0.3000 0.2534 0.7195 ( 1364 PWs) bands (ev): -30.9852 -30.9852 -13.0460 -13.0460 -12.4564 -12.4564 -12.1704 -12.1704 -11.7948 -11.7948 -0.6495 -0.6495 2.3124 2.3124 2.5263 2.5263 3.7105 3.7105 8.4634 8.4634 9.6254 9.6254 14.4496 14.4496 15.4046 15.4046 15.4653 15.4653 k = 0.3071 0.2595 0.7116 ( 1366 PWs) bands (ev): -30.9853 -30.9853 -13.0537 -13.0537 -12.4522 -12.4522 -12.1633 -12.1633 -11.7969 -11.7969 -0.6434 -0.6434 2.2999 2.2999 2.5396 2.5396 3.6953 3.6953 8.3999 8.3999 9.7161 9.7161 14.4516 14.4516 15.4255 15.4255 15.4418 15.4418 k = 0.3143 0.2655 0.7037 ( 1363 PWs) bands (ev): -30.9854 -30.9854 -13.0621 -13.0621 -12.4479 -12.4479 -12.1552 -12.1552 -11.7991 -11.7991 -0.6368 -0.6368 2.2882 2.2882 2.5519 2.5519 3.6789 3.6789 8.3404 8.3404 9.8067 9.8067 14.4544 14.4544 15.4135 15.4135 15.4492 15.4492 k = 0.3214 0.2715 0.6958 ( 1361 PWs) bands (ev): -30.9855 -30.9855 -13.0711 -13.0711 -12.4436 -12.4436 -12.1463 -12.1463 -11.8015 -11.8015 -0.6298 -0.6298 2.2771 2.2771 2.5632 2.5632 3.6614 3.6614 8.2848 8.2848 9.8969 9.8969 14.4583 14.4583 15.3829 15.3829 15.4732 15.4732 k = 0.3286 0.2776 0.6879 ( 1361 PWs) bands (ev): -30.9857 -30.9857 -13.0805 -13.0805 -12.4395 -12.4395 -12.1365 -12.1365 -11.8040 -11.8040 -0.6225 -0.6225 2.2668 2.2668 2.5733 2.5733 3.6432 3.6432 8.2334 8.2334 9.9866 9.9866 14.4633 14.4633 15.3489 15.3489 15.4969 15.4969 k = 0.3357 0.2836 0.6800 ( 1359 PWs) bands (ev): -30.9858 -30.9858 -13.0902 -13.0902 -12.4354 -12.4354 -12.1260 -12.1260 -11.8067 -11.8067 -0.6149 -0.6149 2.2572 2.2572 2.5821 2.5821 3.6245 3.6245 8.1864 8.1864 10.0755 10.0755 14.4694 14.4694 15.3118 15.3118 15.4986 15.4986 k = 0.3429 0.2896 0.6721 ( 1359 PWs) bands (ev): -30.9860 -30.9860 -13.1002 -13.1002 -12.4316 -12.4316 -12.1148 -12.1148 -11.8094 -11.8094 -0.6072 -0.6072 2.2484 2.2484 2.5893 2.5893 3.6056 3.6056 8.1438 8.1438 10.1633 10.1633 14.4766 14.4766 15.2717 15.2717 15.4827 15.4827 k = 0.3500 0.2957 0.6642 ( 1361 PWs) bands (ev): -30.9862 -30.9862 -13.1105 -13.1105 -12.4279 -12.4279 -12.1032 -12.1032 -11.8121 -11.8121 -0.5994 -0.5994 2.2403 2.2403 2.5949 2.5949 3.5869 3.5869 8.1058 8.1058 10.2499 10.2499 14.4849 14.4849 15.2284 15.2284 15.4666 15.4666 k = 0.3571 0.3017 0.6563 ( 1359 PWs) bands (ev): -30.9863 -30.9863 -13.1209 -13.1209 -12.4244 -12.4244 -12.0912 -12.0912 -11.8147 -11.8147 -0.5917 -0.5917 2.2329 2.2329 2.5987 2.5987 3.5686 3.5686 8.0725 8.0725 10.3350 10.3350 14.4942 14.4942 15.1822 15.1822 15.4511 15.4511 k = 0.3643 0.3077 0.6484 ( 1353 PWs) bands (ev): -30.9865 -30.9865 -13.1314 -13.1314 -12.4211 -12.4211 -12.0788 -12.0788 -11.8170 -11.8170 -0.5842 -0.5842 2.2263 2.2263 2.6006 2.6006 3.5510 3.5510 8.0441 8.0441 10.4185 10.4185 14.5046 14.5047 15.1329 15.1329 15.4364 15.4364 k = 0.3714 0.3138 0.6405 ( 1349 PWs) bands (ev): -30.9867 -30.9867 -13.1420 -13.1420 -12.4179 -12.4179 -12.0665 -12.0665 -11.8191 -11.8191 -0.5770 -0.5770 2.2205 2.2205 2.6004 2.6004 3.5345 3.5345 8.0205 8.0205 10.4999 10.4999 14.5159 14.5159 15.0807 15.0807 15.4227 15.4227 k = 0.3786 0.3198 0.6326 ( 1349 PWs) bands (ev): -30.9869 -30.9869 -13.1526 -13.1526 -12.4150 -12.4150 -12.0543 -12.0543 -11.8208 -11.8208 -0.5702 -0.5702 2.2154 2.2154 2.5981 2.5981 3.5193 3.5193 8.0020 8.0020 10.5791 10.5791 14.5280 14.5280 15.0256 15.0256 15.4099 15.4100 k = 0.3857 0.3258 0.6247 ( 1346 PWs) bands (ev): -30.9871 -30.9871 -13.1632 -13.1632 -12.4121 -12.4121 -12.0425 -12.0425 -11.8219 -11.8219 -0.5639 -0.5639 2.2110 2.2110 2.5937 2.5937 3.5055 3.5055 7.9886 7.9886 10.6558 10.6558 14.5408 14.5408 14.9678 14.9678 15.3982 15.3982 k = 