Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19: 5:26 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: ./SrxNiGex2.save/ file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D 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 62 39 12 1206 605 100 Max 63 40 13 1208 621 101 Sum 2245 1429 433 43441 22115 3629 bravais-lattice index = 14 lattice parameter (alat) = 11.1727 a.u. unit-cell volume = 603.7790 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 38.00 number of Kohn-Sham states= 46 kinetic-energy cutoff = 42.0000 Ry charge density cutoff = 263.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.172680 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.750065 celldm(5)= -0.750065 celldm(6)= 0.500131 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.500131 0.865950 0.000000 ) a(3) = ( -0.750065 -0.432975 0.499935 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.577552 1.000131 ) b(2) = ( 0.000000 1.154801 1.000131 ) b(3) = ( 0.000000 0.000000 2.000262 ) PseudoPot. # 1 for Ge read from file: /users/gautes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ni read from file: /users/gautes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 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 1195 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. # 3 for Sr read from file: /users/gautes/Pseudo/Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 971034ad0a3914f6282d12395b0824f8 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 1221 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 atomic species valence mass pseudopotential Ge 4.00 72.64000 Ge( 1.00) Ni 10.00 58.69340 Ni( 1.00) Sr 10.00 87.62000 Sr( 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= 347 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028818 k( 2) = ( 0.0000000 0.0000000 0.0185209), wk = 0.0028818 k( 3) = ( 0.0000000 0.0000000 0.0370419), wk = 0.0028818 k( 4) = ( 0.0000000 0.0000000 0.0555628), wk = 0.0028818 k( 5) = ( 0.0000000 0.0000000 0.0740838), wk = 0.0028818 k( 6) = ( 0.0000000 0.0000000 0.0926047), wk = 0.0028818 k( 7) = ( 0.0000000 0.0000000 0.1111257), wk = 0.0028818 k( 8) = ( 0.0000000 0.0000000 0.1296466), wk = 0.0028818 k( 9) = ( 0.0000000 0.0000000 0.1481675), wk = 0.0028818 k( 10) = ( 0.0000000 0.0000000 0.1666885), wk = 0.0028818 k( 11) = ( 0.0000000 0.0000000 0.1852094), wk = 0.0028818 k( 12) = ( 0.0000000 0.0000000 0.2037304), wk = 0.0028818 k( 13) = ( 0.0000000 0.0000000 0.2222513), wk = 0.0028818 k( 14) = ( 0.0000000 0.0000000 0.2407723), wk = 0.0028818 k( 15) = ( 0.0000000 0.0000000 0.2592932), wk = 0.0028818 k( 16) = ( 0.0000000 0.0000000 0.2778142), wk = 0.0028818 k( 17) = ( 0.0000000 0.0000000 0.2963351), wk = 0.0028818 k( 18) = ( 0.0000000 0.0000000 0.3148560), wk = 0.0028818 k( 19) = ( 0.0000000 0.0000000 0.3333770), wk = 0.0028818 k( 20) = ( 0.0000000 0.0000000 0.3518979), wk = 0.0028818 k( 21) = ( 0.0000000 0.0000000 0.3704189), wk = 0.0028818 k( 22) = ( 0.0000000 0.0000000 0.3889398), wk = 0.0028818 k( 23) = ( 0.0000000 0.0000000 0.4074608), wk = 0.0028818 k( 24) = ( 0.0000000 0.0000000 0.4259817), wk = 0.0028818 k( 25) = ( 0.0000000 0.0000000 0.4445026), wk = 0.0028818 k( 26) = ( 0.0000000 0.0000000 0.4630236), wk = 0.0028818 k( 27) = ( 0.0000000 0.0000000 0.4815445), wk = 0.0028818 k( 28) = ( 0.0000000 0.0000000 0.5000655), wk = 0.0028818 k( 29) = ( 0.0000000 0.0000000 0.5185864), wk = 0.0028818 k( 30) = ( 0.0000000 0.0000000 0.5371074), wk = 0.0028818 k( 31) = ( 0.0000000 0.0000000 0.5556283), wk = 0.0028818 k( 32) = ( 0.0000000 0.0000000 0.5741493), wk = 0.0028818 k( 33) = ( 0.0000000 0.0000000 0.5926702), wk = 0.0028818 k( 34) = ( 0.0000000 0.0000000 0.6111912), wk = 0.0028818 k( 35) = ( 0.0000000 0.0000000 0.6297121), wk = 0.0028818 k( 36) = ( 0.0000000 0.0000000 0.6482330), wk = 0.0028818 k( 37) = ( 0.0000000 0.0000000 0.6667540), wk = 0.0028818 k( 38) = ( 0.0000000 0.0000000 0.6852749), wk = 0.0028818 k( 39) = ( 0.0000000 0.0000000 0.7037959), wk = 0.0028818 k( 40) = ( 0.0000000 0.0000000 0.7223168), wk = 0.0028818 k( 41) = ( 0.0000000 0.0000000 0.7408378), wk = 0.0028818 k( 42) = ( 0.0000000 0.0000000 0.7593587), wk = 0.0028818 k( 43) = ( 0.0000000 0.0000000 0.7778796), wk = 0.0028818 k( 44) = ( 0.0000000 0.0000000 0.7964006), wk = 0.0028818 k( 45) = ( 0.0000000 0.0000000 0.8149215), wk = 0.0028818 k( 46) = ( 0.0000000 0.0000000 0.8334425), wk = 0.0028818 k( 47) = ( 0.0000000 0.0000000 0.8519634), wk = 0.0028818 k( 48) = ( 0.0000000 0.0000000 0.8704844), wk = 0.0028818 k( 49) = ( 0.0000000 0.0000000 0.8890053), wk = 0.0028818 k( 50) = ( 0.0000000 0.0000000 0.9075262), wk = 0.0028818 k( 51) = ( 0.0000000 0.0000000 0.9260472), wk = 0.0028818 k( 52) = ( 0.0000000 0.0000000 0.9445681), wk = 0.0028818 k( 53) = ( 0.0000000 0.0000000 0.9630891), wk = 0.0028818 k( 54) = ( 0.0000000 0.0000000 0.9816100), wk = 0.0028818 k( 55) = ( 0.0000000 0.0000000 1.0001310), wk = 0.0028818 k( 56) = ( 0.0000000 0.0000000 1.0001310), wk = 0.0028818 k( 57) = ( -0.0092560 0.0160347 1.0001310), wk = 0.0028818 k( 58) = ( -0.0185120 0.0320694 1.0001310), wk = 0.0028818 k( 59) = ( -0.0277681 0.0481041 1.0001310), wk = 0.0028818 k( 60) = ( -0.0370241 0.0641388 1.0001310), wk = 0.0028818 k( 61) = ( -0.0462801 0.0801735 1.0001310), wk = 0.0028818 k( 62) = ( -0.0555362 0.0962082 1.0001310), wk = 0.0028818 k( 63) = ( -0.0647922 0.1122430 1.0001310), wk = 0.0028818 k( 64) = ( -0.0740482 0.1282777 1.0001310), wk = 0.0028818 k( 65) = ( -0.0833042 0.1443124 1.0001310), wk = 0.0028818 k( 66) = ( -0.0833042 0.1443124 1.0001310), wk = 0.0028818 k( 67) = ( -0.0898151 0.1555915 0.9871075), wk = 0.0028818 k( 68) = ( -0.0963260 0.1668706 0.9740841), wk = 0.0028818 k( 69) = ( -0.1028368 0.1781498 0.9610606), wk = 0.0028818 k( 70) = ( -0.1093477 0.1894289 0.9480372), wk = 0.0028818 k( 71) = ( -0.1158586 0.2007080 0.9350137), wk = 0.0028818 k( 72) = ( -0.1223695 0.2119871 0.9219903), wk = 0.0028818 k( 73) = ( -0.1288803 0.2232663 0.9089668), wk = 0.0028818 k( 74) = ( -0.1353912 0.2345454 0.8959434), wk = 0.0028818 k( 75) = ( -0.1419021 0.2458245 0.8829199), wk = 0.0028818 k( 76) = ( -0.1484129 0.2571037 0.8698965), wk = 0.0028818 k( 77) = ( -0.1549238 0.2683828 0.8568730), wk = 0.0028818 k( 78) = ( -0.1614347 0.2796619 0.8438496), wk = 0.0028818 k( 79) = ( -0.1679456 0.2909410 0.8308261), wk = 0.0028818 k( 80) = ( -0.1744564 0.3022202 0.8178027), wk = 0.0028818 k( 81) = ( -0.1809673 0.3134993 0.8047792), wk = 0.0028818 k( 82) = ( -0.1874782 0.3247784 0.7917558), wk = 0.0028818 k( 83) = ( -0.1939890 0.3360576 0.7787324), wk = 0.0028818 k( 84) = ( -0.2004999 0.3473367 0.7657089), wk = 0.0028818 k( 85) = ( -0.2070108 0.3586158 0.7526855), wk = 0.0028818 k( 86) = ( -0.2135217 0.3698949 0.7396620), wk = 0.0028818 k( 87) = ( -0.2200325 0.3811741 0.7266386), wk = 0.0028818 k( 88) = ( -0.2265434 0.3924532 0.7136151), wk = 0.0028818 k( 89) = ( -0.2330543 0.4037323 0.7005917), wk = 0.0028818 k( 90) = ( -0.2395652 0.4150115 0.6875682), wk = 0.0028818 k( 91) = ( -0.2460760 0.4262906 0.6745448), wk = 0.0028818 k( 92) = ( -0.2525869 0.4375697 0.6615213), wk = 0.0028818 k( 93) = ( -0.2590978 0.4488488 0.6484979), wk = 0.0028818 k( 94) = ( -0.2656086 0.4601280 0.6354744), wk = 0.0028818 k( 95) = ( -0.2721195 0.4714071 0.6224510), wk = 0.0028818 k( 96) = ( -0.2786304 0.4826862 0.6094275), wk = 0.0028818 k( 97) = ( -0.2851413 0.4939654 0.5964041), wk = 0.0028818 k( 98) = ( -0.2916521 0.5052445 0.5833806), wk = 0.0028818 k( 99) = ( -0.2916521 0.5052445 0.5833806), wk = 0.0028818 k( 100) = ( -0.2850237 0.4937617 0.5701220), wk = 0.0028818 k( 101) = ( -0.2783952 0.4822788 0.5568633), wk = 0.0028818 k( 102) = ( -0.2717668 0.4707960 0.5436047), wk = 0.0028818 k( 103) = ( -0.2651383 0.4593132 0.5303460), wk = 0.0028818 k( 104) = ( -0.2585098 0.4478303 0.5170874), wk = 0.0028818 k( 105) = ( -0.2518814 0.4363475 0.5038287), wk = 0.0028818 k( 106) = ( -0.2452529 0.4248647 0.4905701), wk = 0.0028818 k( 107) = ( -0.2386245 0.4133819 0.4773114), wk = 0.0028818 k( 108) = ( -0.2319960 0.4018990 0.4640528), wk = 0.0028818 k( 109) = ( -0.2253675 0.3904162 0.4507941), wk = 0.0028818 k( 110) = ( -0.2187391 0.3789334 0.4375355), wk = 0.0028818 k( 111) = ( -0.2121106 0.3674505 0.4242768), wk = 0.0028818 k( 112) = ( -0.2054822 0.3559677 0.4110182), wk = 0.0028818 k( 113) = ( -0.1988537 0.3444849 0.3977595), wk = 0.0028818 k( 114) = ( -0.1922253 0.3330021 0.3845009), wk = 0.0028818 k( 115) = ( -0.1855968 0.3215192 0.3712422), wk = 0.0028818 k( 116) = ( -0.1789683 0.3100364 0.3579836), wk = 0.0028818 k( 117) = ( -0.1723399 0.2985536 0.3447249), wk = 0.0028818 k( 118) = ( -0.1657114 0.2870707 0.3314663), wk = 0.0028818 k( 119) = ( -0.1590830 0.2755879 0.3182076), wk = 0.0028818 k( 120) = ( -0.1524545 0.2641051 0.3049490), wk = 0.0028818 k( 121) = ( -0.1458261 0.2526222 0.2916903), wk = 0.0028818 k( 122) = ( -0.1391976 0.2411394 0.2784317), wk = 0.0028818 k( 123) = ( -0.1325691 0.2296566 0.2651730), wk = 0.0028818 k( 124) = ( -0.1259407 0.2181738 0.2519144), wk = 0.0028818 k( 125) = ( -0.1193122 0.2066909 0.2386557), wk = 0.0028818 k( 126) = ( -0.1126838 0.1952081 0.2253971), wk = 0.0028818 k( 127) = ( -0.1060553 0.1837253 0.2121384), wk = 0.0028818 k( 128) = ( -0.0994269 0.1722424 0.1988798), wk = 0.0028818 k( 129) = ( -0.0927984 0.1607596 0.1856211), wk = 0.0028818 k( 130) = ( -0.0861699 0.1492768 0.1723625), wk = 0.0028818 k( 131) = ( -0.0795415 0.1377940 0.1591038), wk = 0.0028818 k( 132) = ( -0.0729130 0.1263111 0.1458452), wk = 0.0028818 k( 133) = ( -0.0662846 0.1148283 0.1325865), wk = 0.0028818 k( 134) = ( -0.0596561 0.1033455 0.1193279), wk = 0.0028818 k( 135) = ( -0.0530277 0.0918626 0.1060692), wk = 0.0028818 k( 136) = ( -0.0463992 0.0803798 0.0928106), wk = 0.0028818 k( 137) = ( -0.0397707 0.0688970 0.0795519), wk = 0.0028818 k( 138) = ( -0.0331423 0.0574142 0.0662933), wk = 0.0028818 k( 139) = ( -0.0265138 0.0459313 0.0530346), wk = 0.0028818 k( 140) = ( -0.0198854 0.0344485 0.0397759), wk = 0.0028818 k( 141) = ( -0.0132569 0.0229657 0.0265173), wk = 0.0028818 k( 142) = ( -0.0066285 0.0114828 0.0132587), wk = 0.0028818 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028818 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028818 k( 145) = ( 0.0161290 0.0093105 -0.0000000), wk = 0.0028818 k( 146) = ( 0.0322581 0.0186209 -0.0000000), wk = 0.0028818 k( 147) = ( 0.0483871 0.0279314 -0.0000000), wk = 0.0028818 k( 148) = ( 0.0645161 0.0372419 -0.0000000), wk = 0.0028818 k( 149) = ( 0.0806452 0.0465524 -0.0000000), wk = 0.0028818 k( 150) = ( 0.0967742 0.0558629 -0.0000000), wk = 0.0028818 k( 151) = ( 0.1129032 0.0651733 -0.0000000), wk = 0.0028818 k( 152) = ( 0.1290323 0.0744838 -0.0000000), wk = 0.0028818 k( 153) = ( 0.1451613 0.0837943 -0.0000000), wk = 0.0028818 k( 154) = ( 0.1612903 0.0931048 -0.0000000), wk = 0.0028818 k( 155) = ( 0.1774194 0.1024152 -0.0000000), wk = 0.0028818 k( 156) = ( 0.1935484 0.1117257 -0.0000000), wk = 0.0028818 k( 157) = ( 0.2096774 0.1210362 -0.0000000), wk = 0.0028818 k( 158) = ( 0.2258064 0.1303467 -0.0000000), wk = 0.0028818 k( 159) = ( 0.2419355 0.1396571 -0.0000000), wk = 0.0028818 k( 160) = ( 0.2580645 0.1489676 -0.0000000), wk = 0.0028818 k( 161) = ( 0.2741936 0.1582781 -0.0000000), wk = 0.0028818 k( 162) = ( 0.2903226 0.1675886 -0.0000000), wk = 0.0028818 k( 163) = ( 0.3064516 0.1768990 -0.0000000), wk = 0.0028818 k( 164) = ( 0.3225807 0.1862095 -0.0000000), wk = 0.0028818 k( 165) = ( 0.3387097 0.1955200 -0.0000000), wk = 0.0028818 k( 166) = ( 0.3548387 0.2048305 -0.0000000), wk = 0.0028818 k( 167) = ( 0.3709677 0.2141409 -0.0000000), wk = 0.0028818 k( 168) = ( 0.3870968 0.2234514 -0.0000000), wk = 0.0028818 k( 169) = ( 0.4032258 0.2327619 -0.0000000), wk = 0.0028818 k( 170) = ( 0.4193548 0.2420724 -0.0000000), wk = 0.0028818 k( 171) = ( 0.4354839 0.2513828 -0.0000000), wk = 0.0028818 k( 172) = ( 0.4516129 0.2606933 -0.0000000), wk = 0.0028818 k( 173) = ( 0.4677419 0.2700038 -0.0000000), wk = 0.0028818 k( 174) = ( 0.4838710 0.2793143 -0.0000000), wk = 0.0028818 k( 175) = ( 0.5000000 0.2886247 -0.0000000), wk = 0.0028818 k( 176) = ( 0.5000000 0.2886247 -0.0000000), wk = 0.0028818 k( 177) = ( 0.4934891 0.2999039 0.0130234), wk = 0.0028818 k( 178) = ( 0.4869783 0.3111830 0.0260469), wk = 0.0028818 k( 179) = ( 0.4804674 0.3224621 0.0390703), wk = 0.0028818 k( 180) = ( 0.4739565 0.3337413 0.0520938), wk = 0.0028818 k( 181) = ( 0.4674456 0.3450204 0.0651172), wk = 0.0028818 k( 182) = ( 0.4609348 0.3562995 0.0781407), wk = 0.0028818 k( 183) = ( 0.4544239 0.3675786 0.0911641), wk = 0.0028818 k( 184) = ( 0.4479130 0.3788578 0.1041876), wk = 0.0028818 k( 185) = ( 0.4414022 0.3901369 0.1172110), wk = 0.0028818 k( 186) = ( 0.4348913 0.4014160 0.1302345), wk = 0.0028818 k( 187) = ( 0.4283804 0.4126951 0.1432579), wk = 0.0028818 k( 188) = ( 0.4218695 0.4239743 0.1562814), wk = 0.0028818 k( 189) = ( 0.4153587 0.4352534 0.1693048), wk = 0.0028818 k( 190) = ( 0.4088478 0.4465325 0.1823283), wk = 0.0028818 k( 191) = ( 0.4023369 0.4578117 0.1953517), wk = 0.0028818 k( 192) = ( 0.3958261 0.4690908 0.2083752), wk = 0.0028818 k( 193) = ( 0.3893152 0.4803699 0.2213986), wk = 0.0028818 k( 194) = ( 0.3828043 0.4916491 0.2344221), wk = 0.0028818 k( 195) = ( 0.3762934 0.5029282 0.2474455), wk = 0.0028818 k( 196) = ( 0.3697826 0.5142073 0.2604690), wk = 0.0028818 k( 197) = ( 0.3632717 0.5254865 0.2734924), wk = 0.0028818 k( 198) = ( 0.3567608 0.5367656 0.2865159), wk = 0.0028818 k( 199) = ( 0.3502500 0.5480447 0.2995393), wk = 0.0028818 k( 200) = ( 0.3437391 0.5593238 0.3125627), wk = 0.0028818 k( 201) = ( 0.3372282 0.5706030 0.3255862), wk = 0.0028818 k( 202) = ( 0.3307174 0.5818821 0.3386096), wk = 0.0028818 k( 203) = ( 0.3242065 0.5931612 0.3516331), wk = 0.0028818 k( 204) = ( 0.3176956 0.6044404 0.3646566), wk = 0.0028818 k( 205) = ( 0.3111847 0.6157195 0.3776800), wk = 0.0028818 k( 206) = ( 0.3046739 0.6269986 0.3907034), wk = 0.0028818 k( 207) = ( 0.2981630 0.6382777 0.4037269), wk = 0.0028818 k( 208) = ( 0.2916521 0.6495569 0.4167503), wk = 0.0028818 k( 209) = ( 0.2916521 0.6495569 0.4167503), wk = 0.0028818 k( 210) = ( 0.2744961 0.6453124 0.4216512), wk = 0.0028818 k( 211) = ( 0.2573401 0.6410679 0.4265521), wk = 0.0028818 k( 212) = ( 0.2401841 0.6368234 0.4314530), wk = 0.0028818 k( 213) = ( 0.2230281 0.6325789 0.4363539), wk = 0.0028818 k( 214) = ( 0.2058721 0.6283345 0.4412548), wk = 0.0028818 k( 215) = ( 0.1887161 0.6240900 0.4461557), wk = 0.0028818 k( 216) = ( 0.1715601 0.6198455 0.4510566), wk = 0.0028818 k( 217) = ( 0.1544041 0.6156010 0.4559575), wk = 0.0028818 k( 218) = ( 0.1372481 0.6113565 0.4608583), wk = 0.0028818 k( 219) = ( 0.1200921 0.6071120 0.4657592), wk = 0.0028818 k( 220) = ( 0.1029360 0.6028676 0.4706601), wk = 0.0028818 k( 221) = ( 0.0857800 0.5986231 0.4755610), wk = 0.0028818 k( 222) = ( 0.0686240 0.5943786 0.4804619), wk = 0.0028818 k( 223) = ( 0.0514680 0.5901341 0.4853628), wk = 0.0028818 k( 224) = ( 0.0343120 0.5858897 0.4902637), wk = 0.0028818 k( 225) = ( 0.0171560 0.5816452 0.4951646), wk = 0.0028818 k( 226) = ( 0.0000000 0.5774007 0.5000655), wk = 0.0028818 k( 227) = ( 0.0000000 0.5774007 0.5000655), wk = 0.0028818 k( 228) = ( 0.0065790 0.5660036 0.5132251), wk = 0.0028818 k( 229) = ( 0.0131579 0.5546066 0.5263847), wk = 0.0028818 k( 230) = ( 0.0197368 0.5432095 0.5395443), wk = 0.0028818 k( 231) = ( 0.0263158 0.5318124 0.5527040), wk = 0.0028818 k( 232) = ( 0.0328947 0.5204154 0.5658636), wk = 0.0028818 k( 233) = ( 0.0394737 0.5090183 0.5790232), wk = 0.0028818 k( 234) = ( 0.0460526 0.4976213 0.5921828), wk = 0.0028818 k( 235) = ( 0.0526316 0.4862242 0.6053424), wk = 0.0028818 k( 236) = ( 0.0592105 0.4748271 0.6185021), wk = 0.0028818 k( 237) = ( 0.0657895 0.4634301 0.6316617), wk = 0.0028818 k( 238) = ( 0.0723684 0.4520330 0.6448213), wk = 0.0028818 k( 239) = ( 0.0789474 0.4406359 0.6579809), wk = 0.0028818 k( 240) = ( 0.0855263 0.4292389 0.6711405), wk = 0.0028818 k( 241) = ( 0.0921053 0.4178418 0.6843001), wk = 0.0028818 k( 242) = ( 0.0986842 0.4064448 0.6974598), wk = 0.0028818 k( 243) = ( 0.1052632 0.3950477 0.7106194), wk = 0.0028818 k( 244) = ( 0.1118421 0.3836506 0.7237790), wk = 0.0028818 k( 245) = ( 0.1184210 0.3722536 0.7369386), wk = 0.0028818 k( 246) = ( 0.1250000 0.3608565 0.7500982), wk = 0.0028818 k( 247) = ( 0.1315790 0.3494595 0.7632578), wk = 0.0028818 k( 248) = ( 0.1381579 0.3380624 0.7764175), wk = 0.0028818 k( 249) = ( 0.1447368 0.3266653 0.7895771), wk = 0.0028818 k( 250) = ( 0.1513158 0.3152683 0.8027367), wk = 0.0028818 k( 251) = ( 0.1578947 0.3038712 0.8158963), wk = 0.0028818 k( 252) = ( 0.1644737 0.2924742 0.8290559), wk = 0.0028818 k( 253) = ( 0.1710526 0.2810771 0.8422155), wk = 0.0028818 k( 254) = ( 0.1776316 0.2696800 0.8553752), wk = 0.0028818 k( 255) = ( 0.1842105 0.2582830 0.8685348), wk = 0.0028818 k( 256) = ( 0.1907895 0.2468859 0.8816944), wk = 0.0028818 k( 257) = ( 0.1973684 0.2354889 0.8948540), wk = 0.0028818 k( 258) = ( 0.2039474 0.2240918 0.9080136), wk = 0.0028818 k( 259) = ( 0.2105263 0.2126947 0.9211733), wk = 0.0028818 k( 260) = ( 0.2171053 0.2012977 0.9343329), wk = 0.0028818 k( 261) = ( 0.2236842 0.1899006 0.9474925), wk = 0.0028818 k( 262) = ( 0.2302632 0.1785035 0.9606521), wk = 0.0028818 k( 263) = ( 0.2368421 0.1671065 0.9738117), wk = 0.0028818 k( 264) = ( 0.2434210 0.1557094 0.9869713), wk = 0.0028818 k( 265) = ( 0.2500000 0.1443124 1.0001310), wk = 0.0028818 k( 266) = ( 0.2500000 0.1443124 1.0001310), wk = 0.0028818 k( 267) = ( 0.2638889 0.1523297 0.9908737), wk = 0.0028818 k( 268) = ( 0.2777778 0.1603471 0.9816165), wk = 0.0028818 k( 269) = ( 0.2916667 0.1683644 0.9723592), wk = 0.0028818 k( 270) = ( 0.3055556 0.1763818 0.9631020), wk = 0.0028818 k( 271) = ( 0.3194444 0.1843991 0.9538448), wk = 0.0028818 k( 272) = ( 0.3333333 0.1924165 0.9445875), wk = 0.0028818 k( 273) = ( 0.3472222 0.2004338 0.9353303), wk = 0.0028818 k( 274) = ( 0.3611111 0.2084512 0.9260730), wk = 0.0028818 k( 275) = ( 0.3750000 0.2164686 0.9168158), wk = 0.0028818 k( 276) = ( 0.3888889 0.2244859 0.9075586), wk = 0.0028818 k( 277) = ( 0.4027778 0.2325033 0.8983014), wk = 0.0028818 k( 278) = ( 0.4166667 0.2405206 0.8890441), wk = 0.0028818 k( 279) = ( 0.4305556 0.2485380 0.8797869), wk = 0.0028818 k( 280) = ( 0.4444444 0.2565553 0.8705296), wk = 0.0028818 k( 281) = ( 0.4583333 0.2645727 0.8612724), wk = 0.0028818 k( 282) = ( 0.4722222 0.2725900 0.8520152), wk = 0.0028818 k( 283) = ( 0.4861111 0.2806074 0.8427579), wk = 0.0028818 k( 284) = ( 0.5000000 0.2886247 0.8335007), wk = 0.0028818 k( 285) = ( 0.5000000 0.2886247 0.8335007), wk = 0.0028818 k( 286) = ( 0.5000000 0.2886247 0.8149784), wk = 0.0028818 k( 287) = ( 0.5000000 0.2886247 0.7964562), wk = 0.0028818 k( 288) = ( 0.5000000 0.2886247 0.7779339), wk = 0.0028818 k( 289) = ( 0.5000000 0.2886247 0.7594117), wk = 0.0028818 k( 290) = ( 0.5000000 0.2886247 0.7408895), wk = 0.0028818 k( 291) = ( 0.5000000 0.2886247 0.7223673), wk = 0.0028818 k( 292) = ( 0.5000000 0.2886247 0.7038450), wk = 0.0028818 k( 293) = ( 0.5000000 0.2886247 0.6853228), wk = 0.0028818 k( 294) = ( 0.5000000 0.2886247 0.6668005), wk = 0.0028818 k( 295) = ( 0.5000000 0.2886247 0.6482783), wk = 0.0028818 k( 296) = ( 0.5000000 0.2886247 0.6297561), wk = 0.0028818 k( 297) = ( 0.5000000 0.2886247 0.6112338), wk = 0.0028818 k( 298) = ( 0.5000000 0.2886247 0.5927116), wk = 0.0028818 k( 299) = ( 0.5000000 0.2886247 0.5741893), wk = 0.0028818 k( 300) = ( 0.5000000 0.2886247 0.5556671), wk = 0.0028818 k( 301) = ( 0.5000000 0.2886247 0.5371449), wk = 0.0028818 k( 302) = ( 0.5000000 0.2886247 0.5186226), wk = 0.0028818 k( 303) = ( 0.5000000 0.2886247 0.5001004), wk = 0.0028818 k( 304) = ( 0.5000000 0.2886247 0.4815782), wk = 0.0028818 k( 305) = ( 0.5000000 0.2886247 0.4630559), wk = 0.0028818 k( 306) = ( 0.5000000 0.2886247 0.4445337), wk = 0.0028818 k( 307) = ( 0.5000000 0.2886247 0.4260114), wk = 0.0028818 k( 308) = ( 0.5000000 0.2886247 0.4074892), wk = 0.0028818 k( 309) = ( 0.5000000 0.2886247 0.3889670), wk = 0.0028818 k( 310) = ( 0.5000000 0.2886247 0.3704447), wk = 0.0028818 k( 311) = ( 0.5000000 0.2886247 0.3519225), wk = 0.0028818 k( 312) = ( 0.5000000 0.2886247 0.3334003), wk = 0.0028818 k( 313) = ( 0.5000000 0.2886247 0.3148780), wk = 0.0028818 k( 314) = ( 0.5000000 0.2886247 0.2963558), wk = 0.0028818 k( 315) = ( 0.5000000 0.2886247 0.2778336), wk = 0.0028818 k( 316) = ( 0.5000000 0.2886247 0.2593113), wk = 0.0028818 k( 317) = ( 0.5000000 0.2886247 0.2407891), wk = 0.0028818 k( 318) = ( 0.5000000 0.2886247 0.2222668), wk = 0.0028818 k( 319) = ( 0.5000000 0.2886247 0.2037446), wk = 0.0028818 k( 320) = ( 0.5000000 0.2886247 0.1852224), wk = 0.0028818 k( 321) = ( 0.5000000 0.2886247 0.1667001), wk = 0.0028818 k( 322) = ( 0.5000000 0.2886247 0.1481779), wk = 0.0028818 k( 323) = ( 0.5000000 0.2886247 0.1296557), wk = 0.0028818 k( 324) = ( 0.5000000 0.2886247 0.1111334), wk = 0.0028818 k( 325) = ( 0.5000000 0.2886247 0.0926112), wk = 0.0028818 k( 326) = ( 0.5000000 0.2886247 0.0740889), wk = 0.0028818 k( 327) = ( 0.5000000 0.2886247 0.0555667), wk = 0.0028818 k( 328) = ( 0.5000000 0.2886247 0.0370445), wk = 0.0028818 k( 329) = ( 0.5000000 0.2886247 0.0185222), wk = 0.0028818 k( 330) = ( 0.5000000 0.2886247 -0.0000000), wk = 0.0028818 k( 331) = ( 0.0000000 0.0000000 1.0001310), wk = 0.0028818 k( 332) = ( 0.0156250 0.0090195 1.0001310), wk = 0.0028818 k( 333) = ( 0.0312500 0.0180390 1.0001310), wk = 0.0028818 k( 334) = ( 0.0468750 0.0270586 1.0001310), wk = 0.0028818 k( 335) = ( 0.0625000 0.0360781 1.0001310), wk = 0.0028818 k( 336) = ( 0.0781250 0.0450976 1.0001310), wk = 0.0028818 k( 337) = ( 0.0937500 0.0541171 1.0001310), wk = 0.0028818 k( 338) = ( 0.1093750 0.0631367 1.0001310), wk = 0.0028818 k( 339) = ( 0.1250000 0.0721562 1.0001310), wk = 0.0028818 k( 340) = ( 0.1406250 0.0811757 1.0001310), wk = 0.0028818 k( 341) = ( 0.1562500 0.0901952 1.0001310), wk = 0.0028818 k( 342) = ( 0.1718750 0.0992148 1.0001310), wk = 0.0028818 