0.3929 0.3319 0.6168 ( 1346 PWs) bands (ev): -30.9873 -30.9873 -13.1738 -13.1738 -12.4094 -12.4094 -12.0312 -12.0312 -11.8223 -11.8223 -0.5583 -0.5583 2.2075 2.2075 2.5872 2.5872 3.4934 3.4934 7.9802 7.9802 10.7297 10.7297 14.5540 14.5541 14.9074 14.9074 15.3875 15.3875 k = 0.4000 0.3379 0.6089 ( 1348 PWs) bands (ev): -30.9875 -30.9875 -13.1843 -13.1843 -12.4068 -12.4068 -12.0207 -12.0207 -11.8217 -11.8217 -0.5534 -0.5534 2.2047 2.2047 2.5786 2.5786 3.4831 3.4831 7.9771 7.9771 10.8006 10.8006 14.5677 14.5677 14.8446 14.8446 15.3778 15.3778 k = 0.4071 0.3439 0.6010 ( 1351 PWs) bands (ev): -30.9878 -30.9878 -13.1947 -13.1947 -12.4043 -12.4043 -12.0113 -12.0113 -11.8201 -11.8201 -0.5494 -0.5494 2.2026 2.2026 2.5682 2.5682 3.4747 3.4747 7.9792 7.9792 10.8682 10.8682 14.5816 14.5816 14.7795 14.7795 15.3692 15.3692 k = 0.4143 0.3500 0.5931 ( 1350 PWs) bands (ev): -30.9880 -30.9880 -13.2050 -13.2050 -12.4018 -12.4018 -12.0029 -12.0029 -11.8172 -11.8172 -0.5463 -0.5463 2.2014 2.2014 2.5560 2.5560 3.4681 3.4681 7.9866 7.9866 10.9324 10.9324 14.5954 14.5954 14.7125 14.7125 15.3616 15.3616 k = 0.4214 0.3560 0.5852 ( 1350 PWs) bands (ev): -30.9882 -30.9882 -13.2152 -13.2152 -12.3993 -12.3993 -11.9960 -11.9960 -11.8130 -11.8130 -0.5444 -0.5444 2.2009 2.2009 2.5422 2.5422 3.4634 3.4634 7.9992 7.9992 10.9928 10.9928 14.6084 14.6084 14.6443 14.6443 15.3549 15.3549 k = 0.4286 0.3620 0.5773 ( 1350 PWs) bands (ev): -30.9885 -30.9885 -13.2252 -13.2252 -12.3968 -12.3968 -11.9904 -11.9904 -11.8075 -11.8075 -0.5436 -0.5436 2.2011 2.2011 2.5273 2.5273 3.4606 3.4606 8.0170 8.0170 11.0493 11.0493 14.5718 14.5718 14.6240 14.6240 15.3490 15.3490 k = 0.4357 0.3681 0.5694 ( 1350 PWs) bands (ev): -30.9887 -30.9887 -13.2351 -13.2351 -12.3944 -12.3944 -11.9861 -11.9861 -11.8005 -11.8005 -0.5441 -0.5441 2.2022 2.2022 2.5113 2.5113 3.4595 3.4595 8.0400 8.0400 11.1016 11.1016 14.5004 14.5004 14.6366 14.6366 15.3439 15.3439 k = 0.4429 0.3741 0.5616 ( 1350 PWs) bands (ev): -30.9890 -30.9890 -13.2449 -13.2449 -12.3919 -12.3919 -11.9832 -11.9832 -11.7924 -11.7924 -0.5459 -0.5459 2.2039 2.2039 2.4946 2.4946 3.4600 3.4600 8.0681 8.0681 11.1495 11.1495 14.4275 14.4275 14.6489 14.6489 15.3394 15.3394 k = 0.4500 0.3801 0.5537 ( 1352 PWs) bands (ev): -30.9892 -30.9892 -13.2544 -13.2544 -12.3894 -12.3894 -11.9814 -11.9814 -11.7833 -11.7833 -0.5492 -0.5492 2.2065 2.2065 2.4774 2.4774 3.4621 3.4621 8.1013 8.1013 11.1929 11.1929 14.3537 14.3537 14.6604 14.6604 15.3354 15.3354 k = 0.4571 0.3862 0.5458 ( 1354 PWs) bands (ev): -30.9895 -30.9895 -13.2638 -13.2638 -12.3869 -12.3869 -11.9805 -11.9805 -11.7734 -11.7734 -0.5538 -0.5538 2.2098 2.2098 2.4600 2.4600 3.4656 3.4656 8.1395 8.1395 11.2317 11.2317 14.2792 14.2792 14.6709 14.6710 15.3319 15.3319 k = 0.4643 0.3922 0.5379 ( 1354 PWs) bands (ev): -30.9898 -30.9898 -13.2730 -13.2730 -12.3844 -12.3844 -11.9803 -11.9803 -11.7628 -11.7628 -0.5600 -0.5600 2.2138 2.2138 2.4427 2.4427 3.4705 3.4705 8.1826 8.1826 11.2657 11.2657 14.2043 14.2043 14.6805 14.6805 15.3286 15.3286 k = 0.4714 0.3982 0.5300 ( 1356 PWs) bands (ev): -30.9901 -30.9901 -13.2820 -13.2820 -12.3818 -12.3818 -11.9807 -11.9807 -11.7518 -11.7518 -0.5676 -0.5676 2.2186 2.2186 2.4257 2.4257 3.4766 3.4766 8.2305 8.2305 11.2948 11.2948 14.1291 14.1291 14.6887 14.6887 15.3254 15.3254 k = 0.4786 0.4043 0.5221 ( 1358 PWs) bands (ev): -30.9904 -30.9904 -13.2907 -13.2907 -12.3791 -12.3791 -11.9815 -11.9815 -11.7406 -11.7406 -0.5767 -0.5767 2.2241 2.2241 2.4091 2.4091 3.4839 3.4839 8.2830 8.2830 11.3190 11.3190 14.0540 14.0540 14.6956 14.6956 15.3224 15.3224 k = 0.4857 0.4103 0.5142 ( 1358 PWs) bands (ev): -30.9907 -30.9907 -13.2993 -13.2993 -12.3764 -12.3764 -11.9826 -11.9826 -11.7292 -11.7292 -0.5873 -0.5873 2.2303 2.2303 2.3931 2.3931 3.4923 3.4923 8.3400 8.3400 11.3382 11.3382 13.9791 13.9791 14.7010 14.7010 15.3193 15.3193 k = 0.4929 0.4163 0.5063 ( 1362 PWs) bands (ev): -30.9911 -30.9911 -13.3076 -13.3076 -12.3736 -12.3736 -11.9838 -11.9838 -11.7179 -11.7179 -0.5993 -0.5993 2.2372 2.2372 2.3780 2.3780 3.5017 3.5017 8.4013 8.4013 11.3525 11.3525 13.9045 13.9045 14.7049 14.7049 15.3160 15.3160 k = 0.5000 0.4224 0.4984 ( 1360 PWs) bands (ev): -30.9914 -30.9914 -13.3156 -13.3156 -12.3708 -12.3708 -11.9851 -11.9851 -11.7067 -11.7067 -0.6127 -0.6127 2.2449 2.2449 2.3637 2.3637 3.5121 3.5121 8.4668 8.4668 11.3618 11.3618 13.8304 13.8304 14.7072 14.7072 15.3126 15.3126 k = 0.5000 0.4224 0.4984 ( 1360 PWs) bands (ev): -30.9914 -30.9914 -13.3156 -13.3156 -12.3708 -12.3708 -11.9851 -11.9851 -11.7067 -11.7067 -0.6127 -0.6127 2.2449 2.2449 2.3637 2.3637 3.5121 3.5121 8.4668 8.4668 11.3618 11.3618 13.8304 13.8304 14.7072 14.7072 15.3126 15.3126 k = 0.5000 0.4224 0.4859 ( 1356 PWs) bands (ev): -30.9919 -30.9919 -13.3275 -13.3275 -12.3663 -12.3663 -11.9872 -11.9872 -11.6898 -11.6898 -0.6349 -0.6349 2.2578 2.2578 2.3429 2.3429 3.5292 3.5292 8.5746 8.5746 11.3728 11.3728 13.7136 13.7136 14.7078 14.7078 15.3073 15.3073 k = 0.5000 0.4224 0.4734 ( 1360 PWs) bands (ev): -30.9925 -30.9925 -13.3379 -13.3379 -12.3619 -12.3619 -11.9897 -11.9897 -11.6744 -11.6744 -0.6570 -0.6570 2.2712 2.2712 2.3243 2.3243 3.5463 3.5463 8.6849 8.6849 11.3840 11.3840 13.5957 13.5957 14.7049 14.7049 15.3020 15.3020 k = 0.5000 0.4224 0.4610 ( 1364 PWs) bands (ev): -30.9931 -30.9931 -13.3468 -13.3468 -12.3577 -12.3577 -11.9923 -11.9923 -11.6604 -11.6604 -0.6790 -0.6790 2.2850 2.2850 2.3081 2.3081 3.5635 3.5635 8.7974 8.7974 11.3953 11.3953 13.4771 13.4771 14.6990 14.6990 15.2968 15.2968 k = 0.5000 0.4224 0.4485 ( 1362 PWs) bands (ev): -30.9937 -30.9937 -13.3543 -13.3543 -12.3535 -12.3535 -11.9951 -11.9951 -11.6481 -11.6481 -0.7007 -0.7007 2.2926 2.2926 2.3010 2.3010 3.5807 3.5807 8.9120 8.9120 11.4067 11.4067 13.3581 13.3581 14.6902 14.6902 15.2918 15.2918 k = 0.5000 0.4224 0.4361 ( 1364 PWs) bands (ev): -30.9943 -30.9943 -13.3603 -13.3603 -12.3495 -12.3495 -11.9980 -11.9980 -11.6376 -11.6376 -0.7223 -0.7223 2.2818 2.2818 2.3152 2.3152 3.5979 3.5979 9.0283 9.0283 11.4182 11.4182 13.2388 13.2388 14.6788 14.6788 15.2645 15.2645 k = 0.5000 0.4224 0.4236 ( 1360 PWs) bands (ev): -30.9950 -30.9950 -13.3648 -13.3648 -12.3457 -12.3457 -12.0009 -12.0009 -11.6288 -11.6288 -0.7435 -0.7435 2.2729 2.2729 2.3307 2.3307 3.6151 3.6151 9.1461 9.1461 11.4298 11.4298 13.1195 13.1195 14.6652 14.6652 15.2062 15.2062 k = 0.5000 0.4224 0.4111 ( 1352 PWs) bands (ev): -30.9956 -30.9956 -13.3677 -13.3677 -12.3420 -12.3420 -12.0038 -12.0038 -11.6219 -11.6219 -0.7643 -0.7643 2.2665 2.2665 2.3468 2.3468 3.6323 3.6323 9.2650 9.2650 11.4413 11.4413 13.0004 13.0004 14.6495 14.6495 15.1495 15.1495 k = 0.5000 0.4224 0.3987 ( 1356 PWs) bands (ev): -30.9962 -30.9962 -13.3692 -13.3692 -12.3385 -12.3385 -12.0067 -12.0067 -11.6170 -11.6170 -0.7847 -0.7847 2.2628 2.2628 2.3633 2.3633 3.6494 3.6494 9.3848 9.3848 11.4529 11.4529 12.8817 12.8817 14.6320 14.6320 15.0945 15.0945 k = 0.5000 0.4224 0.3862 ( 1356 PWs) bands (ev): -30.9969 -30.9969 -13.3691 -13.3691 -12.3352 -12.3352 -12.0095 -12.0095 -11.6141 -11.6141 -0.8047 -0.8047 2.2617 2.2617 2.3802 2.3802 3.6664 3.6664 9.5051 9.5051 11.4643 11.4643 12.7637 12.7637 14.6130 14.6130 15.0418 