k( 343) = ( 0.1875000 0.1082343 1.0001310), wk = 0.0028818 k( 344) = ( 0.2031250 0.1172538 1.0001310), wk = 0.0028818 k( 345) = ( 0.2187500 0.1262733 1.0001310), wk = 0.0028818 k( 346) = ( 0.2343750 0.1352928 1.0001310), wk = 0.0028818 k( 347) = ( 0.2500000 0.1443124 1.0001310), wk = 0.0028818 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028818 k( 2) = ( 0.0000000 0.0000000 0.0092593), wk = 0.0028818 k( 3) = ( 0.0000000 0.0000000 0.0185185), wk = 0.0028818 k( 4) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0028818 k( 5) = ( 0.0000000 0.0000000 0.0370370), wk = 0.0028818 k( 6) = ( 0.0000000 0.0000000 0.0462963), wk = 0.0028818 k( 7) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0028818 k( 8) = ( 0.0000000 0.0000000 0.0648148), wk = 0.0028818 k( 9) = ( 0.0000000 0.0000000 0.0740741), wk = 0.0028818 k( 10) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0028818 k( 11) = ( 0.0000000 0.0000000 0.0925926), wk = 0.0028818 k( 12) = ( 0.0000000 0.0000000 0.1018518), wk = 0.0028818 k( 13) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0028818 k( 14) = ( 0.0000000 0.0000000 0.1203704), wk = 0.0028818 k( 15) = ( 0.0000000 0.0000000 0.1296296), wk = 0.0028818 k( 16) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0028818 k( 17) = ( 0.0000000 0.0000000 0.1481481), wk = 0.0028818 k( 18) = ( 0.0000000 0.0000000 0.1574074), wk = 0.0028818 k( 19) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0028818 k( 20) = ( 0.0000000 0.0000000 0.1759259), wk = 0.0028818 k( 21) = ( 0.0000000 0.0000000 0.1851852), wk = 0.0028818 k( 22) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0028818 k( 23) = ( 0.0000000 0.0000000 0.2037037), wk = 0.0028818 k( 24) = ( 0.0000000 0.0000000 0.2129630), wk = 0.0028818 k( 25) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0028818 k( 26) = ( 0.0000000 0.0000000 0.2314815), wk = 0.0028818 k( 27) = ( 0.0000000 0.0000000 0.2407407), wk = 0.0028818 k( 28) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0028818 k( 29) = ( 0.0000000 0.0000000 0.2592593), wk = 0.0028818 k( 30) = ( 0.0000000 0.0000000 0.2685185), wk = 0.0028818 k( 31) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0028818 k( 32) = ( 0.0000000 0.0000000 0.2870370), wk = 0.0028818 k( 33) = ( 0.0000000 0.0000000 0.2962963), wk = 0.0028818 k( 34) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0028818 k( 35) = ( 0.0000000 0.0000000 0.3148148), wk = 0.0028818 k( 36) = ( 0.0000000 0.0000000 0.3240741), wk = 0.0028818 k( 37) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0028818 k( 38) = ( 0.0000000 0.0000000 0.3425926), wk = 0.0028818 k( 39) = ( 0.0000000 0.0000000 0.3518519), wk = 0.0028818 k( 40) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0028818 k( 41) = ( 0.0000000 0.0000000 0.3703704), wk = 0.0028818 k( 42) = ( 0.0000000 0.0000000 0.3796296), wk = 0.0028818 k( 43) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0028818 k( 44) = ( 0.0000000 0.0000000 0.3981481), wk = 0.0028818 k( 45) = ( 0.0000000 0.0000000 0.4074074), wk = 0.0028818 k( 46) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0028818 k( 47) = ( 0.0000000 0.0000000 0.4259259), wk = 0.0028818 k( 48) = ( 0.0000000 0.0000000 0.4351852), wk = 0.0028818 k( 49) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0028818 k( 50) = ( 0.0000000 0.0000000 0.4537037), wk = 0.0028818 k( 51) = ( 0.0000000 0.0000000 0.4629630), wk = 0.0028818 k( 52) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0028818 k( 53) = ( 0.0000000 0.0000000 0.4814815), wk = 0.0028818 k( 54) = ( 0.0000000 0.0000000 0.4907407), wk = 0.0028818 k( 55) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028818 k( 56) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028818 k( 57) = ( -0.0092560 0.0092560 0.5000000), wk = 0.0028818 k( 58) = ( -0.0185120 0.0185120 0.5000000), wk = 0.0028818 k( 59) = ( -0.0277681 0.0277681 0.5000000), wk = 0.0028818 k( 60) = ( -0.0370241 0.0370241 0.5000000), wk = 0.0028818 k( 61) = ( -0.0462801 0.0462801 0.5000000), wk = 0.0028818 k( 62) = ( -0.0555362 0.0555362 0.5000000), wk = 0.0028818 k( 63) = ( -0.0647922 0.0647922 0.5000000), wk = 0.0028818 k( 64) = ( -0.0740482 0.0740482 0.5000000), wk = 0.0028818 k( 65) = ( -0.0833042 0.0833042 0.5000000), wk = 0.0028818 k( 66) = ( -0.0833042 0.0833042 0.5000000), wk = 0.0028818 k( 67) = ( -0.0898151 0.0898151 0.4934891), wk = 0.0028818 k( 68) = ( -0.0963260 0.0963260 0.4869783), wk = 0.0028818 k( 69) = ( -0.1028368 0.1028368 0.4804674), wk = 0.0028818 k( 70) = ( -0.1093477 0.1093477 0.4739565), wk = 0.0028818 k( 71) = ( -0.1158586 0.1158586 0.4674456), wk = 0.0028818 k( 72) = ( -0.1223695 0.1223695 0.4609348), wk = 0.0028818 k( 73) = ( -0.1288803 0.1288803 0.4544239), wk = 0.0028818 k( 74) = ( -0.1353912 0.1353912 0.4479130), wk = 0.0028818 k( 75) = ( -0.1419021 0.1419021 0.4414022), wk = 0.0028818 k( 76) = ( -0.1484129 0.1484129 0.4348913), wk = 0.0028818 k( 77) = ( -0.1549238 0.1549238 0.4283804), wk = 0.0028818 k( 78) = ( -0.1614347 0.1614347 0.4218695), wk = 0.0028818 k( 79) = ( -0.1679456 0.1679456 0.4153587), wk = 0.0028818 k( 80) = ( -0.1744564 0.1744564 0.4088478), wk = 0.0028818 k( 81) = ( -0.1809673 0.1809673 0.4023369), wk = 0.0028818 k( 82) = ( -0.1874782 0.1874782 0.3958261), wk = 0.0028818 k( 83) = ( -0.1939890 0.1939890 0.3893152), wk = 0.0028818 k( 84) = ( -0.2004999 0.2004999 0.3828043), wk = 0.0028818 k( 85) = ( -0.2070108 0.2070108 0.3762934), wk = 0.0028818 k( 86) = ( -0.2135217 0.2135217 0.3697826), wk = 0.0028818 k( 87) = ( -0.2200325 0.2200325 0.3632717), wk = 0.0028818 k( 88) = ( -0.2265434 0.2265434 0.3567608), wk = 0.0028818 k( 89) = ( -0.2330543 0.2330543 0.3502500), wk = 0.0028818 k( 90) = ( -0.2395652 0.2395651 0.3437391), wk = 0.0028818 k( 91) = ( -0.2460760 0.2460760 0.3372282), wk = 0.0028818 k( 92) = ( -0.2525869 0.2525869 0.3307174), wk = 0.0028818 k( 93) = ( -0.2590978 0.2590978 0.3242065), wk = 0.0028818 k( 94) = ( -0.2656086 0.2656086 0.3176956), wk = 0.0028818 k( 95) = ( -0.2721195 0.2721195 0.3111847), wk = 0.0028818 k( 96) = ( -0.2786304 0.2786304 0.3046739), wk = 0.0028818 k( 97) = ( -0.2851413 0.2851412 0.2981630), wk = 0.0028818 k( 98) = ( -0.2916521 0.2916521 0.2916521), wk = 0.0028818 k( 99) = ( -0.2916521 0.2916521 0.2916521), wk = 0.0028818 k( 100) = ( -0.2850237 0.2850237 0.2850237), wk = 0.0028818 k( 101) = ( -0.2783952 0.2783952 0.2783952), wk = 0.0028818 k( 102) = ( -0.2717668 0.2717667 0.2717668), wk = 0.0028818 k( 103) = ( -0.2651383 0.2651383 0.2651383), wk = 0.0028818 k( 104) = ( -0.2585098 0.2585098 0.2585098), wk = 0.0028818 k( 105) = ( -0.2518814 0.2518814 0.2518814), wk = 0.0028818 k( 106) = ( -0.2452529 0.2452529 0.2452529), wk = 0.0028818 k( 107) = ( -0.2386245 0.2386245 0.2386245), wk = 0.0028818 k( 108) = ( -0.2319960 0.2319960 0.2319960), wk = 0.0028818 k( 109) = ( -0.2253675 0.2253675 0.2253676), wk = 0.0028818 k( 110) = ( -0.2187391 0.2187391 0.2187391), wk = 0.0028818 k( 111) = ( -0.2121106 0.2121106 0.2121106), wk = 0.0028818 k( 112) = ( -0.2054822 0.2054822 0.2054822), wk = 0.0028818 k( 113) = ( -0.1988537 0.1988537 0.1988537), wk = 0.0028818 k( 114) = ( -0.1922253 0.1922253 0.1922253), wk = 0.0028818 k( 115) = ( -0.1855968 0.1855968 0.1855968), wk = 0.0028818 k( 116) = ( -0.1789683 0.1789683 0.1789684), wk = 0.0028818 k( 117) = ( -0.1723399 0.1723399 0.1723399), wk = 0.0028818 k( 118) = ( -0.1657114 0.1657114 0.1657114), wk = 0.0028818 k( 119) = ( -0.1590830 0.1590830 0.1590830), wk = 0.0028818 k( 120) = ( -0.1524545 0.1524545 0.1524545), wk = 0.0028818 k( 121) = ( -0.1458261 0.1458261 0.1458261), wk = 0.0028818 k( 122) = ( -0.1391976 0.1391976 0.1391976), wk = 0.0028818 k( 123) = ( -0.1325691 0.1325691 0.1325691), wk = 0.0028818 k( 124) = ( -0.1259407 0.1259407 0.1259407), wk = 0.0028818 k( 125) = ( -0.1193122 0.1193122 0.1193122), wk = 0.0028818 k( 126) = ( -0.1126838 0.1126838 0.1126838), wk = 0.0028818 k( 127) = ( -0.1060553 0.1060553 0.1060553), wk = 0.0028818 k( 128) = ( -0.0994269 0.0994269 0.0994269), wk = 0.0028818 k( 129) = ( -0.0927984 0.0927984 0.0927984), wk = 0.0028818 k( 130) = ( -0.0861699 0.0861699 0.0861699), wk = 0.0028818 k( 131) = ( -0.0795415 0.0795415 0.0795415), wk = 0.0028818 k( 132) = ( -0.0729130 0.0729130 0.0729130), wk = 0.0028818 k( 133) = ( -0.0662846 0.0662846 0.0662846), wk = 0.0028818 k( 134) = ( -0.0596561 0.0596561 0.0596561), wk = 0.0028818 k( 135) = ( -0.0530277 0.0530277 0.0530277), wk = 0.0028818 k( 136) = ( -0.0463992 0.0463992 0.0463992), wk = 0.0028818 k( 137) = ( -0.0397707 0.0397707 0.0397707), wk = 0.0028818 k( 138) = ( -0.0331423 0.0331423 0.0331423), wk = 0.0028818 k( 139) = ( -0.0265138 0.0265138 0.0265138), wk = 0.0028818 k( 140) = ( -0.0198854 0.0198854 0.0198854), wk = 0.0028818 k( 141) = ( -0.0132569 0.0132569 0.0132569), wk = 0.0028818 k( 142) = ( -0.0066285 0.0066285 0.0066285), wk = 0.0028818 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028818 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028818 k( 145) = ( 0.0161290 0.0161290 -0.0161290), wk = 0.0028818 k( 146) = ( 0.0322581 0.0322581 -0.0322581), wk = 0.0028818 k( 147) = ( 0.0483871 0.0483871 -0.0483871), wk = 0.0028818 k( 148) = ( 0.0645161 0.0645161 -0.0645161), wk = 0.0028818 k( 149) = ( 0.0806452 0.0806452 -0.0806452), wk = 0.0028818 k( 150) = ( 0.0967742 0.0967742 -0.0967742), wk = 0.0028818 k( 151) = ( 0.1129032 0.1129032 -0.1129032), wk = 0.0028818 k( 152) = ( 0.1290323 0.1290323 -0.1290323), wk = 0.0028818 k( 153) = ( 0.1451613 0.1451613 -0.1451613), wk = 0.0028818 k( 154) = ( 0.1612903 0.1612903 -0.1612903), wk = 0.0028818 k( 155) = ( 0.1774194 0.1774193 -0.1774193), wk = 0.0028818 k( 156) = ( 0.1935484 0.1935484 -0.1935484), wk = 0.0028818 k( 157) = ( 0.2096774 0.2096774 -0.2096774), wk = 0.0028818 k( 158) = ( 0.2258064 0.2258064 -0.2258064), wk = 0.0028818 k( 159) = ( 0.2419355 0.2419355 -0.2419355), wk = 0.0028818 k( 160) = ( 0.2580645 0.2580645 -0.2580645), wk = 0.0028818 k( 161) = ( 0.2741936 0.2741936 -0.2741936), wk = 0.0028818 k( 162) = ( 0.2903226 0.2903226 -0.2903226), wk = 0.0028818 k( 163) = ( 0.3064516 0.3064516 -0.3064516), wk = 0.0028818 k( 164) = ( 0.3225807 0.3225807 -0.3225807), wk = 0.0028818 k( 165) = ( 0.3387097 0.3387097 -0.3387097), wk = 0.0028818 k( 166) = ( 0.3548387 0.3548387 -0.3548387), wk = 0.0028818 k( 167) = ( 0.3709677 0.3709677 -0.3709677), wk = 0.0028818 k( 168) = ( 0.3870968 0.3870968 -0.3870968), wk = 0.0028818 k( 169) = ( 0.4032258 0.4032258 -0.4032258), wk = 0.0028818 k( 170) = ( 0.4193548 0.4193548 -0.4193548), wk = 0.0028818 k( 171) = ( 0.4354839 0.4354839 -0.4354839), wk = 0.0028818 k( 172) = ( 0.4516129 0.4516129 -0.4516129), wk = 0.0028818 k( 173) = ( 0.4677419 0.4677419 -0.4677419), wk = 0.0028818 k( 174) = ( 0.4838710 0.4838710 -0.4838710), wk = 0.0028818 k( 175) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0028818 k( 176) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0028818 k( 177) = ( 0.4934891 0.5065109 -0.4934891), wk = 0.0028818 k( 178) = ( 0.4869783 0.5130217 -0.4869783), wk = 0.0028818 k( 179) = ( 0.4804674 0.5195326 -0.4804674), wk = 0.0028818 k( 180) = ( 0.4739565 0.5260435 -0.4739565), wk = 0.0028818 k( 181) = ( 0.4674456 0.5325544 -0.4674456), wk = 0.0028818 k( 182) = ( 0.4609348 0.5390652 -0.4609348), wk = 0.0028818 k( 183) = ( 0.4544239 0.5455761 -0.4544239), wk = 0.0028818 k( 184) = ( 0.4479130 0.5520870 -0.4479130), wk = 0.0028818 k( 185) = ( 0.4414022 0.5585978 -0.4414022), wk = 0.0028818 k( 186) = ( 0.4348913 0.5651087 -0.4348913), wk = 0.0028818 k( 187) = ( 0.4283804 0.5716196 -0.4283804), wk = 0.0028818 k( 188) = ( 0.4218695 0.5781305 -0.4218695), wk = 0.0028818 k( 189) = ( 0.4153587 0.5846413 -0.4153587), wk = 0.0028818 k( 190) = ( 0.4088478 0.5911522 -0.4088478), wk = 0.0028818 k( 191) = ( 0.4023369 0.5976631 -0.4023369), wk = 0.0028818 k( 192) = ( 0.3958261 0.6041739 -0.3958261), wk = 0.0028818 k( 193) = ( 0.3893152 0.6106848 -0.3893152), wk = 0.0028818 k( 194) = ( 0.3828043 0.6171957 -0.3828043), wk = 0.0028818 k( 195) = ( 0.3762934 0.6237065 -0.3762934), wk = 0.0028818 k( 196) = ( 0.3697826 0.6302174 -0.3697826), wk = 0.0028818 k( 197) = ( 0.3632717 0.6367283 -0.3632717), wk = 0.0028818 k( 198) = ( 0.3567608 0.6432392 -0.3567608), wk = 0.0028818 k( 199) = ( 0.3502500 0.6497500 -0.3502500), wk = 0.0028818 k( 200) = ( 0.3437391 0.6562609 -0.3437391), wk = 0.0028818 k( 201) = ( 0.3372282 0.6627718 -0.3372282), wk = 0.0028818 k( 202) = ( 0.3307174 0.6692826 -0.3307174), wk = 0.0028818 k( 203) = ( 0.3242065 0.6757935 -0.3242065), wk = 0.0028818 k( 204) = ( 0.3176956 0.6823044 -0.3176956), wk = 0.0028818 k( 205) = ( 0.3111847 0.6888153 -0.3111847), wk = 0.0028818 k( 206) = ( 0.3046739 0.6953261 -0.3046739), wk = 0.0028818 k( 207) = ( 0.2981630 0.7018370 -0.2981630), wk = 0.0028818 k( 208) = ( 0.2916521 0.7083479 -0.2916521), wk = 0.0028818 k( 209) = ( 0.2916521 0.7083479 -0.2916521), wk = 0.0028818 k( 210) = ( 0.2744961 0.6960921 -0.2744961), wk = 0.0028818 k( 211) = ( 0.2573401 0.6838364 -0.2573401), wk = 0.0028818 k( 212) = ( 0.2401841 0.6715806 -0.2401841), wk = 0.0028818 k( 213) = ( 0.2230281 0.6593248 -0.2230281), wk = 0.0028818 k( 214) = ( 0.2058721 0.6470691 -0.2058721), wk = 0.0028818 k( 215) = ( 0.1887161 0.6348133 -0.1887161), wk = 0.0028818 k( 216) = ( 0.1715601 0.6225576 -0.1715601), wk = 0.0028818 k( 217) = ( 0.1544041 0.6103018 -0.1544041), wk = 0.0028818 k( 218) = ( 0.1372481 0.5980461 -0.1372481), wk = 0.0028818 k( 219) = ( 0.1200921 0.5857903 -0.1200921), wk = 0.0028818 k( 220) = ( 0.1029360 0.5735345 -0.1029360), wk = 0.0028818 k( 221) = ( 0.0857800 0.5612788 -0.0857800), wk = 0.0028818 k( 222) = ( 0.0686240 0.5490230 -0.0686240), wk = 0.0028818 k( 223) = ( 0.0514680 0.5367673 -0.0514680), wk = 0.0028818 k( 224) = ( 0.0343120 0.5245115 -0.0343120), wk = 0.0028818 k( 225) = ( 0.0171560 0.5122558 -0.0171560), wk = 0.0028818 k( 226) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028818 k( 227) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028818 k( 228) = ( 0.0065790 0.4934210 0.0065790), wk = 0.0028818 k( 229) = ( 0.0131579 0.4868421 0.0131579), wk = 0.0028818 k( 230) = ( 0.0197368 0.4802632 0.0197368), wk = 0.0028818 k( 231) = ( 0.0263158 0.4736842 0.0263158), wk = 0.0028818 k( 232) = ( 0.0328947 0.4671053 0.0328947), wk = 0.0028818 k( 233) = ( 0.0394737 0.4605263 0.0394737), wk = 0.0028818 k( 234) = ( 0.0460526 0.4539474 0.0460526), wk = 0.0028818 k( 235) = ( 0.0526316 0.4473684 0.0526316), wk = 0.0028818 k( 236) = ( 0.0592105 0.4407895 0.0592105), wk = 0.0028818 k( 237) = ( 0.0657895 0.4342105 0.0657895), wk = 0.0028818 k( 238) = ( 0.0723684 0.4276316 0.0723684), wk = 0.0028818 k( 239) = ( 0.0789474 0.4210526 0.0789474), wk = 0.0028818 k( 240) = ( 0.0855263 0.4144737 0.0855263), wk = 0.0028818 k( 241) = ( 0.0921053 0.4078947 0.0921053), wk = 0.0028818 k( 242) = ( 0.0986842 0.4013158 0.0986842), wk = 0.0028818 k( 243) = ( 0.1052632 0.3947368 0.1052632), wk = 0.0028818 k( 244) = ( 0.1118421 0.3881579 0.1118421), wk = 0.0028818 k( 245) = ( 0.1184210 0.3815789 0.1184210), wk = 0.0028818 k( 246) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0028818 k( 247) = ( 0.1315790 0.3684211 0.1315790), wk = 0.0028818 k( 248) = ( 0.1381579 0.3618421 0.1381579), wk = 0.0028818 k( 249) = ( 0.1447368 0.3552632 0.1447368), wk = 0.0028818 k( 250) = ( 0.1513158 0.3486842 0.1513158), wk = 0.0028818 k( 251) = ( 0.1578947 0.3421053 0.1578947), wk = 0.0028818 k( 252) = ( 0.1644737 0.3355263 0.1644737), wk = 0.0028818 k( 253) = ( 0.1710526 0.3289474 0.1710526), wk = 0.0028818 k( 254) = ( 0.1776316 0.3223684 0.1776316), wk = 0.0028818 k( 255) = ( 0.1842105 0.3157895 0.1842105), wk = 0.0028818 k( 256) = ( 0.1907895 0.3092105 0.1907895), wk = 0.0028818 k( 257) = ( 0.1973684 0.3026316 0.1973684), wk = 0.0028818 k( 258) = ( 0.2039474 0.2960526 0.2039474), wk = 0.0028818 k( 259) = ( 0.2105263 0.2894737 0.2105263), wk = 0.0028818 k( 260) = ( 0.2171053 0.2828947 0.2171053), wk = 0.0028818 k( 261) = ( 0.2236842 0.2763158 0.2236842), wk = 0.0028818 k( 262) = ( 0.2302632 0.2697368 0.2302632), wk = 0.0028818 k( 263) = ( 0.2368421 0.2631579 0.2368421), wk = 0.0028818 k( 264) = ( 0.2434210 0.2565789 0.2434210), wk = 0.0028818 k( 265) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028818 k( 266) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028818 k( 267) = ( 0.2638889 0.2638889 0.2314831), wk = 0.0028818 k( 268) = ( 0.2777778 0.2777778 0.2129662), wk = 0.0028818 k( 269) = ( 0.2916667 0.2916667 0.1944493), wk = 0.0028818 k( 270) = ( 0.3055556 0.3055556 0.1759324), wk = 0.0028818 k( 271) = ( 0.3194444 0.3194444 0.1574155), wk = 0.0028818 k( 272) = ( 0.3333333 0.3333333 0.1388986), wk = 0.0028818 k( 273) = ( 0.3472222 0.3472222 0.1203817), wk = 0.0028818 k( 274) = ( 0.3611111 0.3611111 0.1018648), wk = 0.0028818 k( 275) = ( 0.3750000 0.3750000 0.0833479), wk = 0.0028818 k( 276) = ( 0.3888889 0.3888889 0.0648310), wk = 0.0028818 k( 277) = ( 0.4027778 0.4027778 0.0463141), wk = 0.0028818 k( 278) = ( 0.4166667 0.4166667 0.0277972), wk = 0.0028818 k( 279) = ( 0.4305556 0.4305556 0.0092803), wk = 0.0028818 k( 280) = ( 0.4444444 0.4444444 -0.0092366), wk = 0.0028818 k( 281) = ( 0.4583333 0.4583333 -0.0277535), wk = 0.0028818 k( 282) = ( 0.4722222 0.4722222 -0.0462704), wk = 0.0028818 k( 283) = ( 0.4861111 0.4861111 -0.0647873), wk = 0.0028818 k( 284) = ( 0.5000000 0.5000000 -0.0833042), wk = 0.0028818 k( 285) = ( 0.5000000 0.5000000 -0.0833042), wk = 0.0028818 k( 286) = ( 0.5000000 0.5000000 -0.0925641), wk = 0.0028818 k( 287) = ( 0.5000000 0.5000000 -0.1018240), wk = 0.0028818 k( 288) = ( 0.5000000 0.5000000 -0.1110840), wk = 0.0028818 k( 289) = ( 0.5000000 0.5000000 -0.1203439), wk = 0.0028818 k( 290) = ( 0.5000000 0.5000000 -0.1296038), wk = 0.0028818 k( 291) = ( 0.5000000 0.5000000 -0.1388637), wk = 0.0028818 k( 292) = ( 0.5000000 0.5000000 -0.1481236), wk = 0.0028818 k( 293) = ( 0.5000000 0.5000000 -0.1573835), wk = 0.0028818 k( 294) = ( 0.5000000 0.5000000 -0.1666434), wk = 0.0028818 k( 295) = ( 0.5000000 0.5000000 -0.1759033), wk = 0.0028818 k( 296) = ( 0.5000000 0.5000000 -0.1851632), wk = 0.0028818 k( 297) = ( 0.5000000 0.5000000 -0.1944231), wk = 0.0028818 k( 298) = ( 0.5000000 0.5000000 -0.2036830), wk = 0.0028818 k( 299) = ( 0.5000000 0.5000000 -0.2129429), wk = 0.0028818 k( 300) = ( 0.5000000 0.5000000 -0.2222028), wk = 0.0028818 k( 301) = ( 0.5000000 0.5000000 -0.2314627), wk = 0.0028818 k( 302) = ( 0.5000000 0.5000000 -0.2407226), wk = 0.0028818 k( 303) = ( 0.5000000 0.5000000 -0.2499825), wk = 0.0028818 k( 304) = ( 0.5000000 0.5000000 -0.2592424), wk = 0.0028818 k( 305) = ( 0.5000000 0.5000000 -0.2685023), wk = 0.0028818 k( 306) = ( 0.5000000 0.5000000 -0.2777623), wk = 0.0028818 k( 307) = ( 0.5000000 0.5000000 -0.2870222), wk = 0.0028818 k( 308) = ( 0.5000000 0.5000000 -0.2962821), wk = 0.0028818 k( 309) = ( 0.5000000 0.5000000 -0.3055420), wk = 0.0028818 k( 310) = ( 0.5000000 0.5000000 -0.3148019), wk = 0.0028818 k( 311) = ( 0.5000000 0.5000000 -0.3240618), wk = 0.0028818 k( 312) = ( 0.5000000 0.5000000 -0.3333217), wk = 0.0028818 k( 313) = ( 0.5000000 0.5000000 -0.3425816), wk = 0.0028818 k( 314) = ( 0.5000000 0.5000000 -0.3518415), wk = 0.0028818 k( 315) = ( 0.5000000 0.5000000 -0.3611014), wk = 0.0028818 k( 316) = ( 0.5000000 0.5000000 -0.3703613), wk = 0.0028818 k( 317) = ( 0.5000000 0.5000000 -0.3796212), wk = 0.0028818 k( 318) = ( 0.5000000 0.5000000 -0.3888811), wk = 0.0028818 k( 319) = ( 0.5000000 0.5000000 -0.3981410), wk = 0.0028818 k( 320) = ( 0.5000000 0.5000000 -0.4074009), wk = 0.0028818 k( 321) = ( 0.5000000 0.5000000 -0.4166608), wk = 0.0028818 k( 322) = ( 0.5000000 0.5000000 -0.4259207), wk = 0.0028818 k( 323) = ( 0.5000000 0.5000000 -0.4351807), wk = 0.0028818 k( 324) = ( 0.5000000 0.5000000 -0.4444406), wk = 0.0028818 k( 325) = ( 0.5000000 0.5000000 -0.4537005), wk = 0.0028818 k( 326) = ( 0.5000000 0.5000000 -0.4629604), wk = 0.0028818 k( 327) = ( 0.5000000 0.5000000 -0.4722203), wk = 0.0028818 k( 328) = ( 0.5000000 0.5000000 -0.4814802), wk = 0.0028818 k( 329) = ( 0.5000000 0.5000000 -0.4907401), wk = 0.0028818 k( 330) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0028818 k( 331) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028818 k( 332) = ( 0.0156250 0.0156250 0.4843750), wk = 0.0028818 k( 333) = ( 0.0312500 0.0312500 0.4687500), wk = 0.0028818 k( 334) = ( 0.0468750 0.0468750 0.4531250), wk = 0.0028818 k( 335) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0028818 k( 336) = ( 0.0781250 0.0781250 0.4218750), wk = 0.0028818 k( 337) = ( 0.0937500 0.0937500 0.4062500), wk = 0.0028818 k( 338) = ( 0.1093750 0.1093750 0.3906250), wk = 0.0028818 k( 339) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0028818 k( 340) = ( 0.1406250 0.1406250 0.3593750), wk = 0.0028818 k( 341) = ( 0.1562500 0.1562500 0.3437500), wk = 0.0028818 k( 342) = ( 0.1718750 0.1718750 0.3281250), wk = 0.0028818 k( 343) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0028818 k( 344) = ( 0.2031250 0.2031250 0.2968750), wk = 0.0028818 k( 345) = ( 0.2187500 0.2187500 0.2812500), wk = 0.0028818 k( 346) = ( 0.2343750 0.2343750 0.2656250), wk = 0.0028818 k( 347) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028818 Dense grid: 43441 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 22115 G-vectors FFT dimensions: ( 48, 48, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.11 Mb ( 162, 46) NL pseudopotentials 0.16 Mb ( 81, 130) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1208) G-vector shells 0.00 Mb ( 566) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.45 Mb ( 162, 184) Each subspace H/S matrix 0.03 Mb ( 46, 46) Each matrix 0.18 Mb ( 130, 2, 46) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./SrxNiGex2.