15.0418 k = 0.5000 0.4224 0.3738 ( 1356 PWs) bands (ev): -30.9975 -30.9975 -13.3675 -13.3675 -12.3321 -12.3321 -12.0123 -12.0123 -11.6131 -11.6131 -0.8242 -0.8242 2.2633 2.2633 2.3976 2.3976 3.6833 3.6833 9.6257 9.6257 11.4757 11.4757 12.6466 12.6466 14.5927 14.5927 14.9917 14.9917 k = 0.5000 0.4224 0.3613 ( 1358 PWs) bands (ev): -30.9981 -30.9981 -13.3644 -13.3644 -12.3293 -12.3293 -12.0150 -12.0150 -11.6142 -11.6142 -0.8432 -0.8432 2.2675 2.2675 2.4153 2.4153 3.7001 3.7001 9.7460 9.7460 11.4869 11.4869 12.5306 12.5306 14.5713 14.5713 14.9443 14.9443 k = 0.5000 0.4224 0.3489 ( 1362 PWs) bands (ev): -30.9988 -30.9988 -13.3598 -13.3598 -12.3267 -12.3267 -12.0175 -12.0175 -11.6173 -11.6173 -0.8616 -0.8616 2.2744 2.2744 2.4334 2.4334 3.7167 3.7167 9.8659 9.8659 11.4980 11.4980 12.4157 12.4157 14.5490 14.5490 14.9000 14.9000 k = 0.5000 0.4224 0.3364 ( 1364 PWs) bands (ev): -30.9995 -30.9995 -13.3537 -13.3537 -12.3245 -12.3245 -12.0200 -12.0200 -11.6222 -11.6222 -0.8794 -0.8794 2.2838 2.2838 2.4517 2.4517 3.7331 3.7331 9.9848 9.9848 11.5089 11.5089 12.3026 12.3026 14.5260 14.5260 14.8593 14.8593 k = 0.5000 0.4224 0.3239 ( 1364 PWs) bands (ev): -31.0001 -31.0001 -13.3462 -13.3462 -12.3225 -12.3225 -12.0222 -12.0222 -11.6291 -11.6291 -0.8967 -0.8967 2.2957 2.2957 2.4703 2.4703 3.7493 3.7493 10.1024 10.1024 11.5196 11.5196 12.1913 12.1913 14.5023 14.5023 14.8224 14.8224 k = 0.5000 0.4224 0.3115 ( 1368 PWs) bands (ev): -31.0007 -31.0007 -13.3371 -13.3371 -12.3209 -12.3209 -12.0243 -12.0243 -11.6379 -11.6379 -0.9133 -0.9133 2.3099 2.3099 2.4891 2.4891 3.7652 3.7652 10.2183 10.2183 11.5300 11.5300 12.0819 12.0819 14.4782 14.4782 14.7895 14.7895 k = 0.5000 0.4224 0.2990 ( 1368 PWs) bands (ev): -31.0014 -31.0014 -13.3267 -13.3267 -12.3195 -12.3195 -12.0262 -12.0262 -11.6484 -11.6484 -0.9293 -0.9293 2.3264 2.3264 2.5080 2.5080 3.7808 3.7808 10.3320 10.3320 11.5402 11.5402 11.9748 11.9748 14.4537 14.4537 14.7612 14.7612 k = 0.5000 0.4224 0.2866 ( 1376 PWs) bands (ev): -31.0020 -31.0020 -13.3150 -13.3150 -12.3186 -12.3186 -12.0280 -12.0280 -11.6607 -11.6607 -0.9446 -0.9446 2.3450 2.3450 2.5270 2.5270 3.7961 3.7961 10.4430 10.4430 11.5500 11.5500 11.8699 11.8699 14.4288 14.4288 14.7375 14.7375 k = 0.5000 0.4224 0.2741 ( 1376 PWs) bands (ev): -31.0026 -31.0026 -13.3019 -13.3019 -12.3180 -12.3180 -12.0295 -12.0295 -11.6745 -11.6745 -0.9593 -0.9593 2.3655 2.3655 2.5460 2.5460 3.8111 3.8111 10.5510 10.5510 11.5596 11.5596 11.7678 11.7678 14.4037 14.4037 14.7189 14.7189 k = 0.5000 0.4224 0.2616 ( 1380 PWs) bands (ev): -31.0032 -31.0032 -13.2875 -13.2875 -12.3178 -12.3178 -12.0309 -12.0309 -11.6899 -11.6899 -0.9733 -0.9733 2.3877 2.3877 2.5650 2.5650 3.8257 3.8257 10.6554 10.6554 11.5689 11.5689 11.6683 11.6683 14.3783 14.3783 14.7056 14.7056 k = 0.5000 0.4224 0.2492 ( 1380 PWs) bands (ev): -31.0038 -31.0038 -13.2719 -13.2719 -12.3180 -12.3180 -12.0320 -12.0320 -11.7066 -11.7066 -0.9867 -0.9867 2.4115 2.4115 2.5838 2.5838 3.8398 3.8398 10.7559 10.7559 11.5719 11.5719 11.5779 11.5779 14.3526 14.3526 14.6980 14.6980 k = 0.5000 0.4224 0.2367 ( 1380 PWs) bands (ev): -31.0044 -31.0044 -13.2552 -13.2552 -12.3186 -12.3186 -12.0330 -12.0330 -11.7246 -11.7246 -0.9993 -0.9993 2.4366 2.4366 2.6025 2.6025 3.8535 3.8535 10.8519 10.8519 11.4788 11.4788 11.5864 11.5864 14.3266 14.3266 14.6961 14.6961 k = 0.5000 0.4224 0.2243 ( 1376 PWs) bands (ev): -31.0049 -31.0049 -13.2374 -13.2374 -12.3196 -12.3196 -12.0337 -12.0337 -11.7436 -11.7436 -1.0113 -1.0113 2.4627 2.4627 2.6209 2.6209 3.8668 3.8668 10.9431 10.9431 11.3891 11.3891 11.5946 11.5946 