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.1 secs Computing kpt #: 2 total cpu time spent up to now is 3.5 secs Computing kpt #: 3 total cpu time spent up to now is 3.9 secs Computing kpt #: 4 total cpu time spent up to now is 4.3 secs Computing kpt #: 5 total cpu time spent up to now is 4.8 secs Computing kpt #: 6 total cpu time spent up to now is 5.2 secs Computing kpt #: 7 total cpu time spent up to now is 5.6 secs Computing kpt #: 8 total cpu time spent up to now is 6.0 secs Computing kpt #: 9 total cpu time spent up to now is 6.4 secs Computing kpt #: 10 total cpu time spent up to now is 6.9 secs Computing kpt #: 11 total cpu time spent up to now is 7.3 secs Computing kpt #: 12 total cpu time spent up to now is 7.7 secs Computing kpt #: 13 total cpu time spent up to now is 8.1 secs Computing kpt #: 14 total cpu time spent up to now is 8.6 secs Computing kpt #: 15 total cpu time spent up to now is 9.0 secs Computing kpt #: 16 total cpu time spent up to now is 9.4 secs Computing kpt #: 17 total cpu time spent up to now is 9.8 secs Computing kpt #: 18 total cpu time spent up to now is 10.3 secs Computing kpt #: 19 total cpu time spent up to now is 10.7 secs Computing kpt #: 20 total cpu time spent up to now is 11.1 secs Computing kpt #: 21 total cpu time spent up to now is 11.6 secs Computing kpt #: 22 total cpu time spent up to now is 12.0 secs Computing kpt #: 23 total cpu time spent up to now is 12.5 secs Computing kpt #: 24 total cpu time spent up to now is 13.0 secs Computing kpt #: 25 total cpu time spent up to now is 13.5 secs Computing kpt #: 26 total cpu time spent up to now is 14.0 secs Computing kpt #: 27 total cpu time spent up to now is 14.9 secs Computing kpt #: 28 total cpu time spent up to now is 15.4 secs Computing kpt #: 29 total cpu time spent up to now is 15.9 secs Computing kpt #: 30 total cpu time spent up to now is 16.3 secs Computing kpt #: 31 total cpu time spent up to now is 16.8 secs Computing kpt #: 32 total cpu time spent up to now is 17.2 secs Computing kpt #: 33 total cpu time spent up to now is 17.6 secs Computing kpt #: 34 total cpu time spent up to now is 18.1 secs Computing kpt #: 35 total cpu time spent up to now is 18.5 secs Computing kpt #: 36 total cpu time spent up to now is 18.9 secs Computing kpt #: 37 total cpu time spent up to now is 19.4 secs Computing kpt #: 38 total cpu time spent up to now is 19.8 secs Computing kpt #: 39 total cpu time spent up to now is 20.2 secs Computing kpt #: 40 total cpu time spent up to now is 20.6 secs Computing kpt #: 41 total cpu time spent up to now is 21.0 secs Computing kpt #: 42 total cpu time spent up to now is 21.4 secs Computing kpt #: 43 total cpu time spent up to now is 21.9 secs Computing kpt #: 44 total cpu time spent up to now is 22.3 secs Computing kpt #: 45 total cpu time spent up to now is 22.7 secs Computing kpt #: 46 total cpu time spent up to now is 23.1 secs Computing kpt #: 47 total cpu time spent up to now is 23.6 secs Computing kpt #: 48 total cpu time spent up to now is 24.0 secs Computing kpt #: 49 total cpu time spent up to now is 24.4 secs Computing kpt #: 50 total cpu time spent up to now is 24.9 secs Computing kpt #: 51 total cpu time spent up to now is 25.3 secs Computing kpt #: 52 total cpu time spent up to now is 25.7 secs Computing kpt #: 53 total cpu time spent up to now is 26.2 secs Computing kpt #: 54 total cpu time spent up to now is 26.6 secs Computing kpt #: 55 total cpu time spent up to now is 27.1 secs Computing kpt #: 56 total cpu time spent up to now is 27.6 secs Computing kpt #: 57 total cpu time spent up to now is 28.0 secs Computing kpt #: 58 total cpu time spent up to now is 28.4 secs Computing kpt #: 59 total cpu time spent up to now is 28.9 secs Computing kpt #: 60 total cpu time spent up to now is 29.4 secs Computing kpt #: 61 total cpu time spent up to now is 29.9 secs Computing kpt #: 62 total cpu time spent up to now is 30.4 secs Computing kpt #: 63 total cpu time spent up to now is 30.9 secs Computing kpt #: 64 total cpu time spent up to now is 31.4 secs Computing kpt #: 65 total cpu time spent up to now is 32.0 secs Computing kpt #: 66 total cpu time spent up to now is 32.5 secs Computing kpt #: 67 total cpu time spent up to now is 33.0 secs Computing kpt #: 68 total cpu time spent up to now is 33.5 secs Computing kpt #: 69 total cpu time spent up to now is 33.9 secs Computing kpt #: 70 total cpu time spent up to now is 34.4 secs Computing kpt #: 71 total cpu time spent up to now is 34.9 secs Computing kpt #: 72 total cpu time spent up to now is 35.3 secs Computing kpt #: 73 total cpu time spent up to now is 35.8 secs Computing kpt #: 74 total cpu time spent up to now is 36.2 secs Computing kpt #: 75 total cpu time spent up to now is 36.7 secs Computing kpt #: 76 total cpu time spent up to now is 37.1 secs Computing kpt #: 77 total cpu time spent up to now is 37.5 secs Computing kpt #: 78 total cpu time spent up to now is 38.0 secs Computing kpt #: 79 total cpu time spent up to now is 38.4 secs Computing kpt #: 80 total cpu time spent up to now is 38.8 secs Computing kpt #: 81 total cpu time spent up to now is 39.3 secs Computing kpt #: 82 total cpu time spent up to now is 39.7 secs Computing kpt #: 83 total cpu time spent up to now is 40.2 secs Computing kpt #: 84 total cpu time spent up to now is 40.7 secs Computing kpt #: 85 total cpu time spent up to now is 41.2 secs Computing kpt #: 86 total cpu time spent up to now is 41.8 secs Computing kpt #: 87 total cpu time spent up to now is 42.4 secs Computing kpt #: 88 total cpu time spent up to now is 43.1 secs Computing kpt #: 89 total cpu time spent up to now is 43.7 secs Computing kpt #: 90 total cpu time spent up to now is 44.3 secs Computing kpt #: 91 total cpu time spent up to now is 45.0 secs Computing kpt #: 92 total cpu time spent up to now is 45.8 secs Computing kpt #: 93 total cpu time spent up to now is 46.4 secs Computing kpt #: 94 total cpu time spent up to now is 47.0 secs Computing kpt #: 95 total cpu time spent up to now is 47.5 secs Computing kpt #: 96 total cpu time spent up to now is 48.1 secs Computing kpt #: 97 total cpu time spent up to now is 48.6 secs Computing kpt #: 98 total cpu time spent up to now is 49.1 secs Computing kpt #: 99 total cpu time spent up to now is 49.7 secs Computing kpt #: 100 total cpu time spent up to now is 50.2 secs Computing kpt #: 101 total cpu time spent up to now is 50.7 secs Computing kpt #: 102 total cpu time spent up to now is 51.1 secs Computing kpt #: 103 total cpu time spent up to now is 51.5 secs Computing kpt #: 104 total cpu time spent up to now is 51.9 secs Computing kpt #: 105 total cpu time spent up to now is 52.4 secs Computing kpt #: 106 total cpu time spent up to now is 52.8 secs Computing kpt #: 107 total cpu time spent up to now is 53.2 secs Computing kpt #: 108 total cpu time spent up to now is 53.6 secs Computing kpt #: 109 total cpu time spent up to now is 54.0 secs Computing kpt #: 110 total cpu time spent up to now is 54.5 secs Computing kpt #: 111 total cpu time spent up to now is 54.9 secs Computing kpt #: 112 total cpu time spent up to now is 55.3 secs Computing kpt #: 113 total cpu time spent up to now is 55.7 secs Computing kpt #: 114 total cpu time spent up to now is 56.1 secs Computing kpt #: 115 total cpu time spent up to now is 56.6 secs Computing kpt #: 116 total cpu time spent up to now is 57.0 secs Computing kpt #: 117 total cpu time spent up to now is 57.4 secs Computing kpt #: 118 total cpu time spent up to now is 57.8 secs Computing kpt #: 119 total cpu time spent up to now is 58.2 secs Computing kpt #: 120 total cpu time spent up to now is 58.6 secs Computing kpt #: 121 total cpu time spent up to now is 59.0 secs Computing kpt #: 122 total cpu time spent up to now is 59.4 secs Computing kpt #: 123 total cpu time spent up to now is 59.9 secs Computing kpt #: 124 total cpu time spent up to now is 60.3 secs Computing kpt #: 125 total cpu time spent up to now is 60.7 secs Computing kpt #: 126 total cpu time spent up to now is 61.1 secs Computing kpt #: 127 total cpu time spent up to now is 61.5 secs Computing kpt #: 128 total cpu time spent up to now is 61.9 secs Computing kpt #: 129 total cpu time spent up to now is 62.4 secs Computing kpt #: 130 total cpu time spent up to now is 62.8 secs Computing kpt #: 131 total cpu time spent up to now is 63.2 secs Computing kpt #: 132 total cpu time spent up to now is 63.6 secs Computing kpt #: 133 total cpu time spent up to now is 64.0 secs Computing kpt #: 134 total cpu time spent up to now is 64.5 secs Computing kpt #: 135 total cpu time spent up to now is 64.9 secs Computing kpt #: 136 total cpu time spent up to now is 65.3 secs Computing kpt #: 137 total cpu time spent up to now is 65.7 secs Computing kpt #: 138 total cpu time spent up to now is 66.2 secs Computing kpt #: 139 total cpu time spent up to now is 66.6 secs Computing kpt #: 140 total cpu time spent up to now is 67.0 secs Computing kpt #: 141 total cpu time spent up to now is 67.4 secs Computing kpt #: 142 total cpu time spent up to now is 67.8 secs Computing kpt #: 143 total cpu time spent up to now is 68.2 secs Computing kpt #: 144 total cpu time spent up to now is 68.7 secs Computing kpt #: 145 total cpu time spent up to now is 69.1 secs Computing kpt #: 146 total cpu time spent up to now is 69.6 secs Computing kpt #: 147 total cpu time spent up to now is 70.0 secs Computing kpt #: 148 total cpu time spent up to now is 70.5 secs Computing kpt #: 149 total cpu time spent up to now is 70.9 secs Computing kpt #: 150 total cpu time spent up to now is 71.4 secs Computing kpt #: 151 total cpu time spent up to now is 71.9 secs Computing kpt #: 152 total cpu time spent up to now is 72.3 secs Computing kpt #: 153 total cpu time spent up to now is 72.7 secs Computing kpt #: 154 total cpu time spent up to now is 73.1 secs Computing kpt #: 155 total cpu time spent up to now is 73.6 secs Computing kpt #: 156 total cpu time spent up to now is 74.0 secs Computing kpt #: 157 total cpu time spent up to now is 74.4 secs Computing kpt #: 158 total cpu time spent up to now is 74.8 secs Computing kpt #: 159 total cpu time spent up to now is 75.2 secs Computing kpt #: 160 total cpu time spent up to now is 75.7 secs Computing kpt #: 161 total cpu time spent up to now is 76.1 secs Computing kpt #: 162 total cpu time spent up to now is 76.5 secs Computing kpt #: 163 total cpu time spent up to now is 76.9 secs Computing kpt #: 164 total cpu time spent up to now is 77.3 secs Computing kpt #: 165 total cpu time spent up to now is 77.7 secs Computing kpt #: 166 total cpu time spent up to now is 78.2 secs Computing kpt #: 167 total cpu time spent up to now is 78.6 secs Computing kpt #: 168 total cpu time spent up to now is 79.1 secs Computing kpt #: 169 total cpu time spent up to now is 79.6 secs Computing kpt #: 170 total cpu time spent up to now is 80.1 secs Computing kpt #: 171 total cpu time spent up to now is 80.6 secs Computing kpt #: 172 total cpu time spent up to now is 81.2 secs Computing kpt #: 173 total cpu time spent up to now is 81.7 secs Computing kpt #: 174 total cpu time spent up to now is 82.2 secs Computing kpt #: 175 total cpu time spent up to now is 82.7 secs Computing kpt #: 176 total cpu time spent up to now is 83.2 secs Computing kpt #: 177 total cpu time spent up to now is 83.7 secs Computing kpt #: 178 total cpu time spent up to now is 84.2 secs Computing kpt #: 179 total cpu time spent up to now is 84.7 secs Computing kpt #: 180 total cpu time spent up to now is 85.1 secs Computing kpt #: 181 total cpu time spent up to now is 85.7 secs Computing kpt #: 182 total cpu time spent up to now is 86.2 secs Computing kpt #: 183 total cpu time spent up to now is 86.9 secs Computing kpt #: 184 total cpu time spent up to now is 87.6 secs Computing kpt #: 185 total cpu time spent up to now is 88.3 secs Computing kpt #: 186 total cpu time spent up to now is 89.0 secs Computing kpt #: 187 total cpu time spent up to now is 89.8 secs Computing kpt #: 188 total cpu time spent up to now is 90.3 secs Computing kpt #: 189 total cpu time spent up to now is 90.9 secs Computing kpt #: 190 total cpu time spent up to now is 91.4 secs Computing kpt #: 191 total cpu time spent up to now is 91.9 secs Computing kpt #: 192 total cpu time spent up to now is 92.4 secs Computing kpt #: 193 total cpu time spent up to now is 92.9 secs Computing kpt #: 194 total cpu time spent up to now is 93.4 secs Computing kpt #: 195 total cpu time spent up to now is 94.0 secs Computing kpt #: 196 total cpu time spent up to now is 94.5 secs Computing kpt #: 197 total cpu time spent up to now is 95.0 secs Computing kpt #: 198 total cpu time spent up to now is 95.5 secs Computing kpt #: 199 total cpu time spent up to now is 96.0 secs Computing kpt #: 200 total cpu time spent up to now is 96.6 secs Computing kpt #: 201 total cpu time spent up to now is 97.1 secs Computing kpt #: 202 total cpu time spent up to now is 97.7 secs Computing kpt #: 203 total cpu time spent up to now is 98.4 secs Computing kpt #: 204 total cpu time spent up to now is 99.0 secs Computing kpt #: 205 total cpu time spent up to now is 99.6 secs Computing kpt #: 206 total cpu time spent up to now is 100.2 secs Computing kpt #: 207 total cpu time spent up to now is 100.7 secs Computing kpt #: 208 total cpu time spent up to now is 101.2 secs Computing kpt #: 209 total cpu time spent up to now is 101.8 secs Computing kpt #: 210 total cpu time spent up to now is 102.3 secs Computing kpt #: 211 total cpu time spent up to now is 102.9 secs Computing kpt #: 212 total cpu time spent up to now is 103.6 secs Computing kpt #: 213 total cpu time spent up to now is 104.1 secs Computing kpt #: 214 total cpu time spent up to now is 104.9 secs Computing kpt #: 215 total cpu time spent up to now is 106.1 secs Computing kpt #: 216 total cpu time spent up to now is 106.7 secs Computing kpt #: 217 total cpu time spent up to now is 107.3 secs Computing kpt #: 218 total cpu time spent up to now is 107.9 secs Computing kpt #: 219 total cpu time spent up to now is 108.4 secs Computing kpt #: 220 total cpu time spent up to now is 108.9 secs Computing kpt #: 221 total cpu time spent up to now is 109.5 secs Computing kpt #: 222 total cpu time spent up to now is 110.0 secs Computing kpt #: 223 total cpu time spent up to now is 110.5 secs Computing kpt #: 224 total cpu time spent up to now is 110.9 secs Computing kpt #: 225 total cpu time spent up to now is 111.4 secs Computing kpt #: 226 total cpu time spent up to now is 111.8 secs Computing kpt #: 227 total cpu time spent up to now is 112.3 secs Computing kpt #: 228 total cpu time spent up to now is 112.7 secs Computing kpt #: 229 total cpu time spent up to now is 113.2 secs Computing kpt #: 230 total cpu time spent up to now is 113.7 secs Computing kpt #: 231 total cpu time spent up to now is 114.4 secs Computing kpt #: 232 total cpu time spent up to now is 115.2 secs Computing kpt #: 233 total cpu time spent up to now is 116.0 secs Computing kpt #: 234 total cpu time spent up to now is 116.7 secs Computing kpt #: 235 total cpu time spent up to now is 117.3 secs Computing kpt #: 236 total cpu time spent up to now is 117.8 secs Computing kpt #: 237 total cpu time spent up to now is 118.3 secs Computing kpt #: 238 total cpu time spent up to now is 118.8 secs Computing kpt #: 239 total cpu time spent up to now is 119.3 secs Computing kpt #: 240 total cpu time spent up to now is 119.8 secs Computing kpt #: 241 total cpu time spent up to now is 120.2 secs Computing kpt #: 242 total cpu time spent up to now is 120.8 secs Computing kpt #: 243 total cpu time spent up to now is 121.2 secs Computing kpt #: 244 total cpu time spent up to now is 121.8 secs Computing kpt #: 245 total cpu time spent up to now is 122.3 secs Computing kpt #: 246 total cpu time spent up to now is 122.8 secs Computing kpt #: 247 total cpu time spent up to now is 123.2 secs Computing kpt #: 248 total cpu time spent up to now is 123.7 secs Computing kpt #: 249 total cpu time spent up to now is 124.1 secs Computing kpt #: 250 total cpu time spent up to now is 124.6 secs Computing kpt #: 251 total cpu time spent up to now is 125.0 secs Computing kpt #: 252 total cpu time spent up to now is 125.4 secs Computing kpt #: 253 total cpu time spent up to now is 125.9 secs Computing kpt #: 254 total cpu time spent up to now is 126.3 secs Computing kpt #: 255 total cpu time spent up to now is 126.8 secs Computing kpt #: 256 total cpu time spent up to now is 127.2 secs Computing kpt #: 257 total cpu time spent up to now is 127.6 secs Computing kpt #: 258 total cpu time spent up to now is 128.1 secs Computing kpt #: 259 total cpu time spent up to now is 128.5 secs Computing kpt #: 260 total cpu time spent up to now is 129.0 secs Computing kpt #: 261 total cpu time spent up to now is 129.5 secs Computing kpt #: 262 total cpu time spent up to now is 130.0 secs Computing kpt #: 263 total cpu time spent up to now is 130.5 secs Computing kpt #: 264 total cpu time spent up to now is 131.3 secs Computing kpt #: 265 total cpu time spent up to now is 132.2 secs Computing kpt #: 266 total cpu time spent up to now is 133.1 secs Computing kpt #: 267 total cpu time spent up to now is 133.8 secs Computing kpt #: 268 total cpu time spent up to now is 134.4 secs Computing kpt #: 269 total cpu time spent up to now is 135.0 secs Computing kpt #: 270 total cpu time spent up to now is 135.5 secs Computing kpt #: 271 total cpu time spent up to now is 136.1 secs Computing kpt #: 272 total cpu time spent up to now is 136.7 secs Computing kpt #: 273 total cpu time spent up to now is 137.2 secs Computing kpt #: 274 total cpu time spent up to now is 137.8 secs Computing kpt #: 275 total cpu time spent up to now is 138.3 secs Computing kpt #: 276 total cpu time spent up to now is 138.8 secs Computing kpt #: 277 total cpu time spent up to now is 139.4 secs Computing kpt #: 278 total cpu time spent up to now is 139.9 secs Computing kpt #: 279 total cpu time spent up to now is 140.4 secs Computing kpt #: 280 total cpu time spent up to now is 140.9 secs Computing kpt #: 281 total cpu time spent up to now is 141.4 secs Computing kpt #: 282 total cpu time spent up to now is 141.9 secs Computing kpt #: 283 total cpu time spent up to now is 142.4 secs Computing kpt #: 284 total cpu time spent up to now is 142.9 secs Computing kpt #: 285 total cpu time spent up to now is 143.4 secs Computing kpt #: 286 total cpu time spent up to now is 143.9 secs Computing kpt #: 287 total cpu time spent up to now is 144.4 secs Computing kpt #: 288 total cpu time spent up to now is 145.0 secs Computing kpt #: 289 total cpu time spent up to now is 145.5 secs Computing kpt #: 290 total cpu time spent up to now is 145.9 secs Computing kpt #: 291 total cpu time spent up to now is 146.4 secs Computing kpt #: 292 total cpu time spent up to now is 147.0 secs Computing kpt #: 293 total cpu time spent up to now is 147.4 secs Computing kpt #: 294 total cpu time spent up to now is 147.9 secs Computing kpt #: 295 total cpu time spent up to now is 148.4 secs Computing kpt #: 296 total cpu time spent up to now is 148.9 secs Computing kpt #: 297 total cpu time spent up to now is 149.3 secs Computing kpt #: 298 total cpu time spent up to now is 149.8 secs Computing kpt #: 299 total cpu time spent up to now is 150.2 secs Computing kpt #: 300 total cpu time spent up to now is 150.7 secs Computing kpt #: 301 total cpu time spent up to now is 151.2 secs Computing kpt #: 302 total cpu time spent up to now is 151.7 secs Computing kpt #: 303 total cpu time spent up to now is 152.2 secs Computing kpt #: 304 total cpu time spent up to now is 152.7 secs Computing kpt #: 305 total cpu time spent up to now is 153.2 secs Computing kpt #: 306 total cpu time spent up to now is 153.7 secs Computing kpt #: 307 total cpu time spent up to now is 154.1 secs Computing kpt #: 308 total cpu time spent up to now is 154.6 secs Computing kpt #: 309 total cpu time spent up to now is 155.0 secs Computing kpt #: 310 total cpu time spent up to now is 155.5 secs Computing kpt #: 311 total cpu time spent up to now is 156.0 secs Computing kpt #: 312 total cpu time spent up to now is 156.5 secs Computing kpt #: 313 total cpu time spent up to now is 157.1 secs Computing kpt #: 314 total cpu time spent up to now is 157.7 secs Computing kpt #: 315 total cpu time spent up to now is 158.3 secs Computing kpt #: 316 total cpu time spent up to now is 158.9 secs Computing kpt #: 317 total cpu time spent up to now is 159.5 secs Computing kpt #: 318 total cpu time spent up to now is 160.0 secs Computing kpt #: 319 total cpu time spent up to now is 160.5 secs Computing kpt #: 320 total cpu time spent up to now is 161.0 secs Computing kpt #: 321 total cpu time spent up to now is 161.5 secs Computing kpt #: 322 total cpu time spent up to now is 162.0 secs Computing kpt #: 323 total cpu time spent up to now is 162.4 secs Computing kpt #: 324 total cpu time spent up to now is 162.9 secs Computing kpt #: 325 total cpu time spent up to now is 163.3 secs Computing kpt #: 326 total cpu time spent up to now is 163.7 secs Computing kpt #: 327 total cpu time spent up to now is 164.2 secs Computing kpt #: 328 total cpu time spent up to now is 164.7 secs Computing kpt #: 329 total cpu time spent up to now is 165.2 secs Computing kpt #: 330 total cpu time spent up to now is 165.7 secs Computing kpt #: 331 total cpu time spent up to now is 166.2 secs Computing kpt #: 332 total cpu time spent up to now is 166.6 secs Computing kpt #: 333 total cpu time spent up to now is 167.1 secs Computing kpt #: 334 total cpu time spent up to now is 167.6 secs Computing kpt #: 335 total cpu time spent up to now is 168.1 secs Computing kpt #: 336 total cpu time spent up to now is 168.6 secs Computing kpt #: 337 total cpu time spent up to now is 169.1 secs Computing kpt #: 338 total cpu time spent up to now is 169.6 secs Computing kpt #: 339 total cpu time spent up to now is 170.2 secs Computing kpt #: 340 total cpu time spent up to now is 170.7 secs Computing kpt #: 341 total cpu time spent up to now is 171.3 secs Computing kpt #: 342 total cpu time spent up to now is 171.8 secs Computing kpt #: 343 total cpu time spent up to now is 172.4 secs Computing kpt #: 344 total cpu time spent up to now is 172.9 secs Computing kpt #: 345 total cpu time spent up to now is 173.6 secs Computing kpt #: 346 total cpu time spent up to now is 174.2 secs Computing kpt #: 347 total cpu time spent up to now is 175.2 secs ethr = 2.63E-08, avg # of iterations = 22.6 total cpu time spent up to now is 175.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2751 PWs) bands (ev): -25.0389 -25.0389 -7.8932 -7.8932 -6.7728 -6.7728 -6.7547 -6.7547 -1.1084 -1.1084 2.2502 2.2502 4.9751 4.9751 6.8125 6.8125 6.8219 6.8219 7.1328 7.1328 7.3340 7.3340 7.5085 7.5085 7.5999 7.5999 8.1737 8.1737 8.3965 8.3965 8.5277 8.5277 8.7337 8.7337 8.7761 8.7761 8.8535 8.8535 10.6528 10.6528 11.8242 11.8242 11.9294 11.9294 12.9350 12.9350 k = 0.0000 0.0000 0.0185 ( 2771 PWs) bands (ev): -25.0389 -25.0389 -7.8933 -7.8933 -6.7729 -6.7729 -6.7548 -6.7548 -1.1069 -1.1069 2.2496 2.2496 4.9763 4.9763 6.8119 6.8119 6.8201 6.8201 7.1337 7.1337 7.3323 7.3323 7.5085 7.5085 7.5996 7.5996 8.1731 8.1731 8.3959 8.3959 8.5273 8.5273 8.7271 8.7271 8.7670 8.7670 8.8675 8.8675 10.6477 10.6477 11.8220 11.8220 11.9279 11.9279 12.9422 12.9422 k = 0.0000 0.0000 0.0370 ( 2793 PWs) bands (ev): -25.0388 -25.0388 -7.8936 -7.8936 -6.7730 -6.7730 -6.7554 -6.7554 -1.1026 -1.1026 2.2483 2.2483 4.9798 4.9798 6.8085 6.8085 6.8175 6.8175 7.1364 7.1364 7.3282 7.3282 7.5072 7.5072 7.5997 7.5997 8.1719 8.1719 8.3936 8.3936 8.5257 8.5257 8.7049 8.7049 8.7560 8.7560 8.8962 8.8962 10.6328 10.6328 11.8068 11.8068 11.9327 11.9327 12.9638 12.9638 k = 0.0000 0.0000 0.0556 ( 2801 PWs) bands (ev): -25.0388 -25.0388 -7.8940 -7.8940 -6.7732 -6.7732 -6.7564 -6.7564 -1.0953 -1.0953 2.2460 2.2460 4.9858 4.9858 6.7987 6.7987 6.8176 6.8176 7.1408 7.1408 7.3221 7.3221 7.5015 7.5015 7.6027 7.6027 8.1699 8.1699 8.3903 8.3903 8.5228 8.5228 8.6734 8.6734 8.7496 8.7496 8.9276 8.9276 10.6090 10.6090 11.7669 11.7669 11.9571 11.9571 12.9996 12.9996 k = 0.0000 0.0000 0.0741 ( 2801 PWs) bands (ev): -25.0387 -25.0387 -7.8946 -7.8946 -6.7734 -6.7734 -6.7577 -6.7577 -1.0852 -1.0852 2.2429 2.2429 4.9941 4.9941 6.7841 6.7841 6.8193 6.8193 7.1465 7.1465 7.3148 7.3148 7.4883 7.4883 7.6109 7.6109 8.1673 8.1673 8.3856 8.3856 8.5178 8.5178 8.6405 8.6405 8.7442 8.7442 8.9584 8.9584 10.5780 10.5780 11.7052 11.7052 12.0004 12.0004 13.0492 13.0492 k = 0.0000 0.0000 0.0926 ( 2801 PWs) bands (ev): -25.0385 -25.0385 -7.8953 -7.8953 -6.7738 -6.7738 -6.7593 -6.7593 -1.0722 -1.0722 2.2390 2.2390 5.0045 5.0045 6.7656 6.7656 6.8219 6.8219 7.1533 7.1533 7.3070 7.3070 7.4661 7.4661 7.6247 7.6247 8.1641 8.1641 8.3795 8.3795 8.5095 8.5095 8.6107 8.6107 8.7384 8.7384 8.9876 8.9876 10.5411 10.5411 11.6286 11.6286 12.0577 12.0577 13.1121 13.1121 k = 0.0000 0.0000 0.1111 ( 2793 PWs) bands (ev): -25.0384 -25.0384 -7.8963 -7.8963 -6.7743 -6.7743 -6.7613 -6.7613 -1.0565 -1.0565 2.2344 2.2344 5.0171 5.0171 6.7438 6.7438 6.8251 6.8251 7.1609 7.1609 7.2991 7.2991 7.4355 7.4355 7.6431 7.6431 8.1605 8.1605 8.3719 8.3719 8.4962 8.4962 8.5870 8.5870 8.7317 8.7317 9.0147 9.0147 10.4999 10.4999 11.5424 11.5424 12.1257 12.1257 13.1878 13.1878 k = 0.0000 0.0000 0.1296 ( 2793 PWs) bands (ev): -25.0382 -25.0382 -7.8973 -7.8973 -6.7749 -6.7749 -6.7635 -6.7635 -1.0380 -1.0380 2.2289 2.2289 5.0317 5.0317 6.7190 6.7190 6.8289 6.8289 7.1690 7.1690 7.2915 7.2915 7.3973 7.3973 7.6647 7.6647 8.1565 8.1565 8.3629 8.3629 8.4777 8.4777 8.5705 8.5705 8.7240 8.7240 9.0392 9.0392 10.4557 10.4557 11.4501 11.4501 12.2025 12.2025 13.2757 13.2757 k = 0.0000 0.0000 0.1482 ( 2789 PWs) bands (ev): -25.0380 -25.0380 -7.8985 -7.8985 -6.7757 -6.7757 -6.7659 -6.7659 -1.0167 -1.0167 2.2228 2.2228 5.0481 5.0481 6.6916 6.6916 6.8334 6.8334 7.1771 7.1771 7.2844 7.2844 7.3524 7.3524 7.6887 7.6887 8.1523 8.1523 8.3522 8.3522 8.4560 8.4560 8.5598 8.5598 8.7152 8.7152 9.0614 9.0614 10.4094 10.4094 11.3546 11.3546 12.2867 12.2867 13.3749 13.3749 k = 0.0000 0.0000 0.1667 ( 2791 PWs) bands (ev): -25.0378 -25.0378 -7.8999 -7.8999 -6.7768 -6.7768 -6.7684 -6.7684 -0.9929 -0.9929 2.2160 2.2160 5.0661 5.0661 6.6621 6.6621 6.8384 6.8384 7.1846 7.1846 7.2769 7.2769 7.3030 7.3030 7.7145 7.7145 8.1480 8.1480 8.3398 8.3398 8.4339 8.4339 8.5523 8.5523 8.7053 8.7053 9.0812 9.0812 10.3618 10.3618 11.2578 11.2578 12.3770 12.3770 13.4849 13.4849 k = 0.0000 0.0000 0.1852 ( 2783 PWs) bands (ev): -25.0375 -25.0375 -7.9014 -7.9014 -6.7785 -6.7785 -6.7706 -6.7706 -0.9665 -0.9665 2.2087 2.2087 5.0855 5.0855 6.6307 6.6307 6.8441 6.8441 7.1877 7.1877 7.2462 7.2462 7.2765 7.2765 7.7417 7.7417 8.1437 8.1437 8.3260 8.3260 8.4130 8.4130 8.5464 8.5464 8.6942 8.6942 9.0988 9.0988 10.3137 10.3137 11.1615 11.1615 12.4728 12.4728 13.6049 13.6049 k = 0.0000 0.0000 0.2037 ( 2783 PWs) bands (ev): -25.0373 -25.0373 -7.9031 -7.9031 -6.7809 -6.7809 -6.7724 -6.7724 -0.9376 -0.9376 2.2008 2.2008 5.1060 5.1060 6.5978 6.5978 6.8502 6.8502 7.1615 7.1615 7.2189 7.2189 7.2718 7.2718 7.7698 7.7698 8.1395 8.1395 8.3111 8.3111 8.3939 8.3939 8.5410 8.5410 8.6820 8.6820 9.1143 9.1143 10.2654 10.2654 11.0667 11.0667 12.5734 12.5734 13.6123 13.6123 k = 0.0000 0.0000 0.2223 ( 2777 PWs) bands (ev): -25.0370 -25.0370 -7.9048 -7.9048 -6.7840 -6.7840 -6.7738 -6.7738 -0.9063 -0.9063 2.1925 2.1925 5.1272 5.1272 6.5640 6.5640 6.8569 6.8569 7.1002 7.1002 7.2207 7.2207 7.2696 7.2696 7.7988 7.7988 8.1353 8.1353 8.2954 8.2954 8.3767 8.3767 8.5357 8.5357 8.6687 8.6687 9.1279 9.1279 10.2173 10.2173 10.9745 10.9745 12.6781 12.6781 13.6177 13.6177 k = 0.0000 0.0000 0.2408 ( 2781 PWs) bands (ev): -25.0366 -25.0366 -7.9067 -7.9067 -6.7877 -6.7877 -6.7749 -6.7749 -0.8727 -0.8727 2.1838 2.1838 5.1487 5.1487 6.5298 6.5298 6.8641 6.8641 7.0298 7.0298 7.2265 7.2265 7.2694 7.2694 7.8281 7.8281 8.1312 8.1312 8.2793 8.2793 8.3608 8.3608 8.5300 8.5300 8.6541 8.6541 9.1397 9.1397 10.1697 10.1697 10.8855 10.8855 12.7866 12.7866 13.6261 13.6261 k = 0.0000 0.0000 0.2593 ( 2785 PWs) bands (ev): -25.0363 -25.0363 -7.9087 -7.9087 -6.7917 -6.7917 -6.7758 -6.7758 -0.8369 -0.8369 2.1748 2.1748 5.1700 5.1700 6.4957 6.4957 6.8718 6.8718 6.9552 6.9552 7.2321 7.2321 7.2717 7.2717 7.8578 7.8578 8.1271 8.1271 8.2632 8.2632 8.3461 8.3461 8.5238 8.5238 8.6385 8.6385 9.1499 9.1499 10.1227 10.1227 10.8002 10.8002 12.8985 12.8985 13.6379 13.6379 k = 0.0000 0.0000 0.2778 ( 2787 PWs) bands (ev): -25.0360 -25.0360 -7.9107 -7.9107 -6.7961 -6.7961 -6.7766 -6.7766 -0.7990 -0.7990 2.1656 2.1656 5.1906 5.1906 6.4624 6.4624 6.8755 6.8755 6.8823 6.8823 7.2366 7.2366 7.2764 7.2764 7.8877 7.8877 8.1229 8.1229 8.2476 8.2476 8.3323 8.3323 8.5168 8.5168 8.6217 8.6217 9.1587 9.1587 10.0765 10.0765 10.7191 10.7191 13.0133 13.0133 13.6536 13.6536 k = 0.0000 0.0000 0.2963 ( 2781 PWs) bands (ev): -25.0356 -25.0356 -7.9129 -7.9129 -6.8006 -6.8006 -6.7774 -6.7774 -0.7592 -0.7592 2.1562 2.1562 5.2098 5.2098 6.4307 6.4307 6.7979 6.7979 6.8890 6.8890 7.2400 7.2400 7.2832 7.2832 7.9176 7.9176 8.1184 8.1184 8.2327 8.2327 8.3193 8.3193 8.5090 8.5090 8.6039 8.6039 9.1663 9.1663 10.0311 10.0311 10.6424 10.6424 13.1309 13.1309 13.6734 13.6734 k = 0.0000 0.0000 0.3149 ( 2789 PWs) bands (ev): -25.0352 -25.0352 -7.9151 -7.9151 -6.8053 -6.8053 -6.7782 -6.7782 -0.7175 -0.7175 2.1467 2.1467 5.2268 5.2268 6.4014 6.4014 6.7168 6.7168 6.8980 6.8980 7.2429 7.2429 7.2914 7.2914 7.9473 7.9473 8.1135 8.1135 8.2185 8.2185 8.3069 8.3069 8.5003 8.5003 8.5849 8.5849 9.1726 9.1726 9.9865 9.9865 10.5703 10.5703 13.2509 13.2509 13.6978 13.6978 k = 0.0000 0.0000 0.3334 ( 2789 PWs) bands (ev): -25.0348 -25.0348 -7.9175 -7.9175 -6.8101 -6.8101 -6.7789 -6.7789 -0.6741 -0.6741 2.1372 2.1372 5.2409 5.2409 6.3755 6.3755 6.6349 6.6349 6.9077 6.9077 7.2457 7.2457 7.3006 7.3006 7.9765 7.9765 8.1079 8.1079 8.2053 8.2053 8.2952 8.2952 8.4906 8.4906 8.5648 8.5648 9.1780 9.1780 9.9429 9.9429 10.5027 10.5027 13.3728 13.3728 13.7270 13.7270 k = 0.0000 0.0000 0.3519 ( 2785 PWs) bands (ev): -25.0344 -25.0344 -7.9198 -7.9198 -6.8151 -6.8151 -6.7796 -6.7796 -0.6291 -0.6291 2.1277 2.1277 5.2513 5.2513 6.3540 6.3540 6.5525 6.5525 6.9177 6.9177 7.2486 7.2486 7.3102 7.3102 8.0051 8.0051 8.1019 8.1019 8.1931 8.1931 8.2843 8.2843 8.4798 8.4798 8.5438 8.5438 9.1825 9.1825 9.9001 9.9001 10.4396 10.4396 13.4965 13.4965 13.7613 13.7613 k = 0.0000 0.0000 0.3704 ( 2781 PWs) bands (ev): -25.0339 -25.0339 -7.9222 -7.9222 -6.8200 -6.8200 -6.7803 -6.7803 -0.5827 -0.5827 2.1183 2.1183 5.2574 5.2574 6.3377 6.3377 6.4700 6.4700 6.9282 6.9282 7.2519 7.2519 7.3201 7.3201 8.0321 8.0321 8.0958 8.0958 8.1819 8.1819 8.2742 8.2742 8.4680 8.4680 8.5220 8.5220 9.1862 9.1862 9.8582 9.8582 10.3808 10.3808 13.6214 13.6214 13.8011 13.8011 k = 0.0000 0.0000 0.3889 ( 2765 PWs) bands (ev): -25.0335 -25.0335 -7.9247 -7.9247 -6.8251 -6.8251 -6.7810 -6.7810 -0.5351 -0.5351 2.1091 2.1091 5.2584 5.2584 6.3273 6.3273 6.3880 6.3880 6.9390 6.9390 7.2555 7.2555 7.3301 7.3301 8.0541 8.0541 8.0931 8.0931 8.1718 8.1718 8.2651 8.2651 8.4551 8.4551 8.4994 8.4994 9.1893 9.1893 9.8171 9.8171 10.3263 10.3263 13.7463 13.7463 13.8473 13.8473 k = 0.0000 0.0000 0.4075 ( 2777 PWs) bands (ev): -25.0331 -25.0331 -7.9272 -7.9272 -6.8301 -6.8301 -6.7817 -6.7817 -0.4863 -0.4863 2.1001 2.1001 5.2539 5.2539 6.3057 6.3057 6.3242 6.3242 6.9501 6.9501 7.2594 7.2594 7.3398 7.3398 8.0604 8.0604 8.1039 8.1039 8.1625 8.1625 8.2569 8.2569 8.4412 8.4412 8.4761 8.4761 9.1917 9.1917 9.7767 9.7767 10.2755 10.2755 13.8643 13.8643 13.9064 13.9064 k = 0.0000 0.0000 0.4260 ( 2785 PWs) bands (ev): -25.0326 -25.0326 -7.9297 -7.9297 -6.8351 -6.8351 -6.7823 -6.7823 -0.4366 -0.4366 2.0913 2.0913 5.2441 5.2441 6.2255 6.2255 6.3264 6.3264 6.9614 6.9614 7.2635 7.2635 7.3494 7.3494 8.0534 8.0534 8.1259 8.1259 8.1539 8.1539 8.2500 8.2500 8.4264 8.4264 8.4528 8.4528 9.1934 9.1934 9.7370 9.7370 10.2281 10.2281 13.9415 13.9415 14.0117 14.0117 k = 0.0000 0.0000 0.4445 ( 2789 PWs) bands (ev): -25.0321 -25.0321 -7.9322 -7.9322 -6.8401 -6.8401 -6.7830 -6.7830 -0.3861 -0.3861 2.0828 2.0828 5.2291 5.2291 6.1460 6.1460 6.3357 6.3357 6.9729 6.9729 7.2681 7.2681 7.3587 7.3587 8.0424 8.0424 8.1454 8.1454 8.1501 8.1501 8.2442 8.2442 8.4108 8.4108 8.4296 8.4296 9.1947 9.1947 9.6980 9.6980 10.1838 10.1838 14.0035 14.0035 14.1363 14.1363 k = 0.0000 0.0000 0.4630 ( 2789 PWs) bands (ev): -25.0317 -25.0317 -7.9346 -7.9346 -6.8450 -6.8450 -6.7836 -6.7836 -0.3350 -0.3350 2.0747 2.0747 5.2094 5.2094 6.0679 6.0679 6.3512 6.3512 6.9846 6.9846 7.2728 7.2728 7.3676 7.3676 8.0300 8.0300 8.1380 8.1380 8.1721 8.1721 8.2397 8.2397 8.3946 8.3946 8.4076 8.4076 9.1956 9.1956 9.6596 9.6596 10.1419 10.1419 14.0659 14.0659 14.2612 14.2612 k = 0.0000 0.0000 0.4815 ( 2790 PWs) bands (ev): -25.0312 -25.0312 -7.9371 -7.9371 -6.8499 -6.8499 -6.7842 -6.7842 -0.2835 -0.2835 2.0670 2.0670 5.1858 5.1858 5.9913 5.9913 6.3724 6.3724 6.9963 6.9963 7.2778 7.2778 7.3761 7.3761 8.0169 8.0169 8.1305 8.1305 8.1904 8.1904 8.2367 8.2367 8.3786 8.3786 8.3876 8.3876 9.1962 9.1962 9.6217 9.6217 10.1020 10.1020 14.1230 14.1230 14.3689 14.3689 k = 0.0000 0.0000 0.5001 ( 2790 PWs) bands (ev): -25.0307 -25.0307 -7.9396 -7.9396 -6.8547 -6.8547 -6.7847 -6.7847 -0.2318 -0.2318 2.0596 2.0596 5.1591 5.1591 5.9163 5.9163 6.3984 6.3984 7.0081 7.0081 7.2829 7.2829 7.3840 7.3840 8.0032 8.0032 8.1235 8.1235 8.2017 8.2017 8.2351 8.2351 8.3645 8.3645 8.3711 8.3711 9.1964 9.1964 9.5843 9.5843 10.0635 10.0635 14.1360 14.1361 14.2846 14.2846 k = 0.0000 0.0000 0.5186 ( 2790 PWs) bands (ev): -25.0303 -25.0303 -7.9420 -7.9420 -6.8594 -6.8594 -6.7853 -6.7853 -0.1801 -0.1801 2.0527 2.0527 5.1303 5.1303 5.8433 5.8433 6.4284 6.4284 7.0199 7.0199 7.2882 7.2882 7.3913 7.3913 7.9894 7.9894 8.1168 8.1168 8.2043 8.2043 8.2323 8.2323 8.3508 8.3508 8.3641 8.3641 9.1963 9.1963 9.5473 9.5473 10.0259 10.0259 14.0453 14.0453 14.1585 14.1585 k = 0.0000 0.0000 0.5371 ( 2784 PWs) bands (ev): -25.0298 -25.0298 -7.9444 -7.9444 -6.8639 -6.8639 -6.7858 -6.7858 -0.1286 -0.1286 2.0462 2.0462 5.1002 5.1002 5.7722 5.7722 6.4616 6.4616 7.0316 7.0316 7.2935 7.2935 7.3979 7.3979 7.9754 7.9754 8.1106 8.1106 8.1999 8.1999 8.2238 8.2238 8.3366 8.3366 8.3702 8.3702 9.1960 9.1960 9.5108 9.5108 9.9884 9.9884 13.9120 13.9120 14.0407 14.0407 k = 0.0000 0.0000 0.5556 ( 2784 PWs) bands (ev): -25.0293 -25.0293 -7.9467 -7.9467 -6.8684 -6.8684 -6.7863 -6.7863 -0.0776 -0.0776 2.0402 2.0402 5.0697 5.0697 5.7032 5.7032 6.4973 6.4973 7.0431 7.0431 7.2988 7.2988 7.4038 7.4038 7.9616 7.9616 8.1048 8.1048 8.1893 8.1893 8.2106 8.2106 8.3240 8.3240 8.3860 8.3860 9.1955 9.1955 9.4745 9.4745 9.9507 9.9507 13.7711 13.7711 13.9344 13.9344 k = 0.0000 0.0000 0.5741 ( 2758 PWs) bands (ev): -25.0289 -25.0289 -7.9490 -7.9490 -6.8727 -6.8727 -6.7867 -6.7867 -0.0271 -0.0271 2.0347 2.0347 5.0395 5.0395 5.6365 5.6365 6.5347 6.5347 7.0545 7.0545 7.3041 7.3041 7.4090 7.4090 7.9479 7.9479 8.0995 8.0995 8.1720 8.1720 8.1968 8.1968 8.3138 8.3138 8.4078 8.4078 9.1949 9.1949 9.4385 9.4385 9.9124 9.9124 13.6298 13.6298 13.8404 13.8404 k = 0.0000 0.0000 0.5927 ( 2758 PWs) bands (ev): -25.0284 -25.0284 -7.9512 -7.9512 -6.8768 -6.8768 -6.7871 -6.7871 0.0226 0.0226 2.0295 2.0295 5.0102 5.0102 5.5720 5.5720 6.5731 6.5731 7.0654 7.0654 7.3093 7.3093 7.4132 7.4132 7.9343 7.9343 8.0937 8.0937 8.1504 8.1504 8.1828 8.1828 8.3060 8.3060 8.4329 8.4329 9.1940 9.1940 9.4028 9.4028 9.8728 9.8728 13.4901 13.4901 13.7593 13.7593 k = 0.0000 0.0000 0.6112 ( 2754 PWs) bands (ev): -25.0280 -25.0280 -7.9533 -7.9533 -6.8808 -6.8808 -6.7875 -6.7875 0.0712 0.0712 2.0249 2.0249 4.9824 4.9824 5.5099 5.5099 6.6118 6.6118 7.0759 7.0759 7.3145 7.3145 7.4166 7.4166 7.9210 7.9210 8.0859 8.0859 8.1290 8.1290 8.1679 8.1679 8.3006 8.3006 8.4601 8.4601 9.1931 9.1931 9.3673 9.3673 9.8317 9.8317 13.3531 13.3531 13.6916 13.6916 k = 0.0000 0.0000 0.6297 ( 2762 PWs) bands (ev): -25.0276 -25.0276 -7.9554 -7.9554 -6.8847 -6.8847 -6.7879 -6.7879 0.1186 0.1186 2.0207 2.0207 4.9566 4.9566 5.4503 5.4503 6.6502 6.6502 7.0859 7.0859 7.3194 7.3194 7.4192 7.4192 7.9079 7.9079 8.0720 8.0720 8.1127 8.1127 8.1521 8.1521 8.2970 8.2970 8.4886 8.4886 9.1921 9.1921 9.3320 9.3320 9.7891 9.7891 13.2191 13.2191 13.6375 13.6375 k = 0.0000 0.0000 0.6482 ( 2770 PWs) bands (ev): -25.0271 -25.0271 -7.9574 -7.9574 -6.8883 -6.8883 -6.7882 -6.7882 0.1646 0.1646 2.0169 2.0169 4.9333 4.9333 5.3932 5.3932 6.6877 6.6877 7.0955 7.0955 7.3241 7.3241 7.4211 7.4211 7.8950 7.8950 8.0504 8.0504 8.1027 8.1027 8.1371 8.1371 8.2952 8.2952 8.5180 8.5180 9.1910 9.1910 9.2968 9.2968 9.7449 9.7449 13.0887 13.0887 13.5971 13.5971 k = 0.0000 0.0000 0.6668 ( 2772 PWs) bands (ev): -25.0267 -25.0267 -7.9593 -7.9593 -6.8918 -6.8918 -6.7885 -6.7885 0.2090 0.2090 2.0135 2.0135 4.9126 4.9126 5.3388 5.3388 6.7237 6.7237 7.1045 7.1045 7.3288 7.3288 7.4225 7.4225 7.8826 7.8826 8.0250 8.0250 8.0927 8.0927 8.1265 8.1265 8.2946 8.2946 8.5482 8.5482 9.1898 9.1898 9.2619 9.2619 9.6993 9.6993 12.9621 12.9621 13.5706 13.5706 k = 0.0000 0.0000 0.6853 ( 2772 PWs) bands (ev): -25.0263 -25.0263 -7.9611 -7.9611 -6.8951 -6.8951 -6.7888 -6.7888 0.2516 0.2516 2.0106 2.0106 4.8950 4.8950 5.2870 5.2870 6.7576 6.7576 7.1130 7.1130 7.3333 7.3333 7.4236 7.4236 7.8705 7.8705 7.9983 7.9983 8.0777 8.0777 8.1231 8.1231 8.2948 8.2948 8.5789 8.5789 9.1886 9.1886 9.2273 9.2273 9.6525 9.6525 12.8397 12.8397 13.5576 13.5576 k = 0.0000 0.0000 0.7038 ( 2768 PWs) bands (ev): -25.0260 -25.0260 -7.9629 -7.9629 -6.8982 -6.8982 -6.7890 -6.7890 0.2922 0.2922 2.0080 2.0080 4.8805 4.8805 5.2379 5.2379 6.7888 6.7888 7.1209 7.1209 7.3377 7.3377 7.4247 7.4247 7.8588 7.8588 7.9714 7.9714 8.0591 8.0591 8.1251 8.1251 8.2956 8.2956 8.6099 8.6099 9.1869 9.1869 9.1935 9.1935 9.6050 9.6050 12.7216 12.7216 13.5579 13.5579 k = 0.0000 0.0000 0.7223 ( 2774 PWs) bands (ev): -25.0256 -25.0256 -7.9645 -7.9645 -6.9012 -6.9012 -6.7892 -6.7892 0.3308 0.3308 2.0058 2.0058 4.8692 4.8692 5.1917 5.1917 6.8165 6.8165 7.1282 7.1282 7.3419 7.3419 7.4262 7.4262 7.8474 7.8474 7.9450 7.9450 8.0387 8.0387 8.1302 8.1302 8.2968 8.2968 8.6411 8.6411 9.1585 9.1585 9.1866 9.1866 9.5571 9.5571 12.6082 12.6082 13.5709 13.5709 k = 0.0000 0.0000 0.7408 ( 2770 PWs) bands (ev): -25.0252 -25.0252 -7.9660 -7.9660 -6.9039 -6.9039 -6.7894 -6.7894 0.3671 0.3671 2.0039 2.0039 4.8612 4.8612 5.1482 5.1482 6.8403 6.8403 7.1348 7.1348 7.3460 7.3460 7.4286 7.4286 7.8363 7.8363 7.9195 7.9195 8.0176 8.0176 8.1377 8.1377 8.2983 8.2983 8.6723 8.6723 9.1248 9.1248 9.1855 9.1855 9.5097 9.5097 12.4997 12.4997 13.5962 13.5962 k = 0.0000 0.0000 0.7594 ( 2766 PWs) bands (ev): -25.0249 -25.0249 -7.9675 -7.9675 -6.9065 -6.9065 -6.7896 -6.7896 0.4011 0.4011 2.0023 2.0023 4.8563 4.8563 5.1076 5.1076 6.8596 6.8596 7.1409 7.1409 7.3499 7.3499 7.4325 7.4325 7.8252 7.8252 7.8951 7.8951 7.9960 7.9960 8.1469 8.1469 8.2999 8.2999 8.7034 8.7034 9.0915 9.0915 9.1844 9.1844 9.4632 9.4632 12.3964 12.3964 13.6328 13.6328 k = 0.0000 0.0000 0.7779 ( 2778 PWs) bands (ev): -25.0246 -25.0246 -7.9688 -7.9688 -6.9088 -6.9088 -6.7897 -6.7897 0.4327 0.4327 2.0010 2.0010 4.8543 4.8543 5.0698 5.0698 6.8739 6.8739 7.1462 7.1462 7.3536 7.3536 7.4382 7.4382 7.8140 7.8140 7.8723 7.8723 7.9741 7.9741 8.1576 8.1576 8.3016 8.3016 8.7339 8.7339 9.0587 9.0587 9.1833 9.1833 9.4181 9.4181 12.2986 12.2986 13.6800 13.6800 k = 0.0000 0.0000 0.7964 ( 2796 PWs) bands (ev): -25.0243 -25.0243 -7.9700 -7.9700 -6.9110 -6.9110 -6.7898 -6.7898 0.4617 0.4617 1.9999 1.9999 4.8552 4.8552 5.0350 5.0350 6.8831 6.8831 7.1509 7.1509 7.3571 7.3571 7.4463 7.4463 7.8024 7.8024 7.8517 7.8517 7.9521 7.9521 8.1694 8.1694 8.3033 8.3033 8.7638 8.7638 9.0265 9.0265 9.1824 9.1824 9.3751 9.3751 12.2066 12.2066 13.7367 13.7367 k = 0.0000 0.0000 0.8149 ( 2790 PWs) bands (ev): -25.0241 -25.0241 -7.9712 -7.9712 -6.9130 -6.9130 -6.7899 -6.7899 0.4883 0.4883 1.9991 1.9991 4.8584 4.8584 5.0032 5.0032 6.8873 6.8873 7.1551 7.1551 7.3606 7.3606 7.4569 7.4569 7.7900 7.7900 7.8337 7.8337 7.9302 7.9302 8.1826 8.1826 8.3050 8.3050 8.7927 8.7927 8.9954 8.9954 9.1815 9.1815 9.3348 9.3348 12.1207 12.1207 13.8019 13.8019 k = 0.0000 0.0000 0.8334 ( 2794 PWs) bands (ev): -25.0238 -25.0238 -7.9722 -7.9722 -6.9148 -6.9148 -6.7900 -6.7900 0.5123 0.5123 1.9984 1.9984 4.8637 4.8637 4.9743 4.9743 6.8868 6.8868 7.1587 7.1587 7.3640 7.3640 7.4701 7.4701 7.7765 7.7765 7.8188 7.8188 7.9084 7.9084 8.1966 8.1966 8.3065 8.3065 8.8204 8.8204 8.9654 8.9654 9.1808 9.1808 9.2973 9.2973 12.0414 12.0414 13.8741 13.8741 k = 0.0000 0.0000 0.8520 ( 2790 PWs) bands (ev): -25.0236 -25.0236 -7.9731 -7.9731 -6.9164 -6.9164 -6.7901 -6.7901 0.5336 0.5336 1.9979 1.9979 4.8705 4.8705 4.9486 4.9486 6.8824 6.8824 7.1617 7.1617 7.3672 7.3672 7.4857 7.4857 7.7621 7.7621 7.8067 7.8067 7.8869 7.8869 8.2112 8.2112 8.3079 8.3079 8.8463 8.8463 8.9369 8.9369 9.1801 9.1801 9.2631 9.2631 11.9689 11.9689 13.9517 13.9517 k = 0.0000 0.0000 0.8705 ( 2786 PWs) bands (ev): -25.0234 -25.0234 -7.9739 -7.9739 -6.9178 -6.9178 -6.7902 -6.7902 0.5525 0.5525 1.9975 1.9975 4.8781 4.8781 4.9262 4.9262 6.8750 6.8750 7.1642 7.1642 7.3701 7.3701 7.5034 7.5034 7.7474 7.7474 7.7968 7.7968 7.8661 7.8661 8.2259 8.2259 8.3092 8.3092 8.8695 8.8695 8.9108 8.9108 9.1798 9.1798 9.2325 9.2325 11.9037 11.9037 14.0326 14.0326 k = 0.0000 0.0000 0.8890 ( 2782 PWs) bands (ev): -25.0232 -25.0232 -7.9746 -7.9746 -6.9190 -6.9190 -6.7902 -6.7902 0.5687 0.5687 1.9972 1.9972 4.8852 4.8852 4.9078 4.9078 6.8657 6.8657 7.1664 7.1664 7.3728 7.3728 7.5226 7.5226 7.7333 7.7333 7.7880 7.7880 7.8463 7.8463 8.2405 8.2405 8.3103 8.3103 8.8785 8.8785 8.8988 8.8988 9.1793 9.1793 9.2058 9.2058 11.8461 11.8461 14.1140 14.1140 k = 0.0000 0.0000 0.9075 ( 2784 PWs) bands (ev): -25.0231 -25.0231 -7.9752 -7.9752 -6.9200 -6.9200 -6.7902 -6.7902 0.5824 0.5824 1.9970 1.9970 4.8838 4.8838 4.9009 4.9009 6.8555 6.8555 7.1680 7.1680 7.3752 7.3752 7.5430 7.5430 7.7199 7.7199 7.7794 7.7794 7.8284 7.8284 8.2543 8.2543 8.3110 8.3110 8.8596 8.8596 8.9146 8.9146 9.1784 9.1784 9.1834 9.1834 11.7966 11.7966 14.1918 14.1918 k = 0.0000 0.0000 0.9260 ( 2784 PWs) bands (ev): -25.0230 -25.0230 -7.9757 -7.9757 -6.9209 -6.9209 -6.7903 -6.7903 0.5935 0.5935 1.9969 1.9969 4.8726 4.8726 4.9063 4.9063 6.8454 6.8454 7.1694 7.1694 7.3772 7.3772 7.5639 7.5639 7.7074 7.7074 7.7701 7.7701 7.8136 7.8136 8.2670 8.2670 8.3115 8.3115 8.8406 8.8406 8.9305 8.9305 9.1636 9.1636 9.1790 9.1790 11.7554 11.7554 14.2605 14.2605 k = 0.0000 0.0000 0.9446 ( 2784 PWs) bands (ev): -25.0229 -25.0229 -7.9761 -7.9761 -6.9215 -6.9215 -6.7903 -6.7903 0.6022 0.6022 1.9968 1.9968 4.8625 4.8625 4.9125 4.9125 6.8365 6.8365 7.1704 7.1704 7.3788 7.3788 7.5849 7.5849 7.6953 7.6953 7.7599 7.7599 7.8028 7.8028 8.2781 8.2781 8.3115 8.3115 8.8247 8.8247 8.9436 8.9436 9.1489 9.1489 9.1788 9.1788 11.7231 11.7231 14.3140 14.3140 k = 0.0000 0.0000 0.9631 ( 2776 PWs) bands (ev): -25.0228 -25.0228 -7.9764 -7.9764 -6.9220 -6.9220 -6.7903 -6.7903 0.6083 0.6083 1.9968 1.9968 4.8550 4.8550 4.9176 4.9176 6.8296 6.8296 7.1710 7.1710 7.3802 7.3802 7.6052 7.6052 7.6832 7.6832 7.7499 7.7499 7.7961 7.7961 8.2871 8.2871 8.3112 8.3112 8.8128 8.8128 8.9533 8.9533 9.1384 9.1384 9.1788 9.1788 11.6997 11.6997 14.3487 14.3487 k = 0.0000 0.0000 0.9816 ( 2766 PWs) bands (ev): -25.0228 -25.0228 -7.9765 -7.9765 -6.9223 -6.9223 -6.7903 -6.7903 0.6120 0.6120 1.9968 1.9968 4.8505 4.8505 4.9208 4.9208 6.8251 6.8251 7.1715 7.1715 7.3810 7.3810 7.6231 7.6231 7.6712 7.6712 7.7428 7.7428 7.7926 7.7926 8.2931 8.2931 8.3106 8.3106 8.8054 8.8054 8.9592 8.9592 9.1320 9.1320 9.1787 9.1787 11.6856 11.6856 14.3669 14.3669 k = 0.0000 0.0000 1.0001 ( 2756 PWs) bands (ev): -25.0228 -25.0228 -7.9766 -7.9766 -6.9223 -6.9223 -6.7903 -6.7903 0.6133 0.6133 1.9968 1.9968 4.8490 4.8490 4.9219 4.9219 6.8236 6.8236 7.1716 7.1716 7.3812 7.3812 7.6322 7.6322 7.6642 7.6642 7.7402 7.7402 7.7915 7.7915 8.2953 8.2953 8.3102 8.3102 8.8030 8.8030 8.9612 8.9612 9.1300 9.1300 9.1787 9.1787 11.6809 11.6809 14.3723 14.3723 k = 0.0000 0.0000 1.0001 ( 2756 PWs) bands (ev): -25.0228 -25.0228 -7.9766 -7.9766 -6.9223 -6.9223 -6.7903 -6.7903 0.6133 0.6133 1.9968 1.9968 4.8490 4.8490 4.9219 4.9219 6.8236 6.8236 7.1716 7.1716 7.3812 7.3812 7.6322 7.6322 7.6642 7.6642 7.7402 7.7402 7.7915 7.7915 8.2953 8.2953 8.3102 8.3102 8.8030 8.8030 8.9612 8.9612 9.1300 9.1300 9.1787 9.1787 11.6809 11.6809 14.3723 14.3723 k =-0.0093 0.0160 1.0001 ( 2760 PWs) bands (ev): -25.0228 -25.0228 -7.9765 -7.9765 -6.9222 -6.9222 -6.7903 -6.7903 0.6138 0.6138 1.9929 1.9929 4.8536 4.8536 4.9232 4.9232 6.8218 6.8218 7.1707 7.1707 7.3811 7.3811 7.6325 7.6325 7.6641 7.6641 7.7400 7.7400 7.7913 7.7913 8.2948 8.2948 8.3078 8.3078 8.8044 8.8044 8.9658 8.9658 9.1299 9.1299 9.1803 9.1803 11.6810 11.6810 14.3755 14.3755 k =-0.0185 0.0321 1.0001 ( 2772 PWs) bands (ev): -25.0228 -25.0228 -7.9764 -7.9764 -6.9220 -6.9220 -6.7904 -6.7904 0.6153 0.6153 1.9815 1.9815 4.8672 4.8672 4.9272 4.9272 6.8165 6.8165 7.1679 7.1679 7.3805 7.3805 7.6331 7.6331 7.6637 7.6637 7.7394 7.7394 7.7909 7.7909 8.2923 8.2923 8.3022 8.3022 8.8090 8.8090 8.9793 8.9793 9.1299 9.1299 9.1847 9.1847 11.6813 11.6813 14.3850 14.3850 k =-0.0278 0.0481 1.0001 ( 2776 PWs) bands (ev): -25.0229 -25.0229 -7.9761 -7.9761 -6.9215 -6.9215 -6.7906 -6.7906 0.6179 0.6179 1.9627 1.9627 4.8897 4.8897 4.9339 4.9339 6.8076 6.8076 7.1633 7.1633 7.3797 7.3797 7.6342 7.6342 7.6632 7.6632 7.7386 7.7386 7.7902 7.7902 8.2834 8.2834 8.2984 8.2984 8.8166 8.8166 9.0011 9.0011 9.1299 9.1299 9.1924 9.1924 11.6818 11.6818 14.4001 14.4001 k =-0.0370 0.0641 1.0001 ( 2780 PWs) bands (ev): -25.0230 -25.0230 -7.9758 -7.9758 -6.9208 -6.9208 -6.7908 -6.7908 0.6215 0.6215 1.9371 1.9371 4.9204 4.9204 4.9432 4.9432 6.7953 6.7953 7.1569 7.1569 7.3784 7.3784 7.6352 7.6352 7.6626 7.6626 7.7377 7.7377 7.7892 7.7892 8.2685 8.2685 8.2968 8.2968 8.8275 8.8275 9.0301 9.0301 9.1302 9.1302 9.2030 9.2030 11.6826 11.6826 14.4194 14.4194 k =-0.0463 0.0802 1.0001 ( 2788 PWs) bands (ev): -25.0231 -25.0231 -7.9754 -7.9754 -6.9199 -6.9199 -6.7911 -6.7911 0.6260 0.6260 1.9051 1.9051 4.9544 4.9544 4.9594 4.9594 6.7797 6.7797 7.1489 7.1489 7.3767 7.3767 7.6358 7.6358 7.6624 7.6624 7.7369 7.7369 7.7879 7.7879 8.2504 8.2504 8.2957 8.2957 8.8419 8.8419 9.0653 9.0653 9.1308 9.1308 9.2167 9.2167 11.6837 11.6837 14.4412 14.4412 k =-0.0555 0.0962 1.0001 ( 2792 PWs) bands (ev): -25.0232 -25.0232 -7.9748 -7.9748 -6.9188 -6.9188 -6.7914 -6.7914 0.6314 0.6314 1.8673 1.8673 4.9694 4.9694 5.0042 5.0042 6.7607 6.7607 7.1391 7.1391 7.3745 7.3745 7.6353 7.6353 7.6629 7.6629 7.7363 7.7363 7.7866 7.7866 8.2307 8.2307 8.2947 8.2947 8.8599 8.8599 9.1055 9.1055 9.1321 9.1321 9.2337 9.2337 11.6851 11.6851 14.4628 14.4628 k =-0.0648 0.1122 1.0001 ( 2784 PWs) bands (ev): -25.0234 -25.0234 -7.9742 -7.9742 -6.9175 -6.9175 -6.7918 -6.7918 0.6376 0.6376 1.8245 1.8245 4.9866 4.9866 5.0555 5.0555 6.7386 6.7386 7.1280 7.1280 7.3717 7.3717 7.6330 7.6330 7.6646 7.6646 7.7363 7.7363 7.7851 7.7851 8.2105 8.2105 8.2936 8.2936 8.8817 8.8817 9.1316 9.1316 9.1523 9.1523 9.2541 9.2541 11.6869 11.6869 14.4783 14.4783 k =-0.0740 0.1283 1.0001 ( 2784 PWs) bands (ev): -25.0236 -25.0236 -7.9735 -7.9735 -6.9161 -6.9161 -6.7922 -6.7922 0.6445 0.6445 1.7774 1.7774 5.0064 5.0064 5.1121 5.1121 6.7134 6.7134 7.1157 7.1157 7.3681 7.3681 7.6287 7.6287 7.6676 7.6676 7.7368 7.7368 7.7837 7.7837 8.1901 8.1901 8.2925 8.2925 8.9074 8.9074 9.1341 9.1341 9.1999 9.1999 9.2786 9.2786 11.6892 11.6892 14.4627 14.4627 k =-0.0833 0.1443 1.0001 ( 2778 PWs) bands (ev): -25.0238 -25.0238 -7.9727 -7.9727 -6.9144 -6.9144 -6.7926 -6.7926 0.6520 0.6520 1.7265 1.7265 5.0287 5.0287 5.1731 5.1731 6.6853 6.6853 7.1023 7.1023 7.3638 7.3638 7.6225 7.6225 7.6714 7.6714 7.7379 7.7379 7.7826 7.7826 8.1705 8.1705 8.2912 8.2912 8.9368 8.9368 9.1368 9.1368 9.2501 9.2501 9.3082 9.3082 11.6920 11.6920 14.4325 14.4325 k =-0.0833 0.1443 1.0001 ( 2778 PWs) bands (ev): -25.0238 -25.0238 -7.9727 -7.9727 -6.9144 -6.9144 -6.7926 -6.7926 0.6520 0.6520 1.7265 1.7265 5.0287 5.0287 5.1731 5.1731 6.6853 6.6853 7.1023 7.1023 7.3638 7.3638 7.6225 7.6225 7.6714 7.6714 7.7379 7.7379 7.7826 7.7826 8.1705 8.1705 8.2912 8.2912 8.9368 8.9368 9.1368 9.1368 9.2501 9.2501 9.3082 9.3082 11.6920 11.6920 14.4325 14.4325 k =-0.0898 0.1556 0.9871 ( 2780 PWs) bands (ev): -25.0240 -25.0240 -7.9720 -7.9720 -6.9131 -6.9131 -6.7930 -6.7930 0.6570 0.6570 1.6890 1.6890 5.0450 5.0450 5.2188 5.2188 6.6650 6.6650 7.0923 7.0923 7.3601 7.3601 7.6166 7.6166 7.6736 7.6736 7.7398 7.7398 7.7834 7.7834 8.1572 8.1572 8.2897 8.2897 8.9597 8.9597 9.1408 9.1408 9.2825 9.2825 9.3354 9.3354 11.6966 11.6966 14.4037 14.4037 k =-0.0963 0.1669 0.9741 ( 2782 PWs) bands (ev): -25.0242 -25.0242 -7.9713 -7.9713 -6.9116 -6.9116 -6.7933 -6.7933 0.6613 0.6613 1.6505 1.6505 5.0606 5.0606 5.2671 5.2671 6.6457 6.6457 7.0816 7.0816 7.3560 7.3560 7.6095 7.6095 7.6738 7.6738 7.7419 7.7419 7.7878 7.7878 8.1444 8.1444 8.2875 8.2875 8.9832 8.9832 9.1500 9.1500 9.3077 9.3077 9.3720 9.3720 11.7062 11.7062 14.3634 14.3634 k =-0.1028 0.1781 0.9611 ( 2782 PWs) bands (ev): -25.0244 -25.0244 -7.9705 -7.9705 -6.9101 -6.9101 -6.7935 -6.7935 0.6648 0.6648 1.6112 1.6112 5.0750 5.0750 5.3175 5.3175 6.6280 6.6280 7.0703 7.0703 7.3515 7.3515 7.6018 7.6018 7.6726 7.6726 7.7428 7.7428 7.7961 7.7961 8.1323 8.1323 8.2847 8.2847 9.0053 9.0053 9.1658 9.1658 9.3283 9.3283 9.4156 9.4156 11.7206 11.7206 14.3135 14.3135 k =-0.1093 0.1894 0.9480 ( 2778 PWs) bands (ev): -25.0246 -25.0246 -7.9697 -7.9697 -6.9084 -6.9084 -6.7937 -6.7937 0.6675 0.6675 1.5715 1.5715 5.0881 5.0881 5.3698 5.3698 6.6120 6.6120 7.0584 7.0584 7.3466 7.3466 7.5937 7.5937 7.6707 7.6707 7.7425 7.7425 7.8075 7.8075 8.1211 8.1211 8.2814 8.2814 9.0246 9.0246 9.1896 9.1896 9.3469 9.3469 9.4637 9.4637 11.7399 11.7399 14.2559 14.2559 k =-0.1159 0.2007 0.9350 ( 2778 PWs) bands (ev): -25.0248 -25.0248 -7.9688 -7.9688 -6.9068 -6.9068 -6.7938 -6.7938 0.6696 0.6696 1.5316 1.5316 5.0995 5.0995 5.4235 5.4235 6.5981 6.5981 7.0459 7.0459 7.3414 7.3414 7.5852 7.5852 7.6684 7.6684 7.7411 7.7411 7.8209 7.8209 8.1108 8.1108 8.2778 8.2778 9.0408 9.0408 9.2215 9.2215 9.3648 9.3648 9.5154 9.5154 11.7640 11.7640 14.1929 14.1929 k =-0.1224 0.2120 0.9220 ( 2778 PWs) bands (ev): -25.0251 -25.0251 -7.9678 -7.9678 -6.9051 -6.9051 -6.7937 -6.7937 0.6709 0.6709 1.4918 1.4918 5.1090 5.1090 5.4783 5.4783 6.5865 6.5865 7.0330 7.0330 7.3358 7.3358 7.5763 7.5763 7.6661 7.6661 7.7392 7.7392 7.8355 7.8355 8.1016 8.1016 8.2739 8.2739 9.0547 9.0547 9.2602 9.2602 9.3826 9.3826 9.5702 9.5702 11.7929 11.7929 14.1266 14.1266 k =-0.1289 0.2233 0.9090 ( 2782 PWs) bands (ev): -25.0254 -25.0254 -7.9669 -7.9669 -6.9034 -6.9034 -6.7935 -6.7935 0.6717 0.6717 1.4521 1.4521 5.1163 5.1163 5.5339 5.5339 6.5772 6.5772 7.0197 7.0197 7.3299 7.3299 7.5672 7.5672 7.6640 7.6640 7.7371 7.7371 7.8506 7.8506 8.0935 8.0935 8.2696 8.2696 9.0677 9.0677 9.3039 9.3039 9.4007 9.4007 9.6284 9.6284 11.8264 11.8264 14.0588 14.0588 k =-0.1354 0.2345 0.8959 ( 2781 PWs) bands (ev): -25.0257 -25.0257 -7.9659 -7.9659 -6.9018 -6.9018 -6.7930 -6.7930 0.6719 0.6719 1.4128 1.4128 5.1213 5.1213 5.5900 5.5900 6.5705 6.5705 7.0061 7.0061 7.3235 7.3235 7.5577 7.5577 7.6624 7.6624 7.7348 7.7348 7.8659 7.8659 8.0866 8.0866 8.2650 8.2650 9.0809 9.0809 9.3505 9.3505 9.4199 9.4199 9.6901 9.6901 11.8644 11.8644 13.9908 13.9908 k =-0.1419 0.2458 0.8829 ( 2781 PWs) bands (ev): -25.0260 -25.0260 -7.9649 -7.9649 -6.9002 -6.9002 -6.7924 -6.7924 0.6716 0.6716 1.3742 1.3742 5.1239 5.1239 5.6462 5.6462 6.5664 6.5664 6.9923 6.9923 7.3166 7.3166 7.5480 7.5480 7.6613 7.6613 7.7325 7.7325 7.8812 7.8812 8.0808 8.0808 8.2602 8.2602 9.0953 9.0953 9.3958 9.3958 9.4433 9.4433 9.7555 9.7555 11.9068 11.9068 13.9240 13.9240 k =-0.1484 0.2571 0.8699 ( 2785 PWs) bands (ev): -25.0263 -25.0263 -7.9639 -7.9639 -6.8988 -6.8988 -6.7916 -6.7916 0.6709 0.6709 1.3362 1.3362 5.1240 5.1240 5.7024 5.7024 6.5647 6.5647 6.9783 6.9783 7.3090 7.3090 7.5381 7.5381 7.6608 7.6608 7.7303 7.7303 7.8961 7.8961 8.0762 8.0762 8.2550 8.2550 9.1115 9.1115 9.4304 9.4304 9.4796 9.4796 9.8249 9.8249 11.9536 11.9536 13.8591 13.8591 k =-0.1549 0.2684 0.8569 ( 2785 PWs) bands (ev): -25.0266 -25.0266 -7.9629 -7.9629 -6.8975 -6.8975 -6.7905 -6.7905 0.6697 0.6697 1.2992 1.2992 5.1218 5.1218 5.7582 5.7582 6.5655 6.5655 6.9644 6.9644 7.3006 7.3006 7.5285 7.5285 7.6610 7.6610 7.7281 7.7281 7.9103 7.9103 8.0728 8.0728 8.2493 8.2493 9.1302 9.1302 9.4530 9.4530 9.5293 9.5293 9.8985 9.8985 12.0045 12.0045 13.7970 13.7970 k =-0.1614 0.2797 0.8438 ( 2784 PWs) bands (ev): -25.0269 -25.0269 -7.9619 -7.9619 -6.8964 -6.8964 -6.7892 -6.7892 0.6681 0.6681 1.2632 1.2632 5.1173 5.1173 5.8135 5.8135 6.5684 6.5684 6.9505 6.9505 7.2912 7.2912 7.5191 7.5191 7.6619 7.6619 7.7262 7.7262 7.9236 7.9236 8.0707 8.0707 8.2431 8.2431 9.1518 9.1518 9.4709 9.4709 9.5844 9.5844 9.9764 9.9764 12.0595 12.0595 13.7383 13.7383 k =-0.1679 0.2909 0.8308 ( 2784 PWs) bands (ev): -25.0272 -25.0272 -7.9610 -7.9610 -6.8955 -6.8955 -6.7876 -6.7876 0.6663 0.6663 1.2284 1.2284 5.1106 5.1106 5.8681 5.8681 6.5734 6.5734 6.9370 6.9370 7.2807 7.2807 7.5103 7.5103 7.6632 7.6632 7.7246 7.7246 7.9355 7.9355 8.0698 8.0698 8.2363 8.2363 9.1767 9.1767 9.4870 9.4870 9.6414 9.6414 10.0587 10.0587 12.1184 12.1184 13.6835 13.6835 k =-0.1745 0.3022 0.8178 ( 2786 PWs) bands (ev): -25.0275 -25.0275 -7.9600 -7.9600 -6.8947 -6.8947 -6.7858 -6.7858 0.6641 0.6641 1.1948 1.1948 5.1021 5.1021 5.9217 5.9217 6.5801 6.5801 6.9237 6.9237 7.2690 7.2690 7.5024 7.5024 7.6649 7.6649 7.7235 7.7235 7.9459 7.9459 8.0702 8.0702 8.2290 8.2290 9.2050 9.2050 9.5022 9.5022 9.6989 9.6989 10.1457 10.1457 12.1810 12.1810 13.6329 13.6329 k =-0.1810 0.3135 0.8048 ( 2778 PWs) bands (ev): -25.0278 -25.0278 -7.9591 -7.9591 -6.8942 -6.8942 -6.7838 -6.7838 0.6618 0.6618 1.1625 1.1625 5.0919 5.0919 5.9743 5.9743 6.5881 6.5881 6.9108 6.9108 7.2559 7.2559 7.4954 7.4954 7.6667 7.6667 7.7235 7.7235 7.9545 7.9545 8.0720 8.0720 8.2211 8.2211 9.2371 9.2371 9.5166 9.5166 9.7561 9.7561 10.2372 10.2372 12.2473 12.2473 13.5869 13.5869 k =-0.1875 0.3248 0.7918 ( 2774 PWs) bands (ev): -25.0282 -25.0282 -7.9583 -7.9583 -6.8938 -6.8938 -6.7816 -6.7816 0.6593 0.6593 1.1317 1.1317 5.0803 5.0803 6.0257 6.0257 6.5972 6.5972 6.8984 6.8984 7.2414 7.2414 7.4898 7.4898 7.6679 7.6679 7.7247 7.7247 7.9611 7.9611 8.0749 8.0749 8.2126 8.2126 9.2729 9.2729 9.5303 9.5303 9.8124 9.8124 10.3335 10.3335 12.3172 12.3172 13.5456 13.5456 k =-0.1940 0.3361 0.7787 ( 2770 PWs) bands (ev): -25.0285 -25.0285 -7.9574 -7.9574 -6.8935 -6.8935 -6.7793 -6.7793 0.6567 0.6567 1.1025 1.1025 5.0677 5.0677 6.0757 6.0757 6.6070 6.6070 6.8867 6.8867 7.2255 7.2255 7.4854 7.4854 7.6682 7.6682 7.7277 7.7277 7.9660 7.9660 8.0787 8.0787 8.2035 8.2035 9.3127 9.3127 9.5434 9.5434 9.8671 9.8671 10.4343 10.4343 12.3903 12.3903 13.5091 13.5091 k =-0.2005 0.3473 0.7657 ( 2768 PWs) bands (ev): -25.0287 -25.0287 -7.9567 -7.9567 -6.8934 -6.8934 -6.7768 -6.7768 0.6540 0.6540 1.0748 1.0748 5.0544 5.0544 6.1242 6.1242 6.6172 6.6172 6.8758 6.8758 7.2082 7.2082 7.4824 7.4824 7.6673 7.6673 7.7326 7.7326 7.9691 7.9691 8.0829 8.0829 8.1939 8.1939 9.3561 9.3561 9.5560 9.5560 9.9197 9.9197 10.5396 10.5396 12.4667 12.4667 13.4770 13.4770 k =-0.2070 0.3586 0.7527 ( 2770 PWs) bands (ev): -25.0290 -25.0290 -7.9559 -7.9559 -6.8935 -6.8935 -6.7742 -6.7742 0.6512 0.6512 1.0488 1.0488 5.0405 5.0405 6.1711 6.1711 6.6274 6.6274 6.8656 6.8656 7.1899 7.1899 7.4807 7.4807 7.6651 7.6651 7.7394 7.7394 7.9709 7.9709 8.0871 8.0871 8.1840 8.1840 9.4030 9.4030 9.5680 9.5680 9.9695 9.9695 10.6492 10.6492 12.5460 12.5460 13.4480 13.4480 k =-0.2135 0.3699 0.7397 ( 2774 PWs) bands (ev): -25.0293 -25.0293 -7.9553 -7.9553 -6.8937 -6.8937 -6.7717 -6.7717 0.6485 0.6485 1.0245 1.0245 5.0265 5.0265 6.2163 6.2163 6.6374 6.6374 6.8564 6.8564 7.1705 7.1705 7.4801 7.4801 7.6618 7.6618 7.7480 7.7480 7.9716 7.9716 8.0908 8.0908 8.1741 8.1741 9.4528 9.4528 9.5797 9.5797 10.0160 10.0160 10.7630 10.7630 12.6282 12.6282 13.4185 13.4185 k =-0.2200 0.3812 0.7266 ( 2771 PWs) bands (ev): -25.0296 -25.0296 -7.9546 -7.9546 -6.8939 -6.8939 -6.7691 -6.7691 0.6459 0.6459 1.0019 1.0019 5.0126 5.0126 6.2597 6.2597 6.6470 6.6470 6.8482 6.8482 7.1505 7.1505 7.4807 7.4807 7.6577 7.6577 7.7579 7.7579 7.9715 7.9715 8.0933 8.0933 8.1646 8.1646 9.5045 9.5045 9.5918 9.5918 10.0585 10.0585 10.8807 10.8807 12.7128 12.7128 13.3776 13.3776 k =-0.2265 0.3925 0.7136 ( 2773 PWs) bands (ev): -25.0298 -25.0298 -7.9541 -7.9541 -6.8942 -6.8942 -6.7666 -6.7666 0.6433 0.6433 0.9812 0.9812 4.9991 4.9991 6.3012 6.3012 6.6557 6.6557 6.8411 6.8411 7.1298 7.1298 7.4823 7.4823 7.6528 7.6528 7.7691 7.7691 7.9709 7.9709 8.0939 8.0939 8.1562 8.1562 9.5546 9.5546 9.6075 9.6075 10.0965 10.0965 11.0018 11.0018 12.7996 12.7996 13.3139 13.3139 k =-0.2331 0.4037 0.7006 ( 2776 PWs) bands (ev): -25.0300 -25.0300 -7.9536 -7.9536 -6.8945 -6.8945 -6.7641 -6.7641 0.6409 0.6409 0.9624 0.9624 4.9861 4.9861 6.3405 6.3405 6.6636 6.6636 6.8351 6.8351 7.1090 7.1090 7.4847 7.4847 7.6474 7.6474 7.7811 7.7811 7.9699 7.9699 8.0915 8.0915 8.1497 8.1497 9.5891 9.5891 9.6397 9.6397 10.1294 10.1294 11.1259 11.1259 12.8879 12.8879 13.2355 13.2355 k =-0.2396 0.4150 0.6876 ( 2774 PWs) bands (ev): -25.0302 -25.0302 -7.9531 -7.9531 -6.8949 -6.8949 -6.7619 -6.7619 0.6387 0.6387 0.9454 0.9454 4.9740 4.9740 6.3777 6.3777 6.6704 6.6704 6.8303 6.8303 7.0882 7.0882 7.4878 7.4878 7.6417 7.6417 7.7939 7.7939 7.9687 7.9687 8.0860 8.0860 8.1456 8.1456 9.6043 9.6043 9.6918 9.6918 10.1566 10.1566 11.2523 11.2523 12.9768 12.9768 13.1541 13.1541 k =-0.2461 0.4263 0.6745 ( 2776 PWs) bands (ev): -25.0304 -25.0304 -7.9527 -7.9527 -6.8953 -6.8953 -6.7598 -6.7598 0.6366 0.6366 0.9304 0.9304 4.9628 4.9628 6.4123 6.4123 6.6761 6.6761 6.8266 6.8266 7.0676 7.0676 7.4915 7.4915 7.6359 7.6359 7.8069 7.8069 7.9674 7.9674 8.0775 8.0775 8.1437 8.1437 9.6135 9.6135 9.7495 9.7495 10.1777 10.1777 11.3803 11.3803 13.0606 13.0606 13.0792 13.0792 k =-0.2526 0.4376 0.6615 ( 2779 PWs) bands (ev): -25.0306 -25.0306 -7.9524 -7.9524 -6.8956 -6.8956 -6.7579 -6.7579 0.6348 0.6348 0.9173 0.9173 4.9528 4.9528 6.4441 6.4441 6.6806 6.6806 6.8239 6.8239 7.0479 7.0479 7.4955 7.4955 7.6300 7.6300 7.8201 7.8201 7.9660 7.9660 8.0672 8.0672 8.1433 8.1433 9.6204 9.6204 9.8082 9.8082 10.1921 10.1921 11.5084 11.5084 13.0001 13.0001 13.1491 13.1491 k =-0.2591 0.4488 0.6485 ( 2775 PWs) bands (ev): -25.0307 -25.0307 -7.9521 -7.9521 -6.8959 -6.8959 -6.7562 -6.7562 0.6332 0.6332 0.9062 0.9062 4.9440 4.9440 6.4727 6.4727 6.6842 6.6842 6.8222 6.8222 7.0293 7.0293 7.4997 7.4997 7.6244 7.6244 7.8330 7.8330 7.9648 7.9648 8.0561 8.0561 8.1436 8.1436 9.6261 9.6261 9.8659 9.8659 10.1996 10.1996 11.6349 11.6349 12.9341 12.9341 13.2177 13.2177 k =-0.2656 0.4601 0.6355 ( 2777 PWs) bands (ev): -25.0308 -25.0308 -7.9518 -7.9518 -6.8962 -6.8962 -6.7548 -6.7548 0.6318 0.6318 0.8971 0.8971 4.9367 4.9367 6.4976 6.4976 6.6868 6.6868 6.8211 6.8211 7.0124 7.0124 7.5037 7.5037 7.6192 7.6192 7.8451 7.8451 7.9637 7.9637 8.0450 8.0450 8.1441 8.1441 9.6305 9.6305 9.9211 9.9211 10.2001 10.2001 11.7567 11.7567 12.8772 12.8772 13.2455 13.2455 k =-0.2721 0.4714 0.6225 ( 2777 PWs) bands (ev): -25.0309 -25.0309 -7.9516 -7.9516 -6.8964 -6.8964 -6.7537 -6.7537 0.6308 0.6308 0.8900 0.8900 4.9309 4.9309 6.5181 6.5181 6.6887 6.6887 6.8205 6.8205 6.9980 6.9980 7.5071 7.5071 7.6148 7.6148 7.8559 7.8559 7.9628 7.9628 8.0350 8.0350 8.1447 8.1447 9.6340 9.6340 9.9725 9.9725 10.1936 10.1936 11.8691 11.8691 12.8313 12.8313 13.2059 13.2059 k =-0.2786 0.4827 0.6094 ( 2775 PWs) bands (ev): -25.0310 -25.0310 -7.9515 -7.9515 -6.8966 -6.8966 -6.7529 -6.7529 0.6300 0.6300 0.8849 0.8849 4.9267 4.9267 6.5337 6.5337 6.6900 6.6900 6.8203 6.8203 6.9868 6.9868 7.5099 7.5099 7.6115 7.6115 7.8643 7.8643 7.9621 7.9621 8.0269 8.0269 8.1452 8.1452 9.6365 9.6365 10.0178 10.0178 10.1813 10.1813 11.9643 11.9643 12.7977 12.7977 13.1335 13.1335 k =-0.2851 0.4940 0.5964 ( 2768 PWs) bands (ev): -25.0310 -25.0310 -7.9514 -7.9514 -6.8967 -6.8967 -6.7524 -6.7524 0.6296 0.6296 0.8819 0.8819 4.9242 4.9242 6.5435 6.5435 6.6908 6.6908 6.8202 6.8202 6.9795 6.9795 7.5116 7.5116 7.6097 7.6097 7.8696 7.8696 7.9616 7.9616 8.0219 8.0219 8.1455 8.1455 9.6379 9.6379 10.0530 10.0530 10.1664 10.1664 12.0305 12.0305 12.7772 12.7772 13.0733 13.0733 k =-0.2917 0.5052 0.5834 ( 2770 PWs) bands (ev): -25.0310 -25.0310 -7.9514 -7.9514 -6.8967 -6.8967 -6.7522 -6.7522 0.6294 0.6294 0.8809 0.8809 4.9233 4.9233 6.5471 6.5471 6.6911 6.6911 6.8201 6.8201 6.9767 6.9767 7.5119 7.5119 7.6094 7.6094 7.8708 7.8708 7.9613 7.9613 8.0207 8.0207 8.1456 8.1456 9.6385 9.6385 10.0675 10.0675 10.1588 10.1588 12.0545 12.0545 12.7703 12.7703 13.0504 13.0504 k =-0.2917 0.5052 0.5834 ( 2770 PWs) bands (ev): -25.0310 -25.0310 -7.9514 -7.9514 -6.8967 -6.8967 -6.7522 -6.7522 0.6294 0.6294 0.8809 0.8809 4.9233 4.9233 6.5471 6.5471 6.6911 6.6911 6.8201 6.8201 6.9767 6.9767 7.5119 7.5119 7.6094 7.6094 7.8708 7.8708 7.9613 7.9613 8.0207 8.0207 8.1456 8.1456 9.6385 9.6385 10.0675 10.0675 10.1588 10.1588 12.0545 12.0545 12.7703 12.7703 13.0504 13.0504 k =-0.2850 0.4938 0.5701 ( 2772 PWs) bands (ev): -25.0309 -25.0309 -7.9524 -7.9524 -6.8988 -6.8988 -6.7511 -6.7511 0.6036 0.6036 0.9328 0.9328 4.9110 4.9110 6.5422 6.5422 6.6947 6.6947 6.8048 6.8048 6.9874 6.9874 7.5064 7.5064 7.6314 7.6314 7.8586 7.8586 7.9558 7.9558 7.9988 7.9988 8.1455 8.1455 9.5665 9.5665 10.0815 10.0815 10.1064 10.1064 11.9573 11.9573 12.8597 12.8597 13.0164 13.0164 k =-0.2784 0.4823 0.5569 ( 2766 PWs) bands (ev): -25.0308 -25.0308 -7.9532 -7.9532 -6.9004 -6.9004 -6.7500 -6.7500 0.5739 0.5739 0.9855 0.9855 4.9048 4.9048 6.5380 6.5380 6.6951 6.6951 6.7905 6.7905 6.9986 6.9986 7.4990 7.4990 7.6543 7.6543 7.8470 7.8470 7.9514 7.9514 7.9786 7.9786 8.1472 8.1472 9.4966 9.4966 10.0278 10.0278 10.1255 10.1255 11.8593 11.8593 12.9486 12.9486 12.9858 12.9858 k =-0.2718 0.4708 0.5436 ( 2758 PWs) bands (ev): -25.0307 -25.0307 -7.9539 -7.9539 -6.9017 -6.9017 -6.7491 -6.7491 0.5405 0.5405 1.0386 1.0386 4.9043 4.9043 6.5346 6.5346 6.6919 6.6919 6.7772 6.7772 7.0101 7.0101 7.4904 7.4904 7.6775 7.6775 7.8361 7.8361 7.9455 7.9455 7.9632 7.9632 8.1504 8.1504 9.4285 9.4285 9.9701 9.9701 10.1525 10.1525 11.7610 11.7610 12.9553 12.9553 13.0398 13.0398 k =-0.2651 0.4593 0.5303 ( 2764 PWs) bands (ev): -25.0306 -25.0306 -7.9543 -7.9543 -6.9026 -6.9026 -6.7482 -6.7482 0.5036 0.5036 1.0920 1.0920 4.9096 4.9096 6.5319 6.5319 6.6849 6.6849 6.7646 6.7646 7.0220 7.0220 7.4809 7.4809 7.7008 7.7008 7.8254 7.8254 7.9330 7.9330 7.9580 7.9580 8.1552 8.1552 9.3624 9.3624 9.9158 9.9158 10.1802 10.1802 11.6627 11.6627 12.9300 12.9300 13.1274 13.1274 k =-0.2585 0.4478 0.5171 ( 2764 PWs) bands (ev): -25.0305 -25.0305 -7.9545 -7.9545 -6.9031 -6.9031 -6.7475 -6.7475 0.4633 0.4633 1.1456 1.1456 4.9203 4.9203 6.5301 6.5301 6.6739 6.6739 6.7531 6.7531 7.0342 7.0342 7.4711 7.4711 7.7238 7.7238 7.8149 7.8149 7.9191 7.9191 7.9590 7.9590 8.1616 8.1616 9.2981 9.2981 9.8653 9.8653 10.2086 10.2086 11.5647 11.5647 12.9076 12.9076 13.2125 13.2125 k =-0.2519 0.4363 0.5038 ( 2766 PWs) bands (ev): -25.0305 -25.0305 -7.9544 -7.9544 -6.9032 -6.9032 -6.7469 -6.7469 0.4200 0.4200 1.1994 1.1994 4.9360 4.9360 6.5292 6.5292 6.6592 6.6592 6.7424 6.7424 7.0468 7.0468 7.4612 7.4612 7.7452 7.7452 7.8047 7.8047 7.9082 7.9082 7.9624 7.9624 8.1693 8.1693 9.2358 9.2358 9.8187 9.8187 10.2377 10.2377 11.4671 11.4671 12.8883 12.8883 13.2930 13.2930 k =-0.2453 0.4249 0.4906 ( 2772 PWs) bands (ev): -25.0305 -25.0305 -7.9542 -7.9542 -6.9028 -6.9028 -6.7463 -6.7463 0.3739 0.3739 1.2530 1.2530 4.9564 4.9564 6.5293 6.5293 6.6410 6.6410 6.7326 6.7326 7.0598 7.0598 7.4515 7.4515 7.7597 7.7597 7.7992 7.7992 7.9020 7.9020 7.9673 7.9673 8.1784 8.1784 9.1753 9.1753 9.7761 9.7761 10.2676 10.2676 11.3702 11.3702 12.8722 12.8722 13.3664 13.3664 k =-0.2386 0.4134 0.4773 ( 2772 PWs) bands (ev): -25.0306 -25.0306 -7.9537 -7.9537 -6.9021 -6.9021 -6.7460 -6.7460 0.3253 0.3253 1.3064 1.3064 4.9809 4.9809 6.5300 6.5300 6.6200 6.6200 6.7239 6.7239 7.0731 7.0731 7.4421 7.4421 7.7562 7.7562 7.8093 7.8093 7.9008 7.9008 7.9738 7.9738 8.1889 8.1889 9.1167 9.1167 9.7373 9.7373 10.2984 10.2984 11.2741 11.2741 12.8591 12.8591 13.4292 13.4292 k =-0.2320 0.4019 0.4641 ( 2772 PWs) bands (ev): -25.0307 -25.0307 -7.9531 -7.9531 -6.9010 -6.9010 -6.7457 -6.7457 0.2744 0.2744 1.3593 1.3593 5.0091 5.0091 6.5307 6.5307 6.5974 6.5974 6.7162 6.7162 7.0869 7.0869 7.4336 7.4336 7.7409 7.7409 7.8290 7.8290 7.9043 7.9043 7.9815 7.9815 8.2006 8.2006 9.0599 9.0599 9.7025 9.7025 10.3302 10.3302 11.1791 11.1791 12.8491 12.8491 13.4779 13.4779 k =-0.2254 0.3904 0.4508 ( 2774 PWs) bands (ev): -25.0308 -25.0308 -7.9522 -7.9522 -6.8995 -6.8995 -6.7455 -6.7455 0.2217 0.2217 1.4117 1.4117 5.0401 5.0401 6.5282 6.5282 6.5772 6.5772 6.7095 6.7095 7.1009 7.1009 7.4259 7.4259 7.7217 7.7217 7.8506 7.8506 7.9122 7.9122 7.9901 7.9901 8.2135 8.2135 9.0050 9.0050 9.6716 9.6716 10.3631 10.3631 11.0850 11.0850 12.8421 12.8421 13.5091 13.5091 k =-0.2187 0.3789 0.4375 ( 2782 PWs) bands (ev): -25.0309 -25.0309 -7.9510 -7.9510 -6.8976 -6.8976 -6.7455 -6.7455 0.1675 0.1675 1.4634 1.4634 5.0735 5.0735 6.5150 6.5150 6.5676 6.5676 6.7039 6.7039 7.1153 7.1153 7.4192 7.4192 7.7007 7.7007 7.8720 7.8720 7.9239 7.9239 7.9997 7.9997 8.2275 8.2275 8.9518 8.9518 9.6446 9.6446 10.3972 10.3972 10.9922 10.9922 12.8381 12.8381 13.5211 13.5211 k =-0.2121 0.3675 0.4243 ( 2774 PWs) bands (ev): -25.0310 -25.0310 -7.9497 -7.9497 -6.8953 -6.8953 -6.7456 -6.7456 0.1119 0.1119 1.5142 1.5142 5.1084 5.1084 6.4910 6.4910 6.5700 6.5700 6.6993 6.6993 7.1300 7.1300 7.4136 7.4136 7.6789 7.6789 7.8929 7.8929 7.9391 7.9391 8.0103 8.0103 8.2427 8.2427 8.9007 8.9007 9.6214 9.6214 10.4326 10.4326 10.9007 10.9007 12.8370 12.8370 13.5140 13.5140 k =-0.2055 0.3560 0.4110 ( 2778 PWs) bands (ev): -25.0312 -25.0312 -7.9482 -7.9482 -6.8926 -6.8926 -6.7457 -6.7457 0.0554 0.0554 1.5639 1.5639 5.1441 5.1441 6.4628 6.4628 6.5784 6.5784 6.6958 6.6958 7.1450 7.1450 7.4091 7.4091 7.6565 7.6565 7.9128 7.9128 7.9571 7.9571 8.0215 8.0215 8.2587 8.2587 8.8513 8.8513 9.6021 9.6021 10.4694 10.4694 10.8104 