14.3002 14.3002 14.7002 14.7002 k = 0.5000 0.4224 0.2118 ( 1378 PWs) bands (ev): -31.0055 -31.0055 -13.2186 -13.2186 -12.3212 -12.3212 -12.0344 -12.0344 -11.7637 -11.7637 -1.0226 -1.0226 2.4896 2.4896 2.6390 2.6390 3.8795 3.8795 11.0291 11.0291 11.3029 11.3029 11.6024 11.6024 14.2731 14.2731 14.7102 14.7102 k = 0.5000 0.4224 0.1993 ( 1378 PWs) bands (ev): -31.0060 -31.0060 -13.1990 -13.1990 -12.3231 -12.3231 -12.0348 -12.0348 -11.7844 -11.7844 -1.0333 -1.0333 2.5171 2.5171 2.6567 2.6567 3.8917 3.8917 11.1096 11.1096 11.2206 11.2206 11.6099 11.6099 14.2454 14.2454 14.7262 14.7262 k = 0.5000 0.4224 0.1869 ( 1378 PWs) bands (ev): -31.0065 -31.0065 -13.1786 -13.1786 -12.3256 -12.3256 -12.0352 -12.0352 -11.8057 -11.8057 -1.0432 -1.0432 2.5449 2.5449 2.6739 2.6739 3.9033 3.9033 11.1421 11.1421 11.1844 11.1844 11.6169 11.6169 14.2167 14.2167 14.7481 14.7481 k = 0.5000 0.4224 0.1744 ( 1378 PWs) bands (ev): -31.0069 -31.0069 -13.1575 -13.1575 -12.3286 -12.3286 -12.0354 -12.0354 -11.8273 -11.8273 -1.0525 -1.0525 2.5727 2.5727 2.6905 2.6905 3.9143 3.9143 11.0678 11.0678 11.2534 11.2534 11.6235 11.6235 14.1869 14.1869 14.7754 14.7754 k = 0.5000 0.4224 0.1620 ( 1374 PWs) bands (ev): -31.0074 -31.0074 -13.1360 -13.1360 -12.3321 -12.3321 -12.0356 -12.0356 -11.8489 -11.8489 -1.0611 -1.0611 2.6002 2.6002 2.7065 2.7065 3.9247 3.9247 10.9979 10.9979 11.3164 11.3164 11.6296 11.6296 14.1556 14.1556 14.7821 14.7821 k = 0.5000 0.4224 0.1495 ( 1374 PWs) bands (ev): -31.0078 -31.0078 -13.1141 -13.1141 -12.3362 -12.3362 -12.0357 -12.0357 -11.8703 -11.8703 -1.0691 -1.0691 2.6270 2.6270 2.7217 2.7217 3.9344 3.9344 10.9323 10.9323 11.3735 11.3735 11.6354 11.6354 14.1228 14.1228 14.7113 14.7113 k = 0.5000 0.4224 0.1370 ( 1378 PWs) bands (ev): -31.0082 -31.0082 -13.0921 -13.0921 -12.3408 -12.3408 -12.0357 -12.0357 -11.8914 -11.8914 -1.0764 -1.0764 2.6530 2.6530 2.7361 2.7361 3.9434 3.9434 10.8714 10.8714 11.4246 11.4246 11.6406 11.6406 14.0885 14.0885 14.6471 14.6471 k = 0.5000 0.4224 0.1246 ( 1378 PWs) bands (ev): -31.0085 -31.0085 -13.0701 -13.0701 -12.3460 -12.3460 -12.0357 -12.0357 -11.9116 -11.9116 -1.0830 -1.0830 2.6778 2.6778 2.7497 2.7497 3.9517 3.9517 10.8152 10.8152 11.4701 11.4701 11.6455 11.6455 14.0530 14.0530 14.5908 14.5908 k = 0.5000 0.4224 0.1121 ( 1382 PWs) bands (ev): -31.0089 -31.0089 -13.0485 -13.0485 -12.3518 -12.3518 -12.0358 -12.0358 -11.9308 -11.9308 -1.0890 -1.0890 2.7011 2.7011 2.7623 2.7623 3.9593 3.9593 10.7639 10.7639 11.5101 11.5101 11.6500 11.6500 14.0167 14.0167 14.5422 14.5422 k = 0.5000 0.4224 0.0997 ( 1378 PWs) bands (ev): -31.0091 -31.0091 -13.0276 -13.0276 -12.3579 -12.3579 -12.0359 -12.0359 -11.9486 -11.9486 -1.0944 -1.0944 2.7227 2.7227 2.7740 2.7740 3.9662 3.9662 10.7177 10.7177 11.5449 11.5449 11.6540 11.6540 13.9807 13.9807 14.5012 14.5012 k = 0.5000 0.4224 0.0872 ( 1378 PWs) bands (ev): -31.0094 -31.0094 -13.0076 -13.0076 -12.3644 -12.3644 -12.0361 -12.0361 -11.9648 -11.9648 -1.0991 -1.0991 2.7422 2.7422 2.7846 2.7846 3.9722 3.9722 10.6766 10.6766 11.5745 11.5745 11.6576 11.6576 13.9457 13.9457 14.4670 14.4670 k = 0.5000 0.4224 0.0748 ( 1382 PWs) bands (ev): -31.0096 -31.0096 -12.9889 -12.9889 -12.3710 -12.3710 -12.0365 -12.0365 -11.9791 -11.9791 -1.1032 -1.1032 2.7593 2.7593 2.7943 2.7943 3.9776 3.9776 10.6407 10.6407 11.5994 11.5994 11.6609 11.6609 13.9130 13.9130 14.4391 14.4391 k = 0.5000 0.4224 0.0623 ( 1386 PWs) bands (ev): -31.0098 -31.0098 -12.9720 -12.9720 -12.3775 -12.3775 -12.0371 -12.0371 -11.9912 -11.9912 -1.1066 -1.1066 2.7737 2.7737 2.8029 2.8029 3.9821 3.9821 10.6102 10.6102 