10.8104 12.8386 12.8386 13.4893 13.4893 k =-0.1989 0.3445 0.3978 ( 2774 PWs) bands (ev): -25.0314 -25.0314 -7.9466 -7.9466 -6.8896 -6.8896 -6.7460 -6.7460 -0.0018 -0.0018 1.6125 1.6125 5.1795 5.1795 6.4341 6.4341 6.5904 6.5904 6.6933 6.6933 7.1603 7.1603 7.4058 7.4058 7.6340 7.6340 7.9323 7.9323 7.9771 7.9771 8.0335 8.0335 8.2755 8.2755 8.8039 8.8039 9.5867 9.5867 10.5075 10.5075 10.7217 10.7217 12.8430 12.8430 13.4492 13.4492 k =-0.1922 0.3330 0.3845 ( 2782 PWs) bands (ev): -25.0316 -25.0316 -7.9447 -7.9447 -6.8862 -6.8862 -6.7464 -6.7464 -0.0595 -0.0595 1.6597 1.6597 5.2137 5.2137 6.4067 6.4067 6.6050 6.6050 6.6919 6.6919 7.1758 7.1758 7.4037 7.4037 7.6113 7.6113 7.9515 7.9515 7.9980 7.9980 8.0463 8.0463 8.2930 8.2930 8.7584 8.7584 9.5753 9.5753 10.5467 10.5467 10.6347 10.6347 12.8501 12.8501 13.3962 13.3962 k =-0.1856 0.3215 0.3712 ( 2796 PWs) bands (ev): -25.0319 -25.0319 -7.9427 -7.9427 -6.8825 -6.8825 -6.7469 -6.7469 -0.1173 -0.1173 1.7053 1.7053 5.2456 5.2456 6.3820 6.3820 6.6220 6.6220 6.6919 6.6919 7.1915 7.1915 7.4028 7.4028 7.5886 7.5886 7.9707 7.9707 8.0194 8.0194 8.0600 8.0600 8.3109 8.3109 8.7150 8.7150 9.5678 9.5678 10.5459 10.5459 10.5908 10.5908 12.8597 12.8597 13.3327 13.3327 k =-0.1790 0.3100 0.3580 ( 2792 PWs) bands (ev): -25.0321 -25.0321 -7.9406 -7.9406 -6.8784 -6.8784 -6.7475 -6.7475 -0.1750 -0.1750 1.7494 1.7494 5.2742 5.2742 6.3611 6.3611 6.6406 6.6406 6.6939 6.6939 7.2075 7.2075 7.4032 7.4032 7.5662 7.5662 7.9901 7.9901 8.0405 8.0405 8.0749 8.0749 8.3291 8.3291 8.6739 8.6739 9.5646 9.5646 10.4628 10.4628 10.6323 10.6323 12.8717 12.8717 13.2610 13.2610 k =-0.1723 0.2986 0.3447 ( 2792 PWs) bands (ev): -25.0324 -25.0324 -7.9384 -7.9384 -6.8740 -6.8740 -6.7481 -6.7481 -0.2323 -0.2323 1.7917 1.7917 5.2984 5.2984 6.3452 6.3452 6.6591 6.6591 6.6994 6.6994 7.2235 7.2235 7.4048 7.4048 7.5441 7.5441 8.0095 8.0095 8.0604 8.0604 8.0914 8.0914 8.3474 8.3474 8.6351 8.6351 9.5658 9.5658 10.3801 10.3801 10.6766 10.6766 12.8860 12.8860 13.1832 13.1832 k =-0.1657 0.2871 0.3315 ( 2792 PWs) bands (ev): -25.0327 -25.0327 -7.9360 -7.9360 -6.8693 -6.8693 -6.7489 -6.7489 -0.2891 -0.2891 1.8322 1.8322 5.3171 5.3171 6.3352 6.3352 6.6734 6.6734 6.7124 6.7124 7.2396 7.2396 7.4075 7.4075 7.5224 7.5224 8.0289 8.0289 8.0787 8.0787 8.1099 8.1099 8.3654 8.3654 8.5990 8.5990 9.5714 9.5714 10.2988 10.2988 10.7225 10.7225 12.9026 12.9026 13.1012 13.1012 k =-0.1591 0.2756 0.3182 ( 2792 PWs) bands (ev): -25.0330 -25.0330 -7.9336 -7.9336 -6.8644 -6.8644 -6.7497 -6.7497 -0.3451 -0.3451 1.8707 1.8707 5.3298 5.3298 6.3317 6.3317 6.6818 6.6818 6.7345 6.7345 7.2557 7.2557 7.4113 7.4113 7.5013 7.5013 8.0482 8.0482 8.0953 8.0953 8.1301 8.1301 8.3828 8.3828 8.5658 8.5658 9.5817 9.5817 10.2190 10.2190 10.7701 10.7701 12.9210 12.9210 13.0165 13.0165 k =-0.1525 0.2641 0.3049 ( 2796 PWs) bands (ev): -25.0333 -25.0333 -7.9312 -7.9312 -6.8593 -6.8593 -6.7505 -6.7505 -0.4002 -0.4002 1.9072 1.9072 5.3360 5.3360 6.3349 6.3349 6.6872 6.6872 6.7626 6.7626 7.2715 7.2715 7.4158 7.4158 7.4813 7.4813 8.0669 8.0669 8.1109 8.1109 8.1513 8.1513 8.3990 8.3990 8.5363 8.5363 9.5968 9.5968 10.1409 10.1409 10.8193 10.8193 12.9273 12.9273 12.9446 12.9446 k =-0.1458 0.2526 0.2917 ( 2796 PWs) bands (ev): -25.0337 -25.0337 -7.9287 -7.9287 -6.8539 -6.8539 -6.7514 -6.7514 -0.4542 -0.4542 1.9417 1.9417 5.3358 5.3358 6.3447 6.3447 6.6919 6.6919 6.7941 6.7941 7.2871 7.2871 7.4202 7.4202 7.4633 7.4633 8.0847 8.0847 8.1260 8.1260 8.1731 8.1731 8.4131 8.4131 8.5115 8.5115 9.6169 9.6169 10.0644 10.0644 10.8700 10.8700 12.8429 12.8429 12.9647 12.9647 k =-0.1392 0.2411 0.2784 ( 2792 PWs) bands (ev): -25.0340 -25.0340 -7.9261 -7.9261 -6.8483 -6.8483 -6.7523 -6.7523 -0.5069 -0.5069 1.9741 1.9741 5.3296 5.3296 6.3607 6.3607 6.6967 6.6967 6.8280 6.8280 7.3019 7.3019 7.4207 7.4207 7.4515 7.4515 8.1011 8.1011 8.1413 8.1413 8.1951 8.1951 8.4230 8.4230 8.4937 8.4937 9.6421 9.6421 9.9897 9.9897 10.9222 10.9222 12.7571 12.7571 12.9885 12.9885 k =-0.1326 0.2297 0.2652 ( 2790 PWs) bands (ev): -25.0344 -25.0344 -7.9236 -7.9236 -6.8426 -6.8426 -6.7533 -6.7533 -0.5581 -0.5581 2.0044 2.0044 5.3181 5.3181 6.3818 6.3818 6.7017 6.7017 6.8636 6.8636 7.3152 7.3152 7.4125 7.4125 7.4513 7.4513 8.1154 8.1154 8.1571 8.1571 8.2170 8.2170 8.4258 8.4258 8.4863 8.4863 9.6725 9.6725 9.9168 9.9168 10.9757 10.9757 12.6726 12.6726 13.0138 13.0138 k =-0.1259 0.2182 0.2519 ( 2790 PWs) bands (ev): -25.0347 -25.0347 -7.9211 -7.9211 -6.8368 -6.8368 -6.7543 -6.7543 -0.6077 -0.6077 2.0325 2.0325 5.3021 5.3021 6.4072 6.4072 6.7071 6.7071 6.9003 6.9003 7.3255 7.3255 7.4012 7.4012 7.4587 7.4587 8.1270 8.1270 8.1737 8.1737 8.2387 8.2387 8.4220 8.4220 8.4892 8.4892 9.7076 9.7076 9.8460 9.8460 11.0304 11.0304 12.5902 12.5902 13.0403 13.0403 k =-0.1193 0.2067 0.2387 ( 2790 PWs) bands (ev): -25.0350 -25.0350 -7.9186 -7.9186 -6.8310 -6.8310 -6.7552 -6.7552 -0.6556 -0.6556 2.0586 2.0586 5.2826 5.2826 6.4359 6.4359 6.7129 6.7129 6.9376 6.9376 7.3295 7.3295 7.3946 7.3946 7.4689 7.4689 8.1355 8.1355 8.1910 8.1910 8.2602 8.2602 8.4171 8.4171 8.4973 8.4973 9.7430 9.7430 9.7818 9.7818 11.0863 11.0863 12.5106 12.5106 13.0676 13.0676 k =-0.1127 0.1952 0.2254 ( 2780 PWs) bands (ev): -25.0354 -25.0354 -7.9162 -7.9162 -6.8251 -6.8251 -6.7562 -6.7562 -0.7016 -0.7016 2.0827 2.0827 5.2606 5.2606 6.4668 6.4668 6.7190 6.7190 6.9750 6.9750 7.3246 7.3246 7.3964 7.3964 7.4807 7.4807 8.1412 8.1412 8.2089 8.2089 8.2815 8.2815 8.4153 8.4153 8.5069 8.5069 9.7037 9.7037 9.7992 9.7992 11.1432 11.1432 12.4342 12.4342 13.0954 13.0954 k =-0.1061 0.1837 0.2121 ( 2780 PWs) bands (ev): -25.0357 -25.0357 -7.9138 -7.9138 -6.8193 -6.8193 -6.7571 -6.7571 -0.7456 -0.7456 2.1048 2.1048 5.2368 5.2368 6.4989 6.4989 6.7255 6.7255 7.0118 7.0118 7.3131 7.3131 7.4048 7.4048 7.4935 7.4935 8.1443 8.1443 8.2269 8.2269 8.3027 8.3027 8.4179 8.4179 8.5166 8.5166 9.6386 9.6386 9.8488 9.8488 11.2007 11.2007 12.3615 12.3615 13.1234 13.1234 k =-0.0994 0.1722 0.1989 ( 2778 PWs) bands (ev): -25.0361 -25.0361 -7.9115 -7.9115 -6.8135 -6.8135 -6.7580 -6.7580 -0.7876 -0.7876 2.1249 2.1249 5.2120 5.2120 6.5315 6.5315 6.7323 6.7323 7.0475 7.0475 7.2985 7.2985 7.4160 7.4160 7.5068 7.5068 8.1455 8.1455 8.2450 8.2450 8.3239 8.3239 8.4252 8.4252 8.5258 8.5258 9.5743 9.5743 9.9039 9.9039 11.2588 11.2588 12.2930 12.2930 13.1511 13.1511 k =-0.0928 0.1608 0.1856 ( 2780 PWs) bands (ev): -25.0364 -25.0364 -7.9093 -7.9093 -6.8079 -6.8079 -6.7589 -6.7589 -0.8273 -0.8273 2.1432 2.1432 5.1867 5.1867 6.5639 6.5639 6.7394 6.7394 7.0815 7.0815 7.2831 7.2831 7.4282 7.4282 7.5203 7.5203 8.1456 8.1456 8.2628 8.2628 8.3453 8.3453 8.4372 8.4372 8.5345 8.5345 9.5114 9.5114 9.9631 9.9631 11.3171 11.3171 12.2289 12.2289 13.1777 13.1777 k =-0.0862 0.1493 0.1724 ( 2776 PWs) bands (ev): -25.0367 -25.0367 -7.9072 -7.9072 -6.8024 -6.8024 -6.7597 -6.7597 -0.8647 -0.8647 2.1598 2.1598 5.1616 5.1616 6.5956 6.5956 6.7466 6.7466 7.1134 7.1134 7.2678 7.2678 7.4405 7.4405 7.5334 7.5334 8.1453 8.1453 8.2802 8.2802 8.3669 8.3669 8.4532 8.4532 8.5427 8.5427 9.4503 9.4503 10.0257 10.0257 11.3753 11.3753 12.1698 12.1698 13.2025 13.2025 k =-0.0795 0.1378 0.1591 ( 2776 PWs) bands (ev): -25.0370 -25.0370 -7.9053 -7.9053 -6.7972 -6.7972 -6.7604 -6.7604 -0.8997 -0.8997 2.1746 2.1746 5.1371 5.1371 6.6260 6.6260 6.7541 6.7541 7.1426 7.1426 7.2532 7.2532 7.4524 7.4524 7.5458 7.5458 8.1453 8.1453 8.2968 8.2968 8.3889 8.3889 8.4728 8.4728 8.5507 8.5507 9.3908 9.3908 10.0909 10.0909 11.4329 11.4329 12.1158 12.1158 13.2242 13.2242 k =-0.0729 0.1263 0.1458 ( 2781 PWs) bands (ev): -25.0373 -25.0373 -7.9034 -7.9034 -6.7923 -6.7923 -6.7609 -6.7609 -0.9322 -0.9322 2.1878 2.1878 5.1134 5.1134 6.6548 6.6548 6.7616 6.7616 7.1680 7.1680 7.2406 7.2406 7.4636 7.4636 7.5569 7.5569 8.1459 8.1459 8.3126 8.3126 8.4110 8.4110 8.4952 8.4952 8.5590 8.5590 9.3330 9.3330 10.1578 10.1578 11.4896 11.4896 12.0673 12.0673 13.2411 13.2411 k =-0.0663 0.1148 0.1326 ( 2777 PWs) bands (ev): -25.0375 -25.0375 -7.9017 -7.9017 -6.7878 -6.7878 -6.7613 -6.7613 -0.9622 -0.9622 2.1995 2.1995 5.0911 5.0911 6.6818 6.6818 6.7691 6.7691 7.1863 7.1863 7.2333 7.2333 7.4739 7.4739 7.5666 7.5666 8.1475 8.1475 8.3273 8.3273 8.4330 8.4330 8.5198 8.5198 8.5685 8.5685 9.2770 9.2770 10.2254 10.2254 11.5446 11.5446 12.0247 12.0247 13.2506 13.2506 k =-0.0597 0.1033 0.1193 ( 2781 PWs) bands (ev): -25.0378 -25.0378 -7.9001 -7.9001 -6.7839 -6.7839 -6.7615 -6.7615 -0.9895 -0.9895 2.2098 2.2098 5.0702 5.0702 6.7067 6.7067 6.7765 6.7765 7.1904 7.1904 7.2386 7.2386 7.4829 7.4829 7.5747 7.5747 8.1499 8.1499 8.3405 8.3405 8.4541 8.4541 8.5448 8.5448 8.5809 8.5809 9.2227 9.2227 10.2923 10.2923 11.5974 11.5974 11.9883 11.9883 13.2491 13.2491 k =-0.0530 0.0919 0.1061 ( 2783 PWs) bands (ev): -25.0380 -25.0380 -7.8987 -7.8987 -6.7805 -6.7805 -6.7613 -6.7613 -1.0141 -1.0141 2.2187 2.2187 5.0510 5.0510 6.7293 6.7293 6.7837 6.7837 7.1836 7.1836 7.2535 7.2535 7.4906 7.4906 7.5812 7.5812 8.1530 8.1530 8.3523 8.3523 8.4734 8.4734 8.5677 8.5677 8.5992 8.5992 9.1703 9.1703 10.3574 10.3574 11.6472 11.6472 11.9583 11.9583 13.2325 13.2325 k =-0.0464 0.0804 0.0928 ( 2793 PWs) bands (ev): -25.0382 -25.0382 -7.8975 -7.8975 -6.7778 -6.7778 -6.7608 -6.7608 -1.0360 -1.0360 2.2264 2.2264 5.0337 5.0337 6.7491 6.7491 6.7906 6.7906 7.1738 7.1738 7.2700 7.2700 7.4969 7.4969 7.5863 7.5863 8.1566 8.1566 8.3628 8.3628 8.4899 8.4899 8.5879 8.5879 8.6241 8.6241 9.1196 9.1196 10.4193 10.4193 11.6928 11.6928 11.9351 11.9351 13.1988 13.1988 k =-0.0398 0.0689 0.0796 ( 2797 PWs) bands (ev): -25.0384 -25.0384 -7.8963 -7.8963 -6.7758 -6.7758 -6.7599 -6.7599 -1.0551 -1.0551 2.2329 2.2329 5.0185 5.0185 6.7666 6.7666 6.7972 6.7972 7.1640 7.1640 7.2856 7.2856 7.5017 7.5017 7.5902 7.5902 8.1602 8.1602 8.3718 8.3718 8.5028 8.5028 8.6087 8.6087 8.6520 8.6520 9.0708 9.0708 10.4764 10.4764 11.7331 11.7331 11.9191 11.9191 13.1513 13.1513 k =-0.0331 0.0574 0.0663 ( 2801 PWs) bands (ev): -25.0385 -25.0385 -7.8954 -7.8954 -6.7745 -6.7745 -6.7587 -6.7587 -1.0713 -1.0713 2.2382 2.2382 5.0054 5.0054 6.7814 6.7814 6.8032 6.8032 7.1551 7.1551 7.2994 7.2994 7.5050 7.5050 7.5933 7.5933 8.1638 8.1638 8.3794 8.3794 8.5122 8.5122 8.6318 8.6318 8.6799 8.6799 9.0242 9.0242 10.5275 10.5275 11.7665 11.7665 11.9105 11.9105 13.0974 13.0974 k =-0.0265 0.0459 0.0530 ( 2797 PWs) bands (ev): -25.0387 -25.0387 -7.8946 -7.8946 -6.7737 -6.7737 -6.7575 -6.7575 -1.0846 -1.0846 2.2426 2.2426 4.9946 4.9946 6.7933 6.7933 6.8087 6.8087 7.1473 7.1473 7.3113 7.3113 7.5070 7.5070 7.5956 7.5956 8.1671 8.1671 8.3855 8.3855 8.5187 8.5187 8.6572 8.6572 8.7058 8.7058 8.9797 8.9797 10.5711 10.5711 11.7916 11.7916 11.9093 11.9093 13.0447 13.0447 k =-0.0199 0.0344 0.0398 ( 2793 PWs) bands (ev): -25.0388 -25.0388 -7.8940 -7.8940 -6.7732 -6.7732 -6.7563 -6.7563 -1.0950 -1.0950 2.2459 2.2459 4.9861 4.9861 6.8022 6.8022 6.8136 6.8136 7.1410 7.1410 7.3209 7.3209 7.5080 7.5080 7.5974 7.5974 8.1698 8.1698 8.3903 8.3903 8.5230 8.5230 8.6837 8.6837 8.7288 8.7288 8.9379 8.9379 10.6062 10.6062 11.8081 11.8081 11.9139 11.9139 12.9990 12.9990 k =-0.0133 0.0230 0.0265 ( 2781 PWs) bands (ev): -25.0388 -25.0388 -7.8936 -7.8936 -6.7730 -6.7730 -6.7554 -6.7554 -1.1024 -1.1024 2.2483 2.2483 4.9800 4.9800 6.8080 6.8080 6.8178 6.8178 7.1365 7.1365 7.3279 7.3279 7.5084 7.5084 7.5988 7.5988 8.1718 8.1718 8.3937 8.3937 8.5258 8.5258 8.7087 8.7087 8.7487 8.7487 8.8996 8.8996 10.6319 10.6319 11.8178 11.8178 11.9212 11.9212 12.9641 12.9641 k =-0.0066 0.0115 0.0133 ( 2767 PWs) bands (ev): -25.0389 -25.0389 -7.8933 -7.8933 -6.7729 -6.7729 -6.7549 -6.7549 -1.1069 -1.1069 2.2497 2.2497 4.9763 4.9763 6.8113 6.8113 6.8207 6.8207 7.1337 7.1337 7.3323 7.3323 7.5085 7.5085 7.5996 7.5996 8.1731 8.1731 8.3959 8.3959 8.5273 8.5273 8.7271 8.7271 8.7665 8.7665 8.8680 8.8680 10.6476 10.6476 11.8227 11.8227 11.9272 11.9272 12.9423 12.9423 k = 0.0000 0.0000 0.0000 ( 2751 PWs) bands (ev): -25.0389 -25.0389 -7.8932 -7.8932 -6.7728 -6.7728 -6.7547 -6.7547 -1.1084 -1.1084 2.2502 2.2502 4.9751 4.9751 6.8125 6.8125 6.8219 6.8219 7.1328 7.1328 7.3340 7.3340 7.5085 7.5085 7.5999 7.5999 8.1737 8.1737 8.3965 8.3965 8.5277 8.5277 8.7337 8.7337 8.7761 8.7761 8.8535 8.8535 10.6528 10.6528 11.8242 11.8242 11.9294 11.9294 12.9350 12.9350 k = 0.0000 0.0000 0.0000 ( 2751 PWs) bands (ev): -25.0389 -25.0389 -7.8932 -7.8932 -6.7728 -6.7728 -6.7547 -6.7547 -1.1084 -1.1084 2.2502 2.2502 4.9751 4.9751 6.8125 6.8125 6.8219 6.8219 7.1328 7.1328 7.3340 7.3340 7.5085 7.5085 7.5999 7.5999 8.1737 8.1737 8.3965 8.3965 8.5277 8.5277 8.7337 8.7337 8.7761 8.7761 8.8535 8.8535 10.6528 10.6528 11.8242 11.8242 11.9294 11.9294 12.9350 12.9350 k = 0.0161 0.0093-0.0000 ( 2759 PWs) bands (ev): -25.0389 -25.0389 -7.8933 -7.8933 -6.7729 -6.7729 -6.7547 -6.7547 -1.1068 -1.1068 2.2456 2.2456 4.9793 4.9793 6.8123 6.8123 6.8217 6.8217 7.1328 7.1328 7.3331 7.3331 7.5080 7.5080 7.5994 7.5994 8.1725 8.1725 8.3965 8.3965 8.5300 8.5300 8.7342 8.7342 8.7766 8.7766 8.8535 8.8535 10.6534 10.6534 11.8263 11.8263 11.9316 11.9316 12.9383 12.9383 k = 0.0323 0.0186-0.0000 ( 2776 PWs) bands (ev): -25.0389 -25.0389 -7.8934 -7.8934 -6.7733 -6.7733 -6.7547 -6.7547 -1.1022 -1.1022 2.2316 2.2316 4.9919 4.9919 6.8121 6.8121 6.8216 6.8216 7.1329 7.1329 7.3305 7.3305 7.5066 7.5066 7.5980 7.5980 8.1692 8.1692 8.3966 8.3966 8.5365 8.5365 8.7357 8.7357 8.7780 8.7780 8.8534 8.8534 10.6552 10.6552 11.8329 11.8329 11.9380 11.9380 12.9482 12.9482 k = 0.0484 0.0279-0.0000 ( 2788 PWs) bands (ev): -25.0389 -25.0389 -7.8936 -7.8936 -6.7738 -6.7738 -6.7547 -6.7547 -1.0946 -1.0946 2.2089 2.2089 5.0123 5.0123 6.8119 6.8119 6.8216 6.8216 7.1329 7.1329 7.3265 7.3265 7.5043 7.5043 7.5957 7.5957 8.1638 8.1638 8.3965 8.3965 8.5475 8.5475 8.7383 8.7383 8.7804 8.7804 8.8535 8.8535 10.6582 10.6582 11.8438 11.8438 11.9487 11.9487 12.9648 12.9648 k = 0.0645 0.0372-0.0000 ( 2804 PWs) bands (ev): -25.0389 -25.0389 -7.8938 -7.8938 -6.7745 -6.7745 -6.7547 -6.7547 -1.0839 -1.0839 2.1777 2.1777 5.0400 5.0400 6.8115 6.8115 6.8215 6.8215 7.1331 7.1331 7.3208 7.3208 7.5013 7.5013 7.5927 7.5927 8.1562 8.1562 8.3966 8.3966 8.5629 8.5629 8.7421 8.7421 8.7837 8.7837 8.8533 8.8533 10.6622 10.6622 11.8589 11.8589 11.9636 11.9636 12.9879 12.9879 k = 0.0806 0.0466-0.0000 ( 2804 PWs) bands (ev): -25.0389 -25.0389 -7.8941 -7.8941 -6.7754 -6.7754 -6.7547 -6.7547 -1.0702 -1.0702 2.1389 2.1389 5.0739 5.0739 6.8112 6.8112 6.8215 6.8215 7.1334 7.1334 7.3143 7.3143 7.4974 7.4974 7.5888 7.5888 8.1469 8.1469 8.3967 8.3967 8.5826 8.5826 8.7471 8.7471 8.7880 8.7880 8.8534 8.8534 10.6673 10.6673 11.8783 11.8783 11.9826 11.9826 13.0177 13.0177 k = 0.0968 0.0559-0.0000 ( 2804 PWs) bands (ev): -25.0388 -25.0388 -7.8945 -7.8945 -6.7765 -6.7765 -6.7548 -6.7548 -1.0534 -1.0534 2.0932 2.0932 5.1131 5.1131 6.8107 6.8107 6.8214 6.8214 7.1338 7.1338 7.3069 7.3069 7.4928 7.4928 7.5843 7.5843 8.1359 8.1359 8.3968 8.3968 8.6065 8.6065 8.7537 8.7537 8.7932 8.7932 8.8535 8.8535 10.6731 10.6731 11.9018 11.9018 12.0057 12.0057 13.0539 13.0539 k = 0.1129 0.0652-0.0000 ( 2792 PWs) bands (ev): -25.0388 -25.0388 -7.8949 -7.8949 -6.7777 -6.7777 -6.7548 -6.7548 -1.0338 -1.0338 2.0414 2.0414 5.1564 5.1564 6.8104 6.8104 6.8216 6.8216 7.1343 7.1343 7.2990 7.2990 7.4874 7.4874 7.5790 7.5790 8.1237 8.1237 8.3968 8.3968 8.6341 8.6341 8.7623 8.7623 8.7992 8.7992 8.8538 8.8538 10.6798 10.6798 11.9292 11.9292 12.0326 12.0326 13.0966 13.0966 k = 0.1290 0.0745-0.0000 ( 2792 PWs) bands (ev): -25.0388 -25.0388 -7.8954 -7.8954 -6.7792 -6.7792 -6.7549 -6.7549 -1.0112 -1.0112 1.9842 1.9842 5.2026 5.2026 6.8098 6.8098 6.8215 6.8215 7.1347 7.1347 7.2908 7.2908 7.4814 7.4814 7.5730 7.5730 8.1097 8.1097 8.3970 8.3970 8.6645 8.6645 8.7739 8.7739 8.8060 8.8060 8.8542 8.8542 10.6870 10.6870 11.9604 11.9604 12.0632 12.0632 13.1306 13.1306 k = 0.1452 0.0838-0.0000 ( 2784 PWs) bands (ev): -25.0388 -25.0388 -7.8959 -7.8959 -6.7807 -6.7807 -6.7549 -6.7549 -0.9858 -0.9858 1.9225 1.9225 5.2506 5.2506 6.8094 6.8094 6.8217 6.8217 7.1353 7.1353 7.2829 7.2829 7.4747 7.4747 7.5665 7.5665 8.0945 8.0945 8.3971 8.3971 8.6954 8.6954 8.7908 8.7908 8.8135 8.8135 8.8552 8.8552 10.6946 10.6946 11.9952 11.9952 12.0974 12.0974 13.0647 13.0647 k = 0.1613 0.0931-0.0000 ( 2784 PWs) bands (ev): -25.0388 -25.0388 -7.8965 -7.8965 -6.7824 -6.7824 -6.7550 -6.7550 -0.9576 -0.9576 1.8569 1.8569 5.2992 5.2992 6.8087 6.8087 6.8217 6.8217 7.1358 7.1358 7.2754 7.2754 7.4675 7.4675 7.5595 7.5595 8.0783 8.0783 8.3973 8.3973 8.7228 8.7228 8.8153 8.8153 8.8217 8.8217 8.8583 8.8583 10.7025 10.7025 12.0334 12.0334 12.1350 12.1350 13.0018 13.0018 k = 0.1774 0.1024-0.0000 ( 2780 PWs) bands (ev): -25.0388 -25.0388 -7.8971 -7.8971 -6.7842 -6.7842 -6.7550 -6.7550 -0.9267 -0.9267 1.7881 1.7881 5.3472 5.3472 6.8082 6.8082 6.8220 6.8220 7.1364 7.1364 7.2686 7.2686 7.4599 7.4599 7.5520 7.5520 8.0614 8.0614 8.3975 8.3975 8.7441 8.7441 8.8302 8.8302 8.8400 8.8400 8.8743 8.8743 10.7106 10.7106 12.0749 12.0749 12.1756 12.1756 12.9421 12.9421 k = 0.1935 0.1117-0.0000 ( 2776 PWs) bands (ev): -25.0388 -25.0388 -7.8978 -7.8978 -6.7860 -6.7860 -6.7551 -6.7551 -0.8931 -0.8931 1.7167 1.7167 5.3939 5.3939 6.8075 6.8075 6.8221 6.8221 7.1371 7.1371 7.2630 7.2630 7.4520 7.4520 7.5443 7.5443 8.0439 8.0439 8.3976 8.3976 8.7601 8.7601 8.8395 8.8395 8.8475 8.8475 8.9196 8.9196 10.7187 10.7187 12.1193 12.1193 12.2192 12.2192 12.8857 12.8857 k = 0.2097 0.1210-0.0000 ( 2768 PWs) bands (ev): -25.0387 -25.0387 -7.8985 -7.8985 -6.7879 -6.7879 -6.7551 -6.7551 -0.8569 -0.8569 1.6431 1.6431 5.4384 5.4384 6.8068 6.8068 6.8223 6.8223 7.1378 7.1378 7.2588 7.2588 7.4438 7.4438 7.5363 7.5363 8.0260 8.0260 8.3978 8.3978 8.7731 8.7731 8.8490 8.8490 8.8494 8.8494 8.9807 8.9807 10.7268 10.7268 12.1663 12.1663 12.2653 12.2653 12.8326 12.8326 k = 0.2258 0.1303-0.0000 ( 2780 PWs) bands (ev): -25.0387 -25.0387 -7.8992 -7.8992 -6.7899 -6.7899 -6.7552 -6.7552 -0.8182 -0.8182 1.5679 1.5679 5.4797 5.4797 6.8061 6.8061 6.8225 6.8225 7.1384 7.1384 7.2560 7.2560 7.4353 7.4353 7.5280 7.5280 8.0079 8.0079 8.3979 8.3979 8.7846 8.7846 8.8500 8.8500 8.8590 8.8590 9.0516 9.0516 10.7347 10.7347 12.2156 12.2156 12.3137 12.3137 12.7828 12.7828 k = 0.2419 0.1397-0.0000 ( 2780 PWs) bands (ev): -25.0387 -25.0387 -7.8999 -7.8999 -6.7919 -6.7919 -6.7553 -6.7553 -0.7772 -0.7772 1.4914 1.4914 5.5176 5.5176 6.8054 6.8054 6.8228 6.8228 7.1391 7.1391 7.2548 7.2548 7.4268 7.4268 7.5197 7.5197 7.9899 7.9899 8.3980 8.3980 8.7952 8.7952 8.8504 8.8504 8.8691 8.8691 9.1312 9.1312 10.7423 10.7423 12.2669 12.2669 12.3640 12.3640 12.7363 12.7363 k = 0.2581 0.1490-0.0000 ( 2784 PWs) bands (ev): -25.0387 -25.0387 -7.9006 -7.9006 -6.7939 -6.7939 -6.7553 -6.7553 -0.7338 -0.7338 1.4141 1.4141 5.5515 5.5515 6.8048 6.8048 6.8231 6.8231 7.1398 7.1398 7.2551 7.2551 7.4183 7.4183 7.5114 7.5114 7.9722 7.9722 8.3981 8.3981 8.8054 8.8054 8.8506 8.8506 8.8793 8.8793 9.2191 9.2191 10.7497 10.7497 12.3198 12.3198 12.4158 12.4158 12.6930 12.6930 k = 0.2742 0.1583-0.0000 ( 2784 PWs) bands (ev): -25.0386 -25.0386 -7.9013 -7.9013 -6.7959 -6.7959 -6.7554 -6.7554 -0.6882 -0.6882 1.3362 1.3362 5.5813 5.5813 6.8042 6.8042 6.8235 6.8235 7.1404 7.1404 7.2569 7.2569 7.4100 7.4100 7.5032 7.5032 7.9549 7.9549 8.3982 8.3982 8.8152 8.8152 8.8507 8.8507 8.8895 8.8895 9.3150 9.3150 10.7567 10.7567 12.3738 12.3738 12.4688 12.4688 12.6530 12.6530 k = 0.2903 0.1676-0.0000 ( 2784 PWs) bands (ev): -25.0386 -25.0386 -7.9020 -7.9020 -6.7978 -6.7978 -6.7554 -6.7554 -0.6406 -0.6406 1.2580 1.2580 5.6069 5.6069 6.8036 6.8036 6.8240 6.8240 7.1411 7.1411 7.2599 7.2599 7.4020 7.4020 7.4951 7.4951 7.9380 7.9380 8.3984 8.3984 8.8247 8.8247 8.8508 8.8508 8.8996 8.8996 9.4189 9.4189 10.7633 10.7633 12.4285 12.4285 12.5223 12.5223 12.6161 12.6161 k = 0.3065 0.1769-0.0000 ( 2780 PWs) bands (ev): -25.0386 -25.0386 -7.9027 -7.9027 -6.7997 -6.7997 -6.7555 -6.7555 -0.5911 -0.5911 1.1799 1.1799 5.6284 5.6284 6.8031 6.8031 6.8245 6.8245 7.1418 7.1418 7.2639 7.2639 7.3944 7.3944 7.4874 7.4874 7.9219 7.9219 8.3985 8.3985 8.8339 8.8339 8.8510 8.8510 8.9096 8.9096 9.5307 9.5307 10.7694 10.7694 12.4833 12.4833 12.5760 12.5760 12.5822 12.5822 k = 0.3226 0.1862-0.0000 ( 2780 PWs) bands (ev): -25.0386 -25.0386 -7.9033 -7.9033 -6.8015 -6.8015 -6.7556 -6.7556 -0.5398 -0.5398 1.1020 1.1020 5.6462 5.6462 6.8026 6.8026 6.8250 6.8250 7.1424 7.1424 7.2686 7.2686 7.3874 7.3874 7.4799 7.4799 7.9066 7.9066 8.3986 8.3986 8.8423 8.8423 8.8513 8.8513 8.9192 8.9192 9.6503 9.6503 10.7751 10.7751 12.5373 12.5373 12.5516 12.5516 12.6293 12.6293 k = 0.3387 0.1955-0.0000 ( 2792 PWs) bands (ev): -25.0386 -25.0386 -7.9040 -7.9040 -6.8032 -6.8032 -6.7556 -6.7556 -0.4869 -0.4869 1.0247 1.0247 5.6604 5.6604 6.8020 6.8020 6.8254 6.8254 7.1429 7.1429 7.2734 7.2734 7.3810 7.3810 7.4728 7.4728 7.8923 7.8923 8.3987 8.3987 8.8485 8.8485 8.8534 8.8534 8.9284 8.9284 9.7773 9.7773 10.7803 10.7803 12.5232 12.5232 12.5909 12.5909 12.6814 12.6814 k = 0.3548 0.2048-0.0000 ( 2784 PWs) bands (ev): -25.0386 -25.0386 -7.9045 -7.9045 -6.8048 -6.8048 -6.7557 -6.7557 -0.4327 -0.4327 0.9483 0.9483 5.6717 5.6717 6.8016 6.8016 6.8260 6.8260 7.1433 7.1433 7.2784 7.2784 7.3755 7.3755 7.4662 7.4662 7.8790 7.8790 8.3988 8.3988 8.8501 8.8501 8.8599 8.8599 8.9371 8.9371 9.9116 9.9116 10.7850 10.7850 12.4979 12.4979 12.6422 12.6422 12.7319 12.7319 k = 0.3710 0.2141-0.0000 ( 2780 PWs) bands (ev): -25.0385 -25.0385 -7.9051 -7.9051 -6.8063 -6.8063 -6.7557 -6.7557 -0.3775 -0.3775 0.8732 0.8732 5.6802 5.6802 6.8013 6.8013 6.8266 6.8266 7.1438 7.1438 7.2831 7.2831 7.3710 7.3710 7.4601 7.4601 7.8669 7.8669 8.3989 8.3989 8.8504 8.8504 8.8669 8.8669 8.9451 8.9451 10.0525 10.0525 10.7893 10.7893 12.4753 12.4753 12.6906 12.6906 12.7798 12.7798 k = 0.3871 0.2235-0.0000 ( 2768 PWs) bands (ev): -25.0385 -25.0385 -7.9056 -7.9056 -6.8076 -6.8076 -6.7558 -6.7558 -0.3217 -0.3217 0.7997 0.7997 5.6866 5.6866 6.8012 6.8012 6.8274 6.8274 7.1443 7.1443 7.2870 7.2870 7.3676 7.3676 7.4546 7.4546 7.8561 7.8561 8.3989 8.3989 8.8505 8.8505 8.8734 8.8734 8.9525 8.9525 10.1994 10.1994 10.7930 10.7930 12.4548 12.4548 12.7344 12.7344 12.8246 12.8246 k = 0.4032 0.2328-0.0000 ( 2772 PWs) bands (ev): -25.0385 -25.0385 -7.9060 -7.9060 -6.8088 -6.8088 -6.7558 -6.7558 -0.2659 -0.2659 0.7285 0.7285 5.6911 5.6911 6.8009 6.8009 6.8279 6.8279 7.1446 7.1446 7.2900 7.2900 7.3652 7.3652 7.4497 7.4497 7.8465 7.8465 8.3990 8.3990 8.8506 8.8506 8.8792 8.8792 8.9590 8.9590 10.3515 10.3515 10.7962 10.7962 12.4359 12.4359 12.7593 12.7593 12.8512 12.8512 k = 0.4194 0.2421-0.0000 ( 2768 PWs) bands (ev): -25.0385 -25.0385 -7.9064 -7.9064 -6.8098 -6.8098 -6.7558 -6.7558 -0.2109 -0.2109 0.6605 0.6605 5.6942 5.6942 6.8007 6.8007 6.8283 6.8283 7.1450 7.1450 7.2922 7.2922 7.3639 7.3639 7.4455 7.4455 7.8384 7.8384 8.3990 8.3990 8.8506 8.8506 8.8843 8.8843 8.9647 8.9647 10.5075 10.5075 10.7989 10.7989 12.4153 12.4153 12.6198 12.6198 12.8267 12.8267 k = 0.4355 0.2514-0.0000 ( 2768 PWs) bands (ev): -25.0385 -25.0385 -7.9067 -7.9067 -6.8107 -6.8107 -6.7559 -6.7559 -0.1580 -0.1580 0.5970 0.5970 5.6963 5.6963 6.8005 6.8005 6.8288 6.8288 7.1452 7.1452 7.2935 7.2935 7.3633 7.3633 7.4420 7.4420 7.8316 7.8316 8.3991 8.3991 8.8506 8.8506 8.8885 8.8885 8.9694 8.9694 10.6651 10.6651 10.8012 10.8012 12.3617 12.3617 12.4656 12.4656 12.8544 12.8544 k = 0.4516 0.2607-0.0000 ( 2760 PWs) bands (ev): -25.0385 -25.0385 -7.9070 -7.9070 -6.8113 -6.8113 -6.7559 -6.7559 -0.1094 -0.1094 0.5401 0.5401 5.6976 5.6976 6.8005 6.8005 6.8292 6.8292 7.1455 7.1455 7.2942 7.2942 7.3633 7.3633 7.4392 7.4392 7.8265 7.8265 8.3991 8.3991 8.8506 8.8506 8.8919 8.8919 8.9731 8.9731 10.8029 10.8029 10.8204 10.8204 12.2083 12.2083 12.4227 12.4227 12.8787 12.8787 k = 0.4677 0.2700-0.0000 ( 2768 PWs) bands (ev): -25.0385 -25.0385 -7.9071 -7.9071 -6.8118 -6.8118 -6.7559 -6.7559 -0.0685 -0.0685 0.4933 0.4933 5.6984 5.6984 6.8004 6.8004 6.8294 6.8294 7.1455 7.1455 7.2944 7.2944 7.3635 7.3635 7.4372 7.4372 7.8226 7.8226 8.3990 8.3990 8.8506 8.8506 8.8942 8.8942 8.9758 8.9758 10.8042 10.8042 10.9648 10.9648 12.0461 12.0461 12.4108 12.4108 12.8969 12.8969 k = 0.4839 0.2793-0.0000 ( 2772 PWs) bands (ev): -25.0385 -25.0385 -7.9073 -7.9073 -6.8121 -6.8121 -6.7559 -6.7559 -0.0402 -0.0402 0.4615 0.4615 5.6988 5.6988 6.8003 6.8003 6.8296 6.8296 7.1455 7.1455 7.2945 7.2945 7.3637 7.3637 7.4360 7.4360 7.8203 7.8203 8.3990 8.3990 8.8506 8.8506 8.8956 8.8956 8.9774 8.9774 10.8049 10.8049 11.0789 11.0789 11.9196 11.9196 12.4053 12.4053 12.9081 12.9081 k = 0.5000 0.2886-0.0000 ( 2772 PWs) bands (ev): -25.0385 -25.0385 -7.9073 -7.9073 -6.8122 -6.8122 -6.7559 -6.7559 -0.0300 -0.0300 0.4500 0.4500 5.6989 5.6989 6.8003 6.8003 6.8297 6.8297 7.1456 7.1456 7.2945 7.2945 7.3638 7.3638 7.4356 7.4356 7.8196 7.8196 8.3990 8.3990 8.8506 8.8506 8.8961 8.8961 8.9780 8.9780 10.8051 10.8051 11.1257 11.1257 11.8685 11.8685 12.4036 12.4036 12.9118 12.9118 k = 0.5000 0.2886-0.0000 ( 2772 PWs) bands (ev): -25.0385 -25.0385 -7.9073 -7.9073 -6.8122 -6.8122 -6.7559 -6.7559 -0.0300 -0.0300 0.4500 0.4500 5.6989 5.6989 6.8003 6.8003 6.8297 6.8297 7.1456 7.1456 7.2945 7.2945 7.3638 7.3638 7.4356 7.4356 7.8196 7.8196 8.3990 8.3990 8.8506 8.8506 8.8961 8.8961 8.9780 8.9780 10.8051 10.8051 11.1257 11.1257 11.8685 11.8685 12.4036 12.4036 12.9118 12.9118 k = 0.4935 0.2999 0.0130 ( 2772 PWs) bands (ev): -25.0385 -25.0385 -7.9074 -7.9074 -6.8122 -6.8122 -6.7561 -6.7561 -0.0290 -0.0290 0.4508 0.4508 5.6991 5.6991 6.8000 6.8000 6.8294 6.8294 7.1460 7.1460 7.2937 7.2937 7.3624 7.3624 7.4324 7.4324 7.8216 7.8216 8.3984 8.3984 8.8353 8.8353 8.9023 8.9023 8.9820 8.9820 10.8116 10.8116 11.1268 11.1268 11.8655 11.8655 12.4089 12.4089 12.9099 12.9099 k = 0.4870 0.3112 0.0260 ( 2768 PWs) bands (ev): -25.0384 -25.0384 -7.9076 -7.9076 -6.8122 -6.8122 -6.7566 -6.7566 -0.0261 -0.0261 0.4532 0.4532 5.6997 5.6997 6.7991 6.7991 6.8285 6.8285 7.1474 7.1474 7.2906 7.2906 7.3587 7.3587 7.4235 7.4235 7.8276 7.8276 8.3965 8.3965 8.8065 8.8065 8.8994 8.8994 8.9989 8.9989 10.8304 10.8304 11.1300 11.1300 11.8562 11.8562 12.4249 12.4249 12.9034 12.9034 k = 0.4805 0.3225 0.0391 ( 2760 PWs) bands (ev): -25.0384 -25.0384 -7.9079 -7.9079 -6.8122 -6.8122 -6.7575 -6.7575 -0.0213 -0.0213 0.4572 0.4572 5.7005 5.7005 6.7973 6.7973 6.8275 6.8275 7.1496 7.1496 7.2831 7.2831 7.3536 7.3536 7.4110 7.4110 7.8367 7.8367 8.3934 8.3934 8.7749 8.7749 8.8786 8.8786 9.0280 9.0280 10.8602 10.8602 11.1352 11.1352 11.8405 11.8405 12.4516 12.4516 12.8912 12.8912 k = 0.4740 0.3337 0.0521 ( 2754 PWs) bands (ev): -25.0383 -25.0383 -7.9083 -7.9083 -6.8122 -6.8122 -6.7588 -6.7588 -0.0145 -0.0145 0.4628 0.4628 5.7016 5.7016 6.7944 6.7944 6.8265 6.8265 7.1524 7.1524 7.2674 7.2674 7.3489 7.3489 7.3974 7.3974 7.8480 7.8480 8.3889 8.3889 8.7427 8.7427 8.8455 8.8455 9.0632 9.0632 10.8991 10.8991 11.1423 11.1423 11.8178 11.8178 12.4887 12.4887 12.8733 12.8733 k = 0.4674 0.3450 0.0651 ( 2756 PWs) bands (ev): -25.0381 -25.0381 -7.9089 -7.9089 -6.8123 -6.8123 -6.7602 -6.7602 -0.0059 -0.0059 0.4698 0.4698 5.7026 5.7026 6.7902 6.7902 6.8259 6.8259 7.1555 7.1555 7.2419 7.2419 7.3455 7.3455 7.3856 7.3856 7.8607 7.8607 8.3832 8.3832 8.7106 8.7106 8.8048 8.8048 9.1013 9.1013 10.9448 10.9448 11.1511 11.1511 11.7876 11.7876 12.5360 12.5360 12.8512 12.8512 k = 0.4609 0.3563 0.0781 ( 2752 PWs) bands (ev): -25.0380 -25.0380 -7.9096 -7.9096 -6.8126 -6.8126 -6.7620 -6.7620 0.0047 0.0047 0.4782 0.4782 5.7033 5.7033 6.7846 6.7846 6.8260 6.8260 7.1573 7.1573 7.2085 7.2085 7.3411 7.3411 7.3781 7.3781 7.8741 7.8741 8.3762 8.3762 8.6790 8.6790 8.7596 8.7596 9.1409 9.1409 10.9952 10.9952 11.1614 11.1614 11.7496 11.7496 12.5931 12.5931 12.8278 12.8278 k = 0.4544 0.3676 0.0912 ( 2750 PWs) bands (ev): -25.0378 -25.0378 -7.9104 -7.9104 -6.8129 -6.8129 -6.7638 -6.7638 0.0172 0.0172 0.4880 0.4880 5.7034 5.7034 6.7777 6.7777 6.8267 6.8267 7.1448 7.1448 7.1823 7.1823 7.3328 7.3328 7.3770 7.3770 7.8875 7.8875 8.3678 8.3678 8.6477 8.6477 8.7124 8.7124 9.1816 9.1816 11.0482 11.0482 11.1730 11.1730 11.7034 11.7034 12.6593 12.6593 12.8059 12.8059 k = 0.4479 0.3789 0.1042 ( 2756 PWs) bands (ev): -25.0376 -25.0376 -7.9114 -7.9114 -6.8135 -6.8135 -6.7657 -6.7657 0.0316 0.0316 0.4990 0.4990 5.7026 5.7026 6.7696 6.7696 6.8279 6.8279 7.1027 7.1027 7.1808 7.1808 7.3205 7.3205 7.3811 7.3811 7.9005 7.9005 8.3580 8.3580 8.6161 8.6161 8.6655 8.6655 9.2229 9.2229 11.1015 11.1015 11.1863 11.1863 11.6491 11.6491 12.7332 12.7332 12.7880 12.7880 k = 0.4414 0.3901 0.1172 ( 2758 PWs) bands (ev): -25.0374 -25.0374 -7.9125 -7.9125 -6.8144 -6.8144 -6.7676 -6.7676 0.0479 0.0479 0.5112 0.5112 5.7003 5.7003 6.7607 6.7607 6.8297 6.8297 7.0504 7.0504 7.1860 7.1860 7.3061 7.3061 7.3881 7.3881 7.9131 7.9131 8.3467 8.3467 8.5832 8.5832 8.6215 8.6215 9.2646 9.2646 11.1506 11.1506 11.2041 11.2041 11.5872 11.5872 12.7704 12.7704 12.8186 12.8186 k = 0.4349 0.4014 0.1302 ( 2760 PWs) bands (ev): -25.0372 -25.0372 -7.9137 -7.9137 -6.8156 -6.8156 -6.7694 -6.7694 0.0660 0.0660 0.5244 0.5244 5.6961 5.6961 6.7510 6.7510 6.8317 6.8317 6.9949 6.9949 7.1923 7.1923 7.2908 7.2908 7.3969 7.3969 7.9248 7.9248 8.3342 8.3342 8.5473 8.5473 8.5829 8.5829 9.3064 9.3064 11.1832 11.1832 11.2373 11.2373 11.5183 11.5183 12.7628 12.7628 12.9054 12.9054 k = 0.4284 0.4127 0.1433 ( 2754 PWs) bands (ev): -25.0370 -25.0370 -7.9150 -7.9150 -6.8173 -6.8173 -6.7708 -6.7708 0.0860 0.0860 0.5384 0.5384 5.6892 5.6892 6.7409 6.7409 6.8337 6.8337 6.9388 6.9388 7.1983 7.1983 7.2759 7.2759 7.4067 7.4067 7.9356 7.9356 8.3204 8.3204 8.5089 8.5089 8.5500 8.5500 9.3483 9.3483 11.1975 11.1975 11.2865 11.2865 11.4435 11.4435 12.7598 12.7598 12.9905 12.9905 k = 0.4219 0.4240 0.1563 ( 2762 PWs) bands (ev): -25.0367 -25.0367 -7.9164 -7.9164 -6.8194 -6.8194 -6.7720 -6.7720 0.1078 0.1078 0.5531 0.5531 5.6790 5.6790 6.7304 6.7304 6.8341 6.8341 6.8853 6.8853 7.2013 7.2013 7.2637 7.2637 7.4171 7.4171 7.9452 7.9452 8.3050 8.3050 8.4705 8.4705 8.5206 8.5206 9.3900 9.3900 11.2032 11.2032 11.3393 11.3393 11.3653 11.3653 12.7623 12.7623 12.9947 12.9947 k = 0.4154 0.4353 0.1693 ( 2770 PWs) bands (ev): -25.0364 -25.0364 -7.9179 -7.9179 -6.8221 -6.8221 -6.7728 -6.7728 0.1315 0.1315 0.5683 0.5683 5.6647 5.6647 6.7194 6.7194 6.8172 6.8172 6.8519 6.8519 7.1976 7.1976 7.2585 7.2585 7.4279 7.4279 7.9537 7.9537 8.2882 8.2882 8.4340 8.4340 8.4931 8.4931 9.4314 9.4314 11.2011 11.2011 11.2817 11.2817 11.3971 11.3971 12.7700 12.7700 12.9973 12.9973 k = 0.4088 0.4465 0.1823 ( 2764 PWs) bands (ev): -25.0361 -25.0361 -7.9195 -7.9195 -6.8253 -6.8253 -6.7732 -6.7732 0.1569 0.1569 0.5838 0.5838 5.6457 5.6457 6.7085 6.7085 6.7732 6.7732 6.8499 6.8499 7.1855 7.1855 7.2617 7.2617 7.4390 7.4390 7.9611 7.9611 8.2700 8.2700 8.4003 8.4003 8.4668 8.4668 9.4724 9.4724 11.1726 11.1726 11.2176 11.2176 11.4536 11.4536 12.7825 12.7825 12.9984 12.9984 k = 0.4023 0.4578 0.1954 ( 2758 PWs) bands (ev): -25.0358 -25.0358 -7.9212 -7.9212 -6.8289 -6.8289 -6.7732 -6.7732 0.1842 0.1842 0.5995 0.5995 5.6212 5.6212 6.6975 6.6975 6.7297 6.7297 6.8529 6.8529 7.1681 7.1681 7.2706 7.2706 7.4500 7.4500 7.9672 7.9672 8.2506 8.2506 8.3695 8.3695 8.4412 8.4412 9.5128 9.5128 11.0930 11.0930 11.1955 11.1955 11.5113 11.5113 12.7996 12.7996 12.9975 12.9975 k = 0.3958 0.4691 0.2084 ( 2758 PWs) bands (ev): -25.0355 -25.0355 -7.9230 -7.9230 -6.8329 -6.8329 -6.7729 -6.7729 0.2132 0.2132 0.6150 0.6150 5.5911 5.5911 6.6860 6.6860 6.6920 6.6920 6.8570 6.8570 7.1480 7.1480 7.2825 7.2825 7.4609 7.4609 7.9719 7.9719 8.2301 8.2301 8.3415 8.3415 8.4162 8.4162 9.5525 9.5525 11.0031 11.0031 11.1745 11.1745 11.5703 11.5703 12.8205 12.8205 12.9940 12.9940 k = 0.3893 0.4804 0.2214 ( 2762 PWs) bands (ev): -25.0352 -25.0352 -7.9248 -7.9248 -6.8372 -6.8372 -6.7723 -6.7723 0.2439 0.2439 0.6302 0.6302 5.5552 5.5552 6.6599 6.6599 6.6757 6.6757 6.8616 6.8616 7.1266 7.1266 7.2962 7.2962 7.4717 7.4717 7.9752 7.9752 8.2089 8.2089 8.3160 8.3160 8.3915 8.3915 9.5914 9.5914 10.9112 10.9112 11.1466 11.1466 11.6306 11.6306 12.8447 12.8447 12.9873 12.9873 k = 0.3828 0.4916 0.2344 ( 2766 PWs) bands (ev): -25.0349 -25.0349 -7.9267 -7.9267 -6.8417 -6.8417 -6.7715 -6.7715 0.2762 0.2762 0.6448 0.6448 5.5139 5.5139 6.6356 6.6356 6.6647 6.6647 6.8667 6.8667 7.1044 7.1044 7.3111 7.3111 7.4820 7.4820 7.9772 7.9772 8.1873 8.1873 8.2926 8.2926 8.3672 8.3672 9.6296 9.6296 10.8185 10.8185 11.1106 11.1106 11.6927 11.6927 12.8707 12.8707 12.9775 12.9775 k = 0.3763 0.5029 0.2474 ( 2770 PWs) bands (ev): -25.0345 -25.0345 -7.9286 -7.9286 -6.8463 -6.8463 -6.7704 -6.7704 0.3103 0.3103 0.6584 0.6584 5.4680 5.4680 6.6182 6.6182 6.6540 6.6540 6.8723 6.8723 7.0819 7.0819 7.3272 7.3272 7.4920 7.4920 7.9776 7.9776 8.1658 8.1658 8.2710 8.2710 8.3431 8.3431 9.6667 9.6667 10.7259 10.7259 11.0664 11.0664 11.7565 11.7565 12.8938 12.8938 12.9679 12.9679 k = 0.3698 0.5142 0.2605 ( 2770 PWs) bands (ev): -25.0342 -25.0342 -7.9306 -7.9306 -6.8510 -6.8510 -6.7692 -6.7692 0.3459 0.3459 0.6710 0.6710 5.4186 5.4186 6.6072 6.6072 6.6436 6.6436 6.8782 6.8782 7.0593 7.0593 7.3440 7.3440 7.5014 7.5014 7.9767 7.9767 8.1445 8.1445 8.2509 8.2509 8.3193 8.3193 9.7029 9.7029 10.6337 10.6337 11.0146 11.0146 11.8224 11.8224 12.8983 12.8983 12.9729 12.9729 k = 0.3633 0.5255 0.2735 ( 2764 PWs) bands (ev): -25.0339 -25.0339 -7.9326 -7.9326 -6.8558 -6.8558 -6.7679 -6.7679 0.3831 0.3831 0.6820 0.6820 5.3666 5.3666 6.6018 6.6018 6.6335 6.6335 6.8844 6.8844 7.0367 7.0367 7.3617 7.3617 7.5102 7.5102 7.9744 7.9744 8.1237 8.1237 8.2322 8.2322 8.2959 8.2959 9.7381 9.7381 10.5424 10.5424 10.9557 10.9557 11.8902 11.8902 12.8754 12.8754 13.0001 13.0001 k = 0.3568 0.5368 0.2865 ( 2764 PWs) bands (ev): -25.0336 -25.0336 -7.9346 -7.9346 -6.8605 -6.8605 -6.7665 -6.7665 0.4219 0.4219 0.6914 0.6914 5.3134 5.3134 6.6013 6.6013 6.6236 6.6236 6.8910 6.8910 7.0143 7.0143 7.3800 7.3800 7.5183 7.5183 7.9706 7.9706 8.1034 8.1034 8.2145 8.2145 8.2727 8.2727 9.7722 9.7722 10.4521 10.4521 10.8909 10.8909 11.9602 11.9602 12.8366 12.8366 13.0368 13.0368 k = 0.3502 0.5480 0.2995 ( 2764 PWs) bands (ev): -25.0332 -25.0332 -7.9366 -7.9366 -6.8651 -6.8651 -6.7651 -6.7651 0.4620 0.4620 0.6987 0.6987 5.2602 5.2602 6.6045 6.6045 6.6144 6.6144 6.8980 6.8980 6.9922 6.9922 7.3989 7.3989 7.5256 7.5256 7.9653 7.9653 8.0839 8.0839 8.1977 8.1977 8.2502 8.2502 9.8052 9.8052 10.3632 10.3632 10.8215 10.8215 12.0322 12.0322 12.7871 12.7871 13.0772 13.0772 k = 0.3437 0.5593 0.3126 ( 2760 PWs) bands (ev): -25.0329 -25.0329 -7.9386 -7.9386 -6.8695 -6.8695 -6.7635 -6.7635 0.5036 0.5036 0.7037 0.7037 5.2081 5.2081 6.6040 6.6040 6.6126 6.6126 6.9053 6.9053 6.9705 6.9705 7.4181 7.4181 7.5320 7.5320 7.9586 7.9586 8.0651 8.0651 8.1814 8.1814 8.2285 8.2285 9.8372 9.8372 10.2758 10.2758 10.7485 10.7485 12.1063 12.1063 12.7286 12.7286 13.1185 13.1185 k = 0.3372 0.5706 0.3256 ( 2760 PWs) bands (ev): -25.0326 -25.0326 -7.9405 -7.9405 -6.8738 -6.8738 -6.7620 -6.7620 0.5465 0.5465 0.7062 0.7062 5.1580 5.1580 6.5957 6.5957 6.6212 6.6212 6.9130 6.9130 6.9493 6.9493 7.4376 7.4376 7.5375 7.5375 7.9506 7.9506 8.0473 8.0473 8.1651 8.1651 8.2084 8.2084 9.8681 9.8681 10.1902 10.1902 10.6732 10.6732 12.1823 12.1823 12.6622 12.6622 13.1572 13.1572 k = 0.3307 0.5819 0.3386 ( 2764 PWs) bands (ev): -25.0324 -25.0324 -7.9424 -7.9424 -6.8779 -6.8779 -6.7605 -6.7605 0.5906 0.5906 0.7058 0.7058 5.1108 5.1108 6.5875 6.5875 6.6318 6.6318 6.9209 6.9209 6.9287 6.9287 7.4570 7.4570 7.5423 7.5423 7.9414 7.9414 8.0306 8.0306 8.1478 8.1478 8.1907 8.1907 9.8978 9.8978 10.1066 10.1066 10.5966 10.5966 12.2598 12.2598 12.5895 12.5895 13.1872 13.1872 k = 0.3242 0.5932 0.3516 ( 2764 PWs) bands (ev): -25.0321 -25.0321 -7.9442 -7.9442 -6.8818 -6.8818 -6.7590 -6.7590 0.6354 0.6354 0.7029 0.7029 5.0673 5.0673 6.5795 6.5795 6.6432 6.6432 6.9085 6.9085 6.9295 6.9295 7.4759 7.4759 7.5468 7.5468 7.9311 7.9311 8.0151 8.0151 8.1291 8.1291 8.1763 8.1763 9.9253 9.9253 10.0262 10.0262 10.5198 10.5198 12.3374 12.3374 12.5128 12.5128 13.1985 13.1985 k = 0.3177 0.6044 0.3647 ( 2764 PWs) bands (ev): -25.0318 -25.0318 -7.9459 -7.9459 -6.8854 -6.8854 -6.7575 -6.7575 0.6774 0.6774 0.7006 0.7006 5.0282 5.0282 6.5721 6.5721 6.6549 6.6549 6.8892 6.8892 6.9382 6.9382 7.4930 7.4930 7.5518 7.5518 7.9198 7.9198 8.0010 8.0010 8.1087 8.1087 8.1652 8.1652 9.9295 9.9295 9.9702 9.9702 10.4437 10.4437 12.3927 12.3927 12.4554 12.4554 13.1860 13.1860 k = 0.3112 0.6157 0.3777 ( 2774 PWs) bands (ev): -25.0316 -25.0316 -7.9475 -7.9475 -6.8887 -6.8887 -6.7561 -6.7561 0.6815 0.6815 0.7337 0.7337 4.9939 4.9939 6.5650 6.5650 6.6662 6.6662 6.8706 6.8706 6.9472 6.9472 7.5062 7.5062 7.5596 7.5596 7.9079 7.9079 7.9883 7.9883 8.0871 8.0871 8.1568 8.1568 9.8606 9.8606 9.9886 9.9886 10.3688 10.3688 12.3293 12.3293 12.5147 12.5147 13.1575 13.1575 k = 0.3047 0.6270 0.3907 ( 2766 PWs) bands (ev): -25.0314 -25.0314 -7.9489 -7.9489 -6.8917 -6.8917 -6.7548 -6.7548 0.6685 0.6685 0.7813 0.7813 4.9648 4.9648 6.5586 6.5586 6.6763 6.6763 6.8530 6.8530 6.9567 6.9567 7.5134 7.5134 7.5722 7.5722 7.8956 7.8956 7.9775 7.9775 8.0651 8.0651 8.1511 8.1511 9.7852 9.7852 10.0149 10.0149 10.2960 10.2960 12.2410 12.2410 12.5974 12.5974 13.1224 13.1224 k = 0.2982 0.6383 0.4037 ( 2770 PWs) bands (ev): -25.0312 -25.0312 -7.9502 -7.9502 -6.8944 -6.8944 -6.7535 -6.7535 0.6509 0.6509 0.8306 0.8306 4.9412 4.9412 6.5525 6.5525 6.6848 6.6848 6.8361 6.8361 6.9665 6.9665 7.5147 7.5147 7.5894 7.5894 7.8831 7.8831 7.9685 7.9685 8.0428 8.0428 8.1473 8.1473 9.7110 9.7110 10.0415 10.0415 10.2257 10.2257 12.1488 12.1488 12.6831 12.6831 13.0860 13.0860 k = 0.2917 0.6496 0.4168 ( 2770 PWs) bands (ev): -25.0310 -25.0310 -7.9514 -7.9514 -6.8967 -6.8967 -6.7522 -6.7522 0.6294 0.6294 0.8809 0.8809 4.9233 4.9233 6.5471 6.5471 6.6911 6.6911 6.8201 6.8201 6.9767 6.9767 7.5119 7.5119 7.6094 7.6094 7.8708 7.8708 7.9613 7.9613 8.0207 8.0207 8.1456 8.1456 9.6385 9.6385 10.0675 10.0675 10.1588 10.1588 12.0545 12.0545 12.7703 12.7703 13.0504 13.0504 k = 0.2917 0.6496 0.4168 ( 2770 PWs) bands (ev): -25.0310 -25.0310 -7.9514 -7.9514 -6.8967 -6.8967 -6.7522 -6.7522 0.6294 0.6294 0.8809 0.8809 4.9233 4.9233 6.5471 6.5471 6.6911 6.6911 6.8201 6.8201 6.9767 6.9767 7.5119 7.5119 7.6094 7.6094 7.8708 7.8708 7.9613 7.9613 8.0207 8.0207 8.1456 8.1456 9.6385 9.6385 10.0675 10.0675 10.1588 10.1588 12.0545 12.0545 12.7703 12.7703 13.0504 13.0504 k = 0.2745 0.6453 0.4217 ( 2768 PWs) bands (ev): -25.0310 -25.0310 -7.9518 -7.9518 -6.8975 -6.8975 -6.7518 -6.7518 0.6178 0.6178 0.9025 0.9025 4.9204 4.9204 6.5362 6.5362 6.6997 6.6997 6.8139 6.8139 6.9812 6.9812 7.5094 7.5094 7.6175 7.6175 7.8664 7.8664 7.9590 7.9590 8.0125 8.0125 8.1459 8.1459 9.5965 9.5965 10.0773 10.0773 10.1527 10.1527 12.0183 12.0183 12.7876 12.7876 13.0432 13.0432 k = 0.2573 0.6411 0.4266 ( 2777 PWs) bands (ev): -25.0309 -25.0309 -7.9522 -7.9522 -6.8983 -6.8983 -6.7513 -6.7513 0.6025 0.6025 0.9272 0.9272 4.9230 4.9230 6.5106 6.5106 6.7185 6.7185 6.8070 6.8070 6.9867 6.9867 7.5050 7.5050 7.6258 7.6258 7.8623 7.8623 7.9567 7.9567 8.0043 8.0043 8.1477 8.1477 9.5311 9.5311 10.0878 10.0878 10.1764 10.1764 11.9817 11.9817 12.7696 12.7696 13.0543 13.0543 k = 0.2402 0.6368 0.4315 ( 2776 PWs) bands (ev): -25.0309 -25.0309 -7.9525 -7.9525 -6.8989 -6.8989 -6.7508 -6.7508 0.5856 0.5856 0.9529 0.9529 4.9311 4.9311 6.4752 6.4752 6.7422 6.7422 6.8002 6.8002 6.9929 6.9929 7.4988 7.4988 7.6345 7.6345 7.8585 7.8585 7.9542 7.9542 7.9966 7.9966 8.1511 8.1511 9.4530 9.4530 10.0984 10.0984 10.2199 10.2199 11.9456 11.9456 12.7201 12.7201 13.0833 13.0833 k = 0.2230 0.6326 0.4364 ( 2773 PWs) bands (ev): -25.0308 -25.0308 -7.9528 -7.9528 -6.8996 -6.8996 -6.7504 -6.7504 0.5682 0.5682 0.9783 0.9783 4.9448 4.9448 6.4330 6.4330 6.7672 6.7672 6.7943 6.7943 6.9995 6.9995 7.4909 7.4909 7.6436 7.6436 7.8552 7.8552 7.9513 7.9513 7.9894 7.9894 8.1562 8.1562 9.3703 9.3703 10.1086 10.1086 10.2757 10.2757 11.9106 11.9106 12.6493 12.6493 13.1230 13.1230 k = 0.2059 0.6283 0.4413 ( 2772 PWs) bands (ev): -25.0308 -25.0308 -7.9530 -7.9530 -6.9001 -6.9001 -6.7499 -6.7499 0.5512 0.5512 1.0026 1.0026 4.9639 4.9639 6.3855 6.3855 6.7806 6.7806 6.8009 6.8009 7.0063 7.0063 7.4812 7.4812 7.6529 7.6529 7.8521 7.8521 7.9477 7.9477 7.9831 7.9831 8.1630 8.1630 9.2873 9.2873 10.1183 10.1183 10.3393 10.3393 11.8771 11.8771 12.5653 12.5653 13.1682 13.1682 k = 0.1887 0.6241 0.4462 ( 2771 PWs) bands (ev): -25.0307 -25.0307 -7.9533 -7.9533 -6.9007 -6.9007 -6.7494 -6.7494 0.5349 0.5349 1.0254 1.0254 4.9884 4.9884 6.3335 6.3335 6.7762 6.7762 6.8255 6.8255 7.0132 7.0132 7.4700 7.4700 7.6626 7.6626 7.8492 7.8492 7.9432 7.9432 7.9776 7.9776 8.1714 8.1714 9.2068 9.2068 10.1275 10.1275 10.4083 10.4083 11.8455 11.8455 12.4733 12.4733 13.2151 13.2151 k = 0.1716 0.6198 0.4511 ( 2775 PWs) bands (ev): -25.0307 -25.0307 -7.9535 -7.9535 -6.9011 -6.9011 -6.7489 -6.7489 0.5197 0.5197 1.0463 1.0463 5.0182 5.0182 6.2777 6.2777 6.7701 6.7701 6.8516 6.8516 7.0200 7.0200 7.4574 7.4574 7.6724 7.6724 7.8463 7.8463 7.9378 7.9378 7.9732 7.9732 8.1814 8.1814 9.1299 9.1299 10.1361 10.1361 10.4810 10.4810 11.8162 11.8162 12.3765 12.3765 13.1972 13.1972 k = 0.1544 0.6156 0.4560 ( 2773 PWs) bands (ev): -25.0307 -25.0307 -7.9537 -7.9537 -6.9016 -6.9016 -6.7485 -6.7485 0.5056 0.5056 1.0653 1.0653 5.0529 5.0529 6.2186 6.2186 6.7643 6.7643 6.8773 6.8773 7.0268 7.0268 7.4438 7.4438 7.6824 7.6824 7.8433 7.8433 7.9320 7.9320 7.9695 7.9695 8.1930 8.1930 9.0577 9.0577 10.1442 10.1442 10.5566 10.5566 11.7894 11.7894 12.2772 12.2772 13.1721 13.1721 k = 0.1372 0.6114 0.4609 ( 2771 PWs) bands (ev): -25.0306 -25.0306 -7.9539 -7.9539 -6.9019 -6.9019 -6.7481 -6.7481 0.4928 0.4928 1.0823 1.0823 5.0922 5.0922 6.1568 6.1568 6.7588 6.7588 6.9019 6.9019 7.0335 7.0335 7.4294 7.4294 7.6925 7.6925 7.8401 7.8401 7.9260 7.9260 7.9665 7.9665 8.2059 8.2059 8.9908 8.9908 10.1515 10.1515 10.6345 10.6345 11.7651 11.7651 12.1769 12.1769 13.1509 13.1509 k = 0.1201 0.6071 0.4658 ( 2771 PWs) bands (ev): -25.0306 -25.0306 -7.9540 -7.9540 -6.9023 -6.9023 -6.7477 -6.7477 0.4814 0.4814 1.0972 1.0972 5.1359 5.1359 6.0928 6.0928 6.7538 6.7538 6.9250 6.9250 7.0401 7.0401 7.4145 7.4145 7.7026 7.7026 7.8366 7.8366 7.9201 7.9201 7.9639 7.9639 8.2198 8.2198 8.9294 8.9294 10.1582 10.1582 10.7141 10.7141 11.7435 11.7435 12.0767 12.0767 13.1329 13.1329 k = 0.1029 0.6029 0.4707 ( 2766 PWs) bands (ev): -25.0306 -25.0306 -7.9541 -7.9541 -6.9026 -6.9026 -6.7473 -6.7473 0.4715 0.4715 1.1101 1.1101 5.1832 5.1832 6.0273 6.0273 6.7495 6.7495 6.9461 6.9461 7.0467 7.0467 7.3995 7.3995 7.7126 7.7126 7.8326 7.8326 7.9149 7.9149 7.9617 7.9617 8.2345 8.2345 8.8740 8.8740 10.1640 10.1640 10.7950 10.7950 11.7246 11.7246 11.9776 11.9776 13.1179 13.1179 k = 0.0858 0.5986 0.4756 ( 2761 PWs) bands (ev): -25.0306 -25.0306 -7.9542 -7.9542 -6.9028 -6.9028 -6.7470 -6.7470 0.4630 0.4630 1.1209 1.1209 5.2337 5.2337 5.9613 5.9613 6.7457 6.7457 6.9648 6.9648 7.0534 7.0534 7.3850 7.3850 7.7224 7.7224 7.8281 7.8281 7.9103 7.9103 7.9598 7.9598 8.2493 8.2493 8.8249 8.8249 10.1690 10.1690 10.8766 10.8766 11.7082 11.7082 11.8806 11.8806 13.1055 13.1055 k = 0.0686 0.5944 0.4805 ( 2764 PWs) bands (ev): -25.0306 -25.0306 -7.9543 -7.9543 -6.9030 -6.9030 -6.7468 -6.7468 0.4560 0.4560 1.1296 1.1296 5.2861 5.2861 5.8958 5.8958 6.7426 6.7426 6.9803 6.9803 7.0601 7.0601 7.3714 7.3714 7.7317 7.7317 7.8231 7.8231 7.9066 7.9066 7.9582 7.9582 8.2637 8.2637 8.7827 8.7827 10.1731 10.1731 10.9579 10.9579 11.6939 11.6939 11.7875 11.7875 13.0956 13.0956 k = 0.0515 0.5901 0.4854 ( 2766 PWs) bands (ev): -25.0305 -25.0305 -7.9544 -7.9544 -6.9032 -6.9032 -6.7466 -6.7466 0.4506 0.4506 1.1364 1.1364 5.3387 5.3387 5.8329 5.8329 6.7402 6.7402 6.9923 6.9923 7.0667 7.0667 7.3595 7.3595 7.7402 7.7402 7.8179 7.8179 7.9037 7.9037 7.9569 7.9569 8.2768 8.2768 8.7482 8.7482 10.1763 10.1763 11.0373 11.0373 11.6737 11.6737 11.7078 11.7078 13.0880 13.0880 k = 0.0343 0.5859 0.4903 ( 2768 PWs) bands (ev): -25.0305 -25.0305 -7.9544 -7.9544 -6.9033 -6.9033 -6.7464 -6.7464 0.4467 0.4467 1.1412 1.1412 5.3882 5.3882 5.7760 5.7760 6.7384 6.7384 7.0007 7.0007 7.0725 7.0725 7.3501 7.3501 7.7475 7.7475 7.8130 7.8130 7.9017 7.9017 7.9559 7.9559 8.2874 8.2874 8.7223 8.7223 10.1787 10.1787 11.1111 11.1111 11.6093 11.6093 11.6838 11.6838 13.0826 13.0826 k = 0.0172 0.5816 0.4952 ( 2762 