11.6198 11.6198 11.6638 11.6638 13.8835 13.8835 14.4166 14.4166 k = 0.5000 0.4224 0.0498 ( 1382 PWs) bands (ev): -31.0100 -31.0100 -12.9573 -12.9573 -12.3835 -12.3835 -12.0380 -12.0380 -12.0008 -12.0008 -1.1094 -1.1094 2.7854 2.7854 2.8105 2.8105 3.9858 3.9858 10.5851 10.5851 11.6357 11.6357 11.6666 11.6666 13.8581 13.8581 14.3992 14.3992 k = 0.5000 0.4224 0.0374 ( 1378 PWs) bands (ev): -31.0101 -31.0101 -12.9452 -12.9452 -12.3886 -12.3886 -12.0392 -12.0392 -12.0078 -12.0078 -1.1116 -1.1116 2.7942 2.7942 2.8169 2.8169 3.9887 3.9887 10.5656 10.5656 11.6473 11.6473 11.6694 11.6694 13.8376 13.8376 14.3861 14.3861 k = 0.5000 0.4224 0.0249 ( 1380 PWs) bands (ev): -31.0102 -31.0102 -12.9362 -12.9362 -12.3927 -12.3927 -12.0405 -12.0405 -12.0125 -12.0125 -1.1131 -1.1131 2.8002 2.8002 2.8218 2.8218 3.9908 3.9908 10.5515 10.5515 11.6546 11.6546 11.6721 11.6721 13.8225 13.8225 14.3770 14.3770 k = 0.5000 0.4224 0.0125 ( 1382 PWs) bands (ev): -31.0103 -31.0103 -12.9307 -12.9307 -12.3953 -12.3953 -12.0416 -12.0416 -12.0151 -12.0151 -1.1141 -1.1141 2.8037 2.8037 2.8249 2.8249 3.9920 3.9920 10.5431 10.5431 11.6584 11.6584 11.6744 11.6744 13.8133 13.8133 14.3716 14.3716 k = 0.5000 0.4224 0.0000 ( 1364 PWs) bands (ev): -31.0103 -31.0103 -12.9288 -12.9288 -12.3961 -12.3961 -12.0419 -12.0419 -12.0158 -12.0158 -1.1144 -1.1144 2.8048 2.8048 2.8260 2.8260 3.9925 3.9925 10.5404 10.5404 11.6597 11.6597 11.6754 11.6754 13.8103 13.8103 14.3699 14.3699 k = 0.0000 0.0000 0.7748 ( 1338 PWs) bands (ev): -30.9848 -30.9848 -12.9237 -12.9237 -12.4985 -12.4985 -12.1858 -12.1858 -11.8985 -11.8985 -0.2896 -0.2896 2.1051 2.1051 2.9226 2.9226 3.1841 3.1841 7.1491 7.1491 11.2211 11.2211 14.2774 14.2774 15.3960 15.3960 15.5371 15.5371 k = 0.0093 0.0078 0.7748 ( 1338 PWs) bands (ev): -30.9848 -30.9848 -12.9240 -12.9240 -12.4984 -12.4984 -12.1859 -12.1859 -11.8981 -11.8981 -0.2911 -0.2911 2.1055 2.1055 2.9214 2.9214 3.1863 3.1863 7.1523 7.1523 11.2165 11.2165 14.2777 14.2777 15.3955 15.3955 15.5371 15.5371 k = 0.0185 0.0156 0.7748 ( 1344 PWs) bands (ev): -30.9848 -30.9848 -12.9251 -12.9251 -12.4982 -12.4982 -12.1859 -12.1859 -11.8970 -11.8970 -0.2954 -0.2954 2.1068 2.1068 2.9180 2.9180 3.1925 3.1925 7.1618 7.1618 11.2027 11.2027 14.2788 14.2788 15.3941 15.3941 15.5371 15.5371 k = 0.0278 0.0235 0.7748 ( 1346 PWs) bands (ev): -30.9848 -30.9848 -12.9269 -12.9269 -12.4977 -12.4977 -12.1860 -12.1860 -11.8950 -11.8950 -0.3026 -0.3026 2.1089 2.1089 2.9122 2.9122 3.2029 3.2029 7.1776 7.1776 11.1798 11.1798 14.2805 14.2805 15.3920 15.3920 15.5371 15.5371 k = 0.0370 0.0313 0.7748 ( 1350 PWs) bands (ev): -30.9848 -30.9848 -12.9293 -12.9293 -12.4970 -12.4970 -12.1862 -12.1862 -11.8924 -11.8924 -0.3125 -0.3125 2.1119 2.1119 2.9043 2.9043 3.2171 3.2171 7.1996 7.1996 11.1481 11.1481 14.2829 14.2829 15.3894 15.3894 15.5371 15.5371 k = 0.0463 0.0391 0.7748 ( 1354 PWs) bands (ev): -30.9848 -30.9848 -12.9324 -12.9324 -12.4962 -12.4962 -12.1864 -12.1864 -11.8891 -11.8891 -0.3249 -0.3249 2.1158 2.1158 2.8942 2.8942 3.2350 3.2350 7.2278 7.2278 11.1079 11.1079 14.2860 14.2860 15.3870 15.3870 15.5371 15.5371 k = 0.0556 0.0469 0.7748 ( 1354 PWs) bands (ev): -30.9848 -30.9848 -12.9360 -12.9360 -12.4952 -12.4952 -12.1866 -12.1866 -11.8851 -11.8851 -0.3395 -0.3395 2.1206 2.1206 2.8822 2.8822 3.2563 3.2563 7.2619 7.2619 11.0595 11.0595 14.2898 14.2898 15.3850 15.3850 15.5371 15.5371 k = 0.0648 0.0548 0.7748 ( 1354 PWs) bands (ev): -30.9848 -30.9848 -12.9401 -12.9401 -12.4941 -12.4941 -12.1868 -12.1868 -11.8806 -11.8806 -0.3562 -0.3562 2.1262 2.1262 2.8682 2.8682 3.2806 3.2806 7.3018 7.3018 11.0033 11.0033 14.2943 14.2943 15.3839 15.3839 15.5371 15.5371 k = 0.0741 0.0626 0.7748 ( 1358 PWs) bands (ev): -30.9848 -30.9848 -12.9447 -12.9447 -12.4929 -12.4929 -12.1871 -12.1871 -11.8755 -11.8755 -0.3745 -0.3745 2.1327 2.1327 2.8525 2.8525 3.3075 3.3075 7.3474 7.3474 10.9398 10.9398 14.2995 14.2995 15.3841 15.3841 15.5372 15.5372 k = 0.0833 0.0704 0.7748 ( 1360 PWs) bands (ev): -30.9848 -30.9848 -12.9495 -12.9495 -12.4916 -12.4916 -12.1874 -12.1874 -11.8700 -11.8700 -0.3943 -0.3943 2.1400 2.1400 2.8352 2.8352 3.3367 3.3367 7.3985 7.3985 10.8695 10.8695 14.3054 14.3054 15.3857 15.3857 15.5372 15.5372 k = 0.0926 0.0782 0.7748 ( 1360 PWs) bands (ev): -30.9848 -30.9848 -12.9547 -12.9547 -12.4902 -12.4902 -12.1877 -12.1877 -11.8641 -11.8641 -0.4151 -0.4151 2.1482 2.1482 2.8165 2.8165 3.3676 3.3676 7.4548 7.4548 10.7929 10.7929 14.3119 14.3119 15.3894 15.3894 15.5372 15.5373 k = 0.1019 0.0860 0.7748 ( 1356 PWs) bands (ev): -30.9848 -30.9848 -12.9600 -12.9600 -12.4888 -12.4888 -12.1881 -12.1881 -11.8579 -11.8579 -0.4367 -0.4367 2.1573 2.1573 2.7965 2.7965 3.3999 3.3999 7.5162 7.5162 10.7105 10.7105 14.3192 14.3192 15.3953 15.3953 15.5373 15.5373 k = 0.1111 0.0939 0.7748 ( 1356 PWs) bands (ev): -30.9848 -30.9848 -12.9654 -12.9654 -12.4874 -12.4874 -12.1885 -12.1885 -11.8516 -11.8516 -0.4588 -0.4588 2.1673 2.1673 2.7754 2.7754 3.4331 3.4331 7.5824 7.5824 10.6228 10.6228 14.3271 14.3271 15.4033 15.4033 15.5374 15.5374 k = 0.1204 0.1017 0.7748 ( 1356 PWs) bands (ev): -30.9848 -30.9848 -12.9709 -12.9709 -12.4860 -12.4860 -12.1889 -12.1889 -11.8452 -11.8452 -0.4810 -0.4810 2.1781 2.1781 2.7533 2.7533 3.4667 3.4667 7.6533 7.6533 10.5305 10.5305 14.3356 14.3356 15.4137 15.4137 15.5374 15.5374 k = 0.1296 0.1095 0.7748 ( 1356 PWs) bands (ev): -30.9848 -30.9848 -12.9763 -12.9763 -12.4846 -12.4846 -12.1893 -12.1893 -11.8387 -11.8387 -0.5031 -0.5031 2.1898 2.1898 2.7304 2.7304 3.5003 3.5003 7.7285 7.7285 10.4339 10.4339 14.3446 14.3446 15.4264 15.4264 15.5375 15.5375 k = 0.1389 0.1173 0.7748 ( 1356 PWs) bands (ev): -30.9848 -30.9848 -12.9816 -12.9816 -12.4833 -12.4833 -12.1897 -12.1897 -11.8323 -11.8323 -0.5247 -0.5247 2.2023 2.2023 2.7068 2.7068 3.5335 3.5335 7.8079 7.8079 10.3336 10.3336 14.3542 14.3542 15.4414 15.4414 15.5376 15.5376 k = 0.1481 0.1251 0.7748 ( 1356 PWs) bands (ev): -30.9848 -30.9848 -12.9867 -12.9867 -12.4820 -12.4820 -12.1902 -12.1902 -11.8261 -11.8261 -0.5455 -0.5455 2.2157 2.2157 2.6828 2.6828 3.5657 3.5657 7.8912 7.8912 10.2301 10.2301 14.3642 14.3642 15.4587 15.4587 15.5377 15.5377 k = 0.1574 0.1330 0.7748 ( 1356 PWs) bands (ev): -30.9848 -30.9848 -12.9916 -12.9916 -12.4808 -12.4808 -12.1906 -12.1906 -11.8202 -11.8202 -0.5655 -0.5655 2.2299 2.2299 2.6583 2.6583 3.5967 3.5967 7.9782 7.9782 10.1239 10.1239 14.3745 14.3745 15.4780 15.4780 15.5378 15.5378 k = 0.1667 0.1408 0.7748 ( 1364 PWs) bands (ev): -30.9848 -30.9848 -12.9962 -12.9962 -12.4797 -12.4797 -12.1910 -12.1910 -11.8146 -11.8146 -0.5842 -0.5842 2.2450 2.2450 2.6337 2.6337 3.6259 3.6259 8.0686 8.0686 10.0154 10.0154 14.3850 14.3850 15.4982 15.4982 15.5357 15.5360 k = 0.1759 0.1486 0.7748 ( 1364 PWs) bands (ev): -30.9848 -30.9848 -13.0004 -13.0004 -12.4786 -12.4786 -12.1914 -12.1914 -11.8094 -11.8094 -0.6015 -0.6015 2.2609 2.2609 2.6089 2.6089 3.6532 3.6532 8.1623 8.1623 9.9051 9.9051 14.3956 14.3956 15.4938 15.4938 15.5260 15.5260 k = 0.1852 0.1564 0.7748 ( 1368 PWs) bands (ev): -30.9848 -30.9848 -13.0043 -13.0043 -12.4777 -12.4777 -12.1918 -12.1918 -11.8046 -11.8046 -0.6172 -0.6172 2.2777 2.2777 2.5841 2.5841 3.6780 3.6780 8.2589 8.2589 9.7934 9.7934 14.4059 14.4059 15.4599 15.4599 15.5365 15.5366 k = 0.1944 0.1643 0.7748 ( 1380 PWs) bands (ev): -30.9848 -30.9848 -13.0077 -13.0077 -12.4770 -12.4770 -12.1922 -12.1922 -11.8004 -11.8004 -0.6312 -0.6312 2.2952 2.2952 2.5593 2.5593 3.7001 3.7001 8.3584 8.3584 9.6804 9.6804 14.4157 14.4157 15.4275 15.4275 15.5372 15.5372 k = 0.2037 0.1721 0.7748 ( 1380 PWs) bands (ev): -30.9848 -30.9848 -13.0107 -13.0107 -12.4762 -12.4762 -12.1925 -12.1925 -11.7967 -11.7967 -0.6432 -0.6432 2.3135 2.3135 2.5348 2.5348 3.7194 3.7194 8.4605 8.4605 9.5669 9.5669 14.4249 14.4249 15.3984 15.3984 15.5374 15.5374 k = 0.2130 0.1799 0.7748 ( 1376 PWs) bands (ev): -30.9848 -30.9848 -13.0131 -13.0131 -12.4756 -12.4756 -12.1927 -12.1927 -11.7936 -11.7936 -0.6532 -0.6532 2.3326 2.3326 2.5106 2.5106 3.7354 3.7354 8.5648 8.5648 9.4529 9.4529 14.4330 14.4330 15.3735 15.3735 15.5375 15.5375 k = 0.2222 0.1877 0.7748 ( 1376 PWs) bands (ev): -30.9848 -30.9848 -13.0150 -13.0150 -12.4752 -12.4752 -12.1929 -12.1929 -11.7911 -11.7911 -0.6611 -0.6611 2.3524 2.3524 2.4867 2.4867 3.7481 3.7481 8.6713 8.6713 9.3390 9.3390 14.4398 14.4398 15.3534 15.3534 15.5375 15.5375 k = 0.2315 0.1955 0.7748 ( 1376 PWs) bands (ev): -30.9848 -30.9848 -13.0164 -13.0164 -12.4748 -12.4748 -12.1931 -12.1931 -11.7893 -11.7893 -0.6668 -0.6668 2.3729 2.3729 2.4633 2.4633 3.7573 3.7573 8.7796 8.7796 9.2252 9.2252 14.4448 14.4448 15.3385 15.3385 15.5375 15.5375 k = 0.2407 0.2034 0.7748 ( 1368 PWs) bands (ev): -30.9848 -30.9848 -13.0172 -13.0172 -12.4745 -12.4745 -12.1931 -12.1931 -11.7882 -11.7882 -0.6703 -0.6703 2.3940 2.3940 2.4405 2.4405 3.7628 3.7628 8.8896 8.8896 9.1121 9.1121 14.4480 14.4480 15.3294 15.3294 15.5377 15.5377 k = 0.2500 0.2112 0.7748 ( 1368 PWs) bands (ev): -30.9848 -30.9848 -13.0175 -13.0175 -12.4745 -12.4745 -12.1931 -12.1931 -11.7879 -11.7879 -0.6714 -0.6714 2.4127 2.4127 2.4211 2.4211 3.7647 3.7647 8.9971 8.9971 9.0035 9.0035 14.4491 14.4491 15.3264 15.3264 15.5377 15.5377 Writing output data file CaN2.save init_run : 0.15s CPU 0.39s WALL ( 1 calls) electrons : 64.34s CPU 67.18s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.09s WALL ( 1 calls) potinit : 0.01s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 64.33s CPU 67.17s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.02s CPU 0.02s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.03s WALL ( 445 calls) cegterg : 60.19s CPU 61.50s WALL ( 695 calls) Called by sum_band: Called by *egterg: h_psi : 24.74s CPU 25.82s WALL ( 11391 calls) s_psi : 1.04s CPU 1.05s WALL ( 11391 calls) g_psi : 0.07s CPU 0.07s WALL ( 10251 calls) cdiaghg : 31.82s CPU 32.13s WALL ( 10696 calls) cegterg:over : 1.92s CPU 1.98s WALL ( 10251 calls) cegterg:upda : 1.38s CPU 1.44s WALL ( 10251 calls) cegterg:last : 0.72s CPU 0.77s WALL ( 1985 calls) cdiaghg:chol : 1.66s CPU 1.61s WALL ( 10696 calls) cdiaghg:inve : 0.54s CPU 0.64s WALL ( 10696 calls) cdiaghg:para : 2.00s CPU 2.02s WALL ( 21392 calls) Called by h_psi: h_psi:vloc : 22.26s CPU 23.23s WALL ( 11391 calls) h_psi:vnl : 2.46s CPU 2.55s WALL ( 11391 calls) add_vuspsi : 1.32s CPU 1.34s WALL ( 11391 calls) General routines calbec : 1.11s CPU 1.18s WALL ( 11391 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 20.32s CPU 21.24s WALL ( 642544 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.08s CPU 0.19s WALL ( 890 calls) Parallel routines fft_scatter : 12.66s CPU 13.36s WALL ( 642567 calls) PWSCF : 1m13.38s CPU 1m45.20s WALL This run was terminated on: 16:53: 4 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=