PWs) bands (ev): -25.0305 -25.0305 -7.9544 -7.9544 -6.9033 -6.9033 -6.7464 -6.7464 0.4444 0.4444 1.1441 1.1441 5.4274 5.4274 5.7324 5.7324 6.7374 6.7374 7.0056 7.0056 7.0765 7.0765 7.3440 7.3440 7.7527 7.7527 7.8093 7.8093 7.9006 7.9006 7.9553 7.9553 8.2945 8.2945 8.7063 8.7063 10.1801 10.1801 11.1702 11.1702 11.5475 11.5475 11.6777 11.6777 13.0794 13.0794 k = 0.0000 0.5774 0.5001 ( 2770 PWs) bands (ev): -25.0305 -25.0305 -7.9545 -7.9545 -6.9034 -6.9034 -6.7463 -6.7463 0.4436 0.4436 1.1450 1.1450 5.4434 5.4434 5.7148 5.7148 6.7370 6.7370 7.0071 7.0071 7.0780 7.0780 7.3419 7.3419 7.7545 7.7545 7.8078 7.8078 7.9002 7.9002 7.9551 7.9551 8.2969 8.2969 8.7008 8.7008 10.1805 10.1805 11.1948 11.1948 11.5216 11.5216 11.6760 11.6760 13.0783 13.0783 k = 0.0000 0.5774 0.5001 ( 2770 PWs) bands (ev): -25.0305 -25.0305 -7.9545 -7.9545 -6.9034 -6.9034 -6.7463 -6.7463 0.4436 0.4436 1.1450 1.1450 5.4434 5.4434 5.7148 5.7148 6.7370 6.7370 7.0071 7.0071 7.0780 7.0780 7.3419 7.3419 7.7545 7.7545 7.8078 7.8078 7.9002 7.9002 7.9551 7.9551 8.2969 8.2969 8.7008 8.7008 10.1805 10.1805 11.1948 11.1948 11.5216 11.5216 11.6760 11.6760 13.0783 13.0783 k = 0.0066 0.5660 0.5132 ( 2758 PWs) bands (ev): -25.0305 -25.0305 -7.9545 -7.9545 -6.9033 -6.9033 -6.7465 -6.7465 0.4439 0.4439 1.1461 1.1461 5.4436 5.4436 5.7132 5.7132 6.7373 6.7373 7.0077 7.0077 7.0783 7.0783 7.3423 7.3423 7.7541 7.7541 7.8061 7.8061 7.9020 7.9020 7.9563 7.9563 8.2963 8.2963 8.7010 8.7010 10.1770 10.1770 11.1886 11.1886 11.5147 11.5147 11.6632 11.6632 13.1021 13.1021 k = 0.0132 0.5546 0.5264 ( 2758 PWs) bands (ev): -25.0305 -25.0305 -7.9546 -7.9546 -6.9032 -6.9032 -6.7470 -6.7470 0.4448 0.4448 1.1493 1.1493 5.4441 5.4441 5.7081 5.7081 6.7378 6.7378 7.0091 7.0091 7.0790 7.0790 7.3431 7.3431 7.7526 7.7526 7.8011 7.8011 7.9069 7.9069 7.9600 7.9600 8.2946 8.2946 8.7015 8.7015 10.1663 10.1663 11.1699 11.1699 11.4868 11.4868 11.6355 11.6355 13.1697 13.1697 k = 0.0197 0.5432 0.5395 ( 2762 PWs) bands (ev): -25.0304 -25.0304 -7.9547 -7.9547 -6.9031 -6.9031 -6.7478 -6.7478 0.4462 0.4462 1.1546 1.1546 5.4448 5.4448 5.6998 5.6998 6.7387 6.7387 7.0113 7.0113 7.0803 7.0803 7.3443 7.3443 7.7502 7.7502 7.7940 7.7940 7.9140 7.9140 7.9657 7.9657 8.2916 8.2916 8.7024 8.7024 10.1488 10.1488 11.1395 11.1395 11.4249 11.4249 11.6150 11.6150 13.2723 13.2723 k = 0.0263 0.5318 0.5527 ( 2760 PWs) bands (ev): -25.0303 -25.0303 -7.9548 -7.9548 -6.9029 -6.9029 -6.7489 -6.7489 0.4483 0.4483 1.1620 1.1620 5.4458 5.4458 5.6883 5.6883 6.7401 6.7401 7.0142 7.0142 7.0823 7.0823 7.3460 7.3460 7.7470 7.7470 7.7860 7.7860 7.9224 7.9224 7.9734 7.9734 8.2875 8.2875 8.7036 8.7036 10.1250 10.1250 11.0985 11.0985 11.3316 11.3316 11.6080 11.6080 13.4003 13.4003 k = 0.0329 0.5204 0.5659 ( 2762 PWs) bands (ev): -25.0302 -25.0302 -7.9551 -7.9551 -6.9027 -6.9027 -6.7503 -6.7503 0.4509 0.4509 1.1715 1.1715 5.4468 5.4468 5.6738 5.6738 6.7421 6.7421 7.0175 7.0175 7.0852 7.0852 7.3480 7.3480 7.7429 7.7429 7.7779 7.7779 7.9315 7.9315 7.9826 7.9826 8.2824 8.2824 8.7051 8.7051 10.0956 10.0956 11.0478 11.0478 11.2200 11.2200 11.6091 11.6091 13.5456 13.5456 k = 0.0395 0.5090 0.5790 ( 2764 PWs) bands (ev): -25.0301 -25.0301 -7.9553 -7.9553 -6.9024 -6.9024 -6.7519 -6.7519 0.4540 0.4540 1.1830 1.1830 5.4476 5.4476 5.6563 5.6563 6.7446 6.7446 7.0210 7.0210 7.0891 7.0891 7.3502 7.3502 7.7379 7.7379 7.7705 7.7705 7.9409 7.9409 7.9928 7.9928 8.2763 8.2763 8.7070 8.7070 10.0611 10.0611 10.9887 10.9887 11.0991 11.0991 11.6145 11.6145 13.6902 13.6902 k = 0.0461 0.4976 0.5922 ( 2774 PWs) bands (ev): -25.0299 -25.0299 -7.9557 -7.9557 -6.9021 -6.9021 -6.7538 -6.7538 0.4576 0.4576 1.1966 1.1966 5.4482 5.4482 5.6362 5.6362 6.7477 6.7477 7.0245 7.0245 7.0941 7.0941 7.3525 7.3525 7.7322 7.7322 7.7640 7.7640 7.9503 7.9503 8.0037 8.0037 8.2694 8.2694 8.7092 8.7092 10.0222 10.0222 10.9217 10.9217 10.9749 10.9749 11.6226 11.6226 13.7582 13.7582 k = 0.0526 0.4862 0.6053 ( 2774 PWs) bands (ev): -25.0297 -25.0297 -7.9561 -7.9561 -6.9018 -6.9018 -6.7559 -6.7559 0.4618 0.4618 1.2122 1.2122 5.4483 5.4483 5.6136 5.6136 6.7516 6.7516 7.0280 7.0280 7.1004 7.1004 7.3547 7.3547 7.7262 7.7262 7.7589 7.7589 7.9597 7.9597 8.0151 8.0151 8.2619 8.2619 8.7117 8.7117 9.9799 9.9799 10.8362 10.8362 10.8624 10.8624 11.6324 11.6324 13.8274 13.8274 k = 0.0592 0.4748 0.6185 ( 2774 PWs) bands (ev): -25.0295 -25.0295 -7.9565 -7.9565 -6.9015 -6.9015 -6.7582 -6.7582 0.4665 0.4665 1.2297 1.2297 5.4476 5.4476 5.5888 5.5888 6.7562 6.7562 7.0317 7.0317 7.1077 7.1077 7.3568 7.3568 7.7200 7.7200 7.7549 7.7549 7.9689 7.9689 8.0266 8.0266 8.2538 8.2538 8.7145 8.7145 9.9347 9.9347 10.7162 10.7162 10.7807 10.7807 11.6434 11.6434 13.9025 13.9025 k = 0.0658 0.4634 0.6317 ( 2776 PWs) bands (ev): -25.0293 -25.0293 -7.9570 -7.9570 -6.9012 -6.9012 -6.7606 -6.7606 0.4716 0.4716 1.2490 1.2490 5.4458 5.4458 5.5619 5.5619 6.7617 6.7617 7.0356 7.0356 7.1159 7.1159 7.3586 7.3586 7.7142 7.7142 7.7520 7.7520 7.9775 7.9775 8.0380 8.0380 8.2454 8.2454 8.7175 8.7175 9.8874 9.8874 10.5933 10.5933 10.7007 10.7007 11.6552 11.6552 13.9825 13.9825 k = 0.0724 0.4520 0.6448 ( 2776 PWs) bands (ev): -25.0290 -25.0290 -7.9575 -7.9575 -6.9010 -6.9010 -6.7631 -6.7631 0.4771 0.4771 1.2702 1.2702 5.4428 5.4428 5.5333 5.5333 6.7681 6.7681 7.0398 7.0398 7.1249 7.1249 7.3599 7.3599 7.7091 7.7091 7.7499 7.7499 7.9854 7.9854 8.0492 8.0492 8.2371 8.2371 8.7208 8.7208 9.8385 9.8385 10.4731 10.4731 10.6187 10.6187 11.6674 11.6674 14.0659 14.0659 k = 0.0789 0.4406 0.6580 ( 2780 PWs) bands (ev): -25.0288 -25.0288 -7.9581 -7.9581 -6.9008 -6.9008 -6.7657 -6.7657 0.4830 0.4830 1.2932 1.2932 5.4382 5.4382 5.5032 5.5032 6.7753 6.7753 7.0446 7.0446 7.1345 7.1345 7.3607 7.3607 7.7049 7.7049 7.7487 7.7487 7.9922 7.9922 8.0600 8.0600 8.2289 8.2289 8.7244 8.7244 9.7886 9.7886 10.3567 10.3567 10.5352 10.5352 11.6795 11.6795 14.1514 14.1514 k = 0.0855 0.4292 0.6711 ( 2786 PWs) bands (ev): -25.0285 -25.0285 -7.9587 -7.9587 -6.9007 -6.9007 -6.7683 -6.7683 0.4892 0.4892 1.3178 1.3178 5.4317 5.4317 5.4720 5.4720 6.7834 6.7834 7.0501 7.0501 7.1444 7.1444 7.3608 7.3608 7.7018 7.7018 7.7481 7.7481 7.9976 7.9976 8.0703 8.0703 8.2213 8.2213 8.7281 8.7281 9.7383 9.7383 10.2451 10.2451 10.4505 10.4505 11.6911 11.6911 14.2376 14.2376 k = 0.0921 0.4178 0.6843 ( 2778 PWs) bands (ev): -25.0282 -25.0282 -7.9594 -7.9594 -6.9007 -6.9007 -6.7708 -6.7708 0.4958 0.4958 1.3439 1.3439 5.4225 5.4225 5.4405 5.4405 6.7925 6.7925 7.0565 7.0565 7.1546 7.1546 7.3602 7.3602 7.6998 7.6998 7.7483 7.7483 8.0016 8.0016 8.0801 8.0801 8.2147 8.2147 8.7322 8.7322 9.6880 9.6880 10.1386 10.1386 10.3654 10.3654 11.7016 11.7016 14.3231 14.3231 k = 0.0987 0.4064 0.6975 ( 2782 PWs) bands (ev): -25.0279 -25.0279 -7.9602 -7.9602 -6.9008 -6.9008 -6.7734 -6.7734 0.5027 0.5027 1.3716 1.3716 5.4034 5.4034 5.4159 5.4159 6.8024 6.8024 7.0639 7.0639 7.1649 7.1649 7.3589 7.3589 7.6990 7.6990 7.7489 7.7489 8.0035 8.0035 8.0894 8.0894 8.2093 8.2093 8.7364 8.7364 9.6379 9.6379 10.0377 10.0377 10.2803 10.2803 11.7106 11.7106 14.4067 14.4067 k = 0.1053 0.3950 0.7106 ( 2784 PWs) bands (ev): -25.0276 -25.0276 -7.9609 -7.9609 -6.9011 -6.9011 -6.7758 -6.7758 0.5097 0.5097 1.4006 1.4006 5.3712 5.3712 5.4013 5.4013 6.8132 6.8132 7.0724 7.0724 7.1752 7.1752 7.3569 7.3569 7.6991 7.6991 7.7501 7.7501 8.0034 8.0034 8.0981 8.0981 8.2053 8.2053 8.7409 8.7409 9.5886 9.5886 9.9427 9.9427 10.1957 10.1957 11.7175 11.7175 14.4873 14.4873 k = 0.1118 0.3837 0.7238 ( 2780 PWs) bands (ev): -25.0273 -25.0273 -7.9618 -7.9618 -6.9015 -6.9015 -6.7781 -6.7781 0.5170 0.5170 1.4308 1.4308 5.3376 5.3376 5.3855 5.3855 6.8250 6.8250 7.0819 7.0819 7.1854 7.1854 7.3544 7.3544 7.7002 7.7002 7.7517 7.7517 8.0010 8.0010 8.1065 8.1065 8.2029 8.2029 8.7456 8.7456 9.5403 9.5403 9.8539 9.8539 10.1120 10.1120 11.7217 11.7217 14.5639 14.5639 k = 0.1184 0.3723 0.7369 ( 2788 PWs) bands (ev): -25.0270 -25.0270 -7.9626 -7.9626 -6.9020 -6.9020 -6.7802 -6.7802 0.5243 0.5243 1.4622 1.4622 5.3036 5.3036 5.3672 5.3672 6.8377 6.8377 7.0924 7.0924 7.1954 7.1954 7.3512 7.3512 7.7019 7.7019 7.7536 7.7536 7.9964 7.9964 8.1145 8.1145 8.2021 8.2021 8.7504 8.7504 9.4932 9.4932 9.7712 9.7712 10.0295 10.0295 11.7227 11.7227 14.6360 14.6360 k = 0.1250 0.3609 0.7501 ( 2796 PWs) bands (ev): -25.0267 -25.0267 -7.9635 -7.9635 -6.9027 -6.9027 -6.7821 -6.7821 0.5318 0.5318 1.4944 1.4944 5.2698 5.2698 5.3465 5.3465 6.8512 6.8512 7.1039 7.1039 7.2052 7.2052 7.3476 7.3476 7.7042 7.7042 7.7557 7.7557 7.9898 7.9898 8.1223 8.1223 8.2027 8.2027 8.7554 8.7554 9.4475 9.4475 9.6949 9.6949 9.9487 9.9487 11.7200 11.7200 14.6643 14.6643 k = 0.1316 0.3495 0.7633 ( 2790 PWs) bands (ev): -25.0263 -25.0263 -7.9644 -7.9644 -6.9035 -6.9035 -6.7839 -6.7839 0.5393 0.5393 1.5275 1.5275 5.2363 5.2363 5.3233 5.3233 6.8656 6.8656 7.1161 7.1161 7.2147 7.2147 7.3438 7.3438 7.7069 7.7069 7.7581 7.7581 7.9815 7.9815 8.1301 8.1301 8.2047 8.2047 8.7607 8.7607 9.4033 9.4033 9.6249 9.6249 9.8699 9.8699 11.7132 11.7132 14.6196 14.6196 k = 0.1382 0.3381 0.7764 ( 2790 PWs) bands (ev): -25.0260 -25.0260 -7.9654 -7.9654 -6.9045 -6.9045 -6.7854 -6.7854 0.5468 0.5468 1.5612 1.5612 5.2034 5.2034 5.2978 5.2978 6.8808 6.8808 7.1290 7.1290 7.2239 7.2239 7.3396 7.3396 7.7096 7.7096 7.7605 7.7605 7.9719 7.9719 8.1379 8.1379 8.2078 8.2078 8.7661 8.7661 9.3608 9.3608 9.5610 9.5610 9.7934 9.7934 11.7021 11.7021 14.5843 14.5843 k = 0.1447 0.3267 0.7896 ( 2792 PWs) bands (ev): -25.0257 -25.0257 -7.9663 -7.9663 -6.9056 -6.9056 -6.7867 -6.7867 0.5542 0.5542 1.5952 1.5952 5.1713 5.1713 5.2701 5.2701 6.8968 6.8968 7.1422 7.1422 7.2327 7.2327 7.3354 7.3354 7.7123 7.7123 7.7628 7.7628 7.9611 7.9611 8.1460 8.1460 8.2117 8.2117 8.7718 8.7718 9.3200 9.3200 9.5032 9.5032 9.7197 9.7197 11.6864 11.6864 14.5601 14.5601 k = 0.1513 0.3153 0.8027 ( 2792 PWs) bands (ev): -25.0254 -25.0254 -7.9673 -7.9673 -6.9069 -6.9069 -6.7878 -6.7878 0.5615 0.5615 1.6295 1.6295 5.1401 5.1401 5.2406 5.2406 6.9135 6.9135 7.1556 7.1556 7.2410 7.2410 7.3311 7.3311 7.7147 7.7147 7.7651 7.7651 7.9495 7.9495 8.1544 8.1544 8.2165 8.2165 8.7776 8.7776 9.2807 9.2807 9.4512 9.4512 9.6491 9.6491 11.6663 11.6663 14.5474 14.5474 k = 0.1579 0.3039 0.8159 ( 2800 PWs) bands (ev): -25.0251 -25.0251 -7.9683 -7.9683 -6.9082 -6.9082 -6.7887 -6.7887 0.5686 0.5686 1.6637 1.6637 5.1101 5.1101 5.2096 5.2096 6.9309 6.9309 7.1688 7.1688 7.2488 7.2488 7.3269 7.3269 7.7166 7.7166 7.7670 7.7670 7.9374 7.9374 8.1632 8.1632 8.2219 8.2219 8.7836 8.7836 9.2430 9.2430 9.4047 9.4047 9.5821 9.5821 11.6420 11.6420 14.5465 14.5465 k = 0.1645 0.2925 0.8291 ( 2800 PWs) bands (ev): -25.0248 -25.0248 -7.9692 -7.9692 -6.9096 -6.9096 -6.7894 -6.7894 0.5755 0.5755 1.6975 1.6975 5.0814 5.0814 5.1775 5.1775 6.9488 6.9488 7.1817 7.1817 7.2560 7.2560 7.3229 7.3229 7.7182 7.7182 7.7687 7.7687 7.9248 7.9248 8.1726 8.1726 8.2281 8.2281 8.7898 8.7898 9.2066 9.2066 9.3635 9.3635 9.5191 9.5191 11.6140 11.6140 14.5573 14.5573 k = 0.1711 0.2811 0.8422 ( 2798 PWs) bands (ev): -25.0245 -25.0245 -7.9701 -7.9701 -6.9110 -6.9110 -6.7899 -6.7899 0.5821 0.5821 1.7308 1.7308 5.0541 5.0541 5.1448 5.1448 6.9672 6.9672 7.1941 7.1941 7.2627 7.2627 7.3191 7.3191 7.7191 7.7191 7.7700 7.7700 7.9120 7.9120 8.1826 8.1826 8.2349 8.2349 8.7962 8.7962 9.1712 9.1712 9.3271 9.3271 9.4608 9.4608 11.5828 11.5828 14.5794 14.5794 k = 0.1776 0.2697 0.8554 ( 2794 PWs) bands (ev): -25.0243 -25.0243 -7.9710 -7.9710 -6.9125 -6.9125 -6.7903 -6.7903 0.5884 0.5884 1.7631 1.7631 5.0285 5.0285 5.1120 5.1120 6.9859 6.9859 7.2056 7.2056 7.2687 7.2687 7.3156 7.3156 7.7196 7.7196 7.7709 7.7709 7.8992 7.8992 8.1931 8.1931 8.2424 8.2424 8.8027 8.8027 9.1366 9.1366 9.2953 9.2953 9.4076 9.4076 11.5493 11.5493 14.6125 14.6125 k = 0.1842 0.2583 0.8685 ( 2798 PWs) bands (ev): -25.0240 -25.0240 -7.9719 -7.9719 -6.9139 -6.9139 -6.7906 -6.7906 0.5944 0.5944 1.7943 1.7943 5.0045 5.0045 5.0796 5.0796 7.0048 7.0048 7.2162 7.2162 7.2738 7.2738 7.3124 7.3124 7.7196 7.7196 7.7715 7.7715 7.8864 7.8864 8.2041 8.2041 8.2503 8.2503 8.8092 8.8092 9.1023 9.1023 9.2676 9.2676 9.3599 9.3599 11.5144 11.5144 14.6558 14.6558 k = 0.1908 0.2469 0.8817 ( 2798 PWs) bands (ev): -25.0238 -25.0238 -7.9727 -7.9727 -6.9153 -6.9153 -6.7907 -6.7907 0.5999 0.5999 1.8239 1.8239 4.9824 4.9824 5.0481 5.0481 7.0236 7.0236 7.2257 7.2257 7.2782 7.2782 7.3096 7.3096 7.7192 7.7192 7.7716 7.7716 7.8738 7.8738 8.2156 8.2156 8.2587 8.2587 8.8157 8.8157 9.0684 9.0684 9.2438 9.2438 9.3183 9.3183 11.4788 11.4788 14.7089 14.7089 k = 0.1974 0.2355 0.8949 ( 2796 PWs) bands (ev): -25.0236 -25.0236 -7.9735 -7.9735 -6.9167 -6.9167 -6.7908 -6.7908 0.6049 0.6049 1.8516 1.8516 4.9623 4.9623 5.0181 5.0181 7.0422 7.0422 7.2340 7.2340 7.2817 7.2817 7.3072 7.3072 7.7185 7.7185 7.7714 7.7714 7.8615 7.8615 8.2274 8.2274 8.2671 8.2671 8.8220 8.8220 9.0349 9.0349 9.2235 9.2235 9.2827 9.2827 11.4437 11.4437 14.7709 14.7709 k = 0.2039 0.2241 0.9080 ( 2792 PWs) bands (ev): -25.0234 -25.0234 -7.9742 -7.9742 -6.9179 -6.9179 -6.7908 -6.7908 0.6095 0.6095 1.8771 1.8771 4.9442 4.9442 4.9902 4.9902 7.0603 7.0603 7.2410 7.2410 7.2843 7.2843 7.3053 7.3053 7.7176 7.7176 7.7710 7.7710 7.8499 7.8499 8.2395 8.2395 8.2755 8.2755 8.8279 8.8279 9.0024 9.0024 9.2062 9.2062 9.2530 9.2530 11.4100 11.4100 14.8410 14.8410 k = 0.2105 0.2127 0.9212 ( 2790 PWs) bands (ev): -25.0232 -25.0232 -7.9748 -7.9748 -6.9190 -6.9190 -6.7907 -6.7907 0.6136 0.6136 1.9001 1.9001 4.9281 4.9281 4.9649 4.9649 7.0776 7.0776 7.2468 7.2468 7.2861 7.2861 7.3037 7.3037 7.7165 7.7165 7.7704 7.7704 7.8390 7.8390 8.2515 8.2515 8.2834 8.2834 8.8333 8.8333 8.9716 8.9716 9.1917 9.1917 9.2289 9.2289 11.3786 11.3786 14.9185 14.9185 k = 0.2171 0.2013 0.9343 ( 2794 PWs) bands (ev): -25.0231 -25.0231 -7.9753 -7.9753 -6.9200 -6.9200 -6.7907 -6.7907 0.6170 0.6170 1.9202 1.9202 4.9140 4.9140 4.9429 4.9429 7.0936 7.0936 7.2512 7.2512 7.2873 7.2873 7.3023 7.3023 7.7154 7.7154 7.7695 7.7695 7.8293 7.8293 8.2631 8.2631 8.2906 8.2906 8.8378 8.8378 8.9437 8.9437 9.1796 9.1796 9.2097 9.2097 11.3504 11.3504 15.0024 15.0024 k = 0.2237 0.1899 0.9475 ( 2800 PWs) bands (ev): -25.0230 -25.0230 -7.9757 -7.9757 -6.9208 -6.9208 -6.7906 -6.7906 0.6199 0.6199 1.9371 1.9371 4.9020 4.9020 4.9246 4.9246 7.1079 7.1079 7.2544 7.2544 7.2881 7.2881 7.3011 7.3011 7.7143 7.7143 7.7686 7.7686 7.8209 7.8209 8.2739 8.2739 8.2966 8.2966 8.8410 8.8410 8.9198 8.9198 9.1699 9.1699 9.1949 9.1949 11.3261 11.3261 15.0915 15.0915 k = 0.2303 0.1785 0.9607 ( 2796 PWs) bands (ev): -25.0229 -25.0229 -7.9761 -7.9761 -6.9214 -6.9214 -6.7905 -6.7905 0.6221 0.6221 1.9505 1.9505 4.8919 4.8919 4.9107 4.9107 7.1200 7.1200 7.2565 7.2565 7.2887 7.2887 7.3000 7.3000 7.7134 7.7134 7.7676 7.7676 7.8143 7.8143 8.2835 8.2835 8.3014 8.3014 8.8422 8.8422 8.9014 8.9014 9.1624 9.1624 9.1841 9.1841 11.3065 11.3065 15.1844 15.1844 k = 0.2368 0.1671 0.9738 ( 2798 PWs) bands (ev): -25.0228 -25.0228 -7.9764 -7.9764 -6.9219 -6.9219 -6.7905 -6.7905 0.6238 0.6238 1.9603 1.9603 4.8840 4.8840 4.9011 4.9011 7.1292 7.1292 7.2577 7.2577 7.2891 7.2891 7.2990 7.2990 7.7127 7.7127 7.7667 7.7667 7.8095 7.8095 8.2912 8.2912 8.3046 8.3046 8.8413 8.8413 8.8893 8.8893 9.1570 9.1570 9.1768 9.1768 11.2920 11.2920 15.2778 15.2778 k = 0.2434 0.1557 0.9870 ( 2792 PWs) bands (ev): -25.0228 -25.0228 -7.9765 -7.9765 -6.9222 -6.9222 -6.7904 -6.7904 0.6248 0.6248 1.9662 1.9662 4.8789 4.8789 4.8957 4.8957 7.1351 7.1351 7.2583 7.2583 7.2895 7.2895 7.2983 7.2983 7.7123 7.7123 7.7661 7.7661 7.8067 7.8067 8.2966 8.2966 8.3062 8.3062 8.8393 8.8393 8.8833 8.8833 9.1538 9.1538 9.1726 9.1726 11.2832 11.2832 15.3617 15.3617 k = 0.2500 0.1443 1.0001 ( 2788 PWs) bands (ev): -25.0228 -25.0228 -7.9766 -7.9766 -6.9223 -6.9223 -6.7904 -6.7904 0.6251 0.6251 1.9682 1.9682 4.8771 4.8771 4.8939 4.8939 7.1371 7.1371 7.2584 7.2584 7.2896 7.2896 7.2981 7.2981 7.7122 7.7122 7.7659 7.7659 7.8057 7.8057 8.2986 8.2986 8.3066 8.3066 8.8383 8.8383 8.8816 8.8816 9.1527 9.1527 9.1712 9.1712 11.2802 11.2802 15.3961 15.3961 k = 0.2500 0.1443 1.0001 ( 2788 PWs) bands (ev): -25.0228 -25.0228 -7.9766 -7.9766 -6.9223 -6.9223 -6.7904 -6.7904 0.6251 0.6251 1.9682 1.9682 4.8771 4.8771 4.8939 4.8939 7.1371 7.1371 7.2584 7.2584 7.2896 7.2896 7.2981 7.2981 7.7122 7.7122 7.7659 7.7659 7.8057 7.8057 8.2986 8.2986 8.3066 8.3066 8.8383 8.8383 8.8816 8.8816 9.1527 9.1527 9.1712 9.1712 11.2802 11.2802 15.3961 15.3961 k = 0.2639 0.1523 0.9909 ( 2794 PWs) bands (ev): -25.0228 -25.0228 -7.9765 -7.9765 -6.9223 -6.9223 -6.7904 -6.7904 0.6250 0.6250 1.9679 1.9679 4.8775 4.8775 4.8945 4.8945 7.1303 7.1303 7.2598 7.2598 7.2830 7.2830 7.3094 7.3094 7.7117 7.7117 7.7661 7.7661 7.8059 7.8059 8.2981 8.2981 8.3064 8.3064 8.8377 8.8377 8.8832 8.8832 9.1536 9.1536 9.1708 9.1708 11.2835 11.2835 15.3330 15.3330 k = 0.2778 0.1603 0.9816 ( 2798 PWs) bands (ev): -25.0228 -25.0228 -7.9765 -7.9765 -6.9222 -6.9222 -6.7904 -6.7904 0.6246 0.6246 1.9667 1.9667 4.8782 4.8782 4.8968 4.8968 7.1119 7.1119 7.2575 7.2575 7.2830 7.2830 7.3278 7.3278 7.7109 7.7109 7.7663 7.7663 7.8062 7.8062 8.2962 8.2962 8.3065 8.3065 8.8358 8.8358 8.8885 8.8885 9.1546 9.1546 9.1713 9.1713 11.2930 11.2930 15.2577 15.2577 k = 0.2917 0.1684 0.9724 ( 2796 PWs) bands (ev): -25.0228 -25.0228 -7.9764 -7.9764 -6.9221 -6.9221 -6.7905 -6.7905 0.6241 0.6241 1.9645 1.9645 4.8799 4.8799 4.9005 4.9005 7.0867 7.0867 7.2490 7.2490 7.2911 7.2911 7.3498 7.3498 7.7099 7.7099 7.7664 7.7664 7.8065 7.8065 8.2931 8.2931 8.3065 8.3065 8.8331 8.8331 8.8973 8.8973 9.1554 9.1554 9.1730 9.1730 11.3083 11.3083 15.1827 15.1827 k = 0.3056 0.1764 0.9631 ( 2794 PWs) bands (ev): -25.0228 -25.0228 -7.9764 -7.9764 -6.9219 -6.9219 -6.7905 -6.7905 0.6236 0.6236 1.9610 1.9610 4.8833 4.8833 4.9052 4.9052 7.0576 7.0576 7.2389 7.2389 7.3010 7.3010 7.3738 7.3738 7.7086 7.7086 7.7664 7.7664 7.8066 7.8066 8.2890 8.2890 8.3064 8.3064 8.8302 8.8302 8.9092 8.9092 9.1556 9.1556 9.1762 9.1762 11.3289 11.3289 15.1090 15.1090 k = 0.3194 0.1844 0.9538 ( 2786 PWs) bands (ev): -25.0229 -25.0229 -7.9762 -7.9762 -6.9217 -6.9217 -6.7905 -6.7905 0.6233 0.6233 1.9560 1.9560 4.8887 4.8887 4.9108 4.9108 7.0266 7.0266 7.2285 7.2285 7.3106 7.3106 7.3989 7.3989 7.7070 7.7070 7.7662 7.7662 7.8065 7.8065 8.2840 8.2840 8.3062 8.3062 8.8278 8.8278 8.9239 8.9239 9.1553 9.1553 9.1806 9.1806 11.3542 11.3542 15.0371 15.0371 k = 0.3333 0.1924 0.9446 ( 2780 PWs) bands (ev): -25.0229 -25.0229 -7.9761 -7.9761 -6.9214 -6.9214 -6.7906 -6.7906 0.6231 0.6231 1.9494 1.9494 4.8963 4.8963 4.9172 4.9172 6.9947 6.9947 7.2180 7.2180 7.3196 7.3196 7.4241 7.4241 7.7053 7.7053 7.7656 7.7656 7.8060 7.8060 8.2778 8.2778 8.3059 8.3059 8.8264 8.8264 8.9410 8.9410 9.1546 9.1546 9.1862 9.1862 11.3832 11.3832 14.9676 14.9676 k = 0.3472 0.2004 0.9353 ( 2782 PWs) bands (ev): -25.0229 -25.0229 -7.9760 -7.9760 -6.9211 -6.9211 -6.7907 -6.7907 0.6233 0.6233 1.9408 1.9408 4.9064 4.9064 4.9243 4.9243 6.9626 6.9626 7.2074 7.2074 7.3279 7.3279 7.4486 7.4486 7.7033 7.7033 7.7645 7.7645 7.8052 7.8052 8.2708 8.2708 8.3055 8.3055 8.8263 8.8263 8.9601 8.9601 9.1538 9.1538 9.1926 9.1926 11.4152 11.4152 14.9009 14.9009 k = 0.3611 0.2085 0.9261 ( 2787 PWs) bands (ev): -25.0230 -25.0230 -7.9758 -7.9758 -6.9207 -6.9207 -6.7908 -6.7908 0.6238 0.6238 1.9303 1.9303 4.9186 4.9186 4.9325 4.9325 6.9307 6.9307 7.1968 7.1968 7.3355 7.3355 7.4723 7.4723 7.7012 7.7012 7.7628 7.7628 7.8039 7.8039 8.2630 8.2630 8.3050 8.3050 8.8278 8.8278 8.9812 8.9812 9.1529 9.1529 9.1995 9.1995 11.4494 11.4494 14.8374 14.8374 k = 0.3750 0.2165 0.9168 ( 2789 PWs) bands (ev): -25.0230 -25.0230 -7.9756 -7.9756 -6.9203 -6.9203 -6.7909 -6.7909 0.6247 0.6247 1.9178 1.9178 4.9318 4.9318 4.9430 4.9430 6.8994 6.8994 7.1863 7.1863 7.3424 7.3424 7.4950 7.4950 7.6990 7.6990 7.7605 7.7605 7.8024 7.8024 8.2544 8.2544 8.3044 8.3044 8.8311 8.8311 9.0038 9.0038 9.1521 9.1521 9.2070 9.2070 11.4847 11.4847 14.7773 14.7773 k = 0.3889 0.2245 0.9076 ( 2788 PWs) bands (ev): -25.0231 -25.0231 -7.9753 -7.9753 -6.9199 -6.9199 -6.7910 -6.7910 0.6261 0.6261 1.9033 1.9033 4.9433 4.9433 4.9583 4.9583 6.8691 6.8691 7.1758 7.1758 7.3485 7.3485 7.5164 7.5164 7.6966 7.6966 7.7576 7.7576 7.8007 7.8007 8.2453 8.2453 8.3038 8.3038 8.8364 8.8364 9.0279 9.0279 9.1515 9.1515 9.2150 9.2150 11.5200 11.5200 14.7209 14.7209 k = 0.4028 0.2325 0.8983 ( 2788 PWs) bands (ev): -25.0232 -25.0232 -7.9751 -7.9751 -6.9194 -6.9194 -6.7912 -6.7912 0.6281 0.6281 1.8867 1.8867 4.9531 4.9531 4.9781 4.9781 6.8401 6.8401 7.1655 7.1655 7.3538 7.3538 7.5365 7.5365 7.6939 7.6939 7.7540 7.7540 7.7988 7.7988 8.2357 8.2357 8.3032 8.3032 8.8435 8.8435 9.0529 9.0529 9.1511 9.1511 9.2234 9.2234 11.5545 11.5545 14.6686 14.6686 k = 0.4167 0.2405 0.8890 ( 2786 PWs) bands (ev): -25.0232 -25.0232 -7.9748 -7.9748 -6.9188 -6.9188 -6.7914 -6.7914 0.6304 0.6304 1.8682 1.8682 4.9628 4.9628 5.0011 5.0011 6.8125 6.8125 7.1553 7.1553 7.3581 7.3581 7.5553 7.5553 7.6910 7.6910 7.7499 7.7499 7.7967 7.7967 8.2258 8.2258 8.3026 8.3026 8.8526 8.8526 9.0785 9.0785 9.1513 9.1513 9.2323 9.2323 11.5869 11.5869 14.6205 14.6205 k = 0.4306 0.2485 0.8798 ( 2790 PWs) bands (ev): -25.0233 -25.0233 -7.9745 -7.9745 -6.9182 -6.9182 -6.7915 -6.7915 0.6333 0.6333 1.8479 1.8479 4.9726 4.9726 5.0265 5.0265 6.7866 6.7866 7.1453 7.1453 7.3615 7.3615 7.5727 7.5727 7.6876 7.6876 7.7455 7.7455 7.7946 7.7946 8.2155 8.2155 8.3020 8.3020 8.8635 8.8635 9.1035 9.1035 9.1529 9.1529 9.2415 9.2415 11.6162 11.6162 14.5768 14.5768 k = 0.4444 0.2566 0.8705 ( 2790 PWs) bands (ev): -25.0234 -25.0234 -7.9742 -7.9742 -6.9175 -6.9175 -6.7917 -6.7917 0.6366 0.6366 1.8259 1.8259 4.9826 4.9826 5.0538 5.0538 6.7625 6.7625 7.1356 7.1356 7.3640 7.3640 7.5886 7.5886 7.6836 7.6836 7.7412 7.7412 7.7926 7.7926 8.2052 8.2052 8.3013 8.3013 8.8761 8.8761 9.1252 9.1252 9.1584 9.1584 9.2514 9.2514 11.6417 11.6417 14.5376 14.5376 k = 0.4583 0.2646 0.8613 ( 2784 PWs) bands (ev): -25.0235 -25.0235 -7.9739 -7.9739 -6.9168 -6.9168 -6.7920 -6.7920 0.6403 0.6403 1.8025 1.8025 4.9931 4.9931 5.0828 5.0828 6.7403 6.7403 7.1263 7.1263 7.3654 7.3654 7.6027 7.6027 7.6790 7.6790 7.7374 7.7374 7.7907 7.7907 8.1949 8.1949 8.3007 8.3007 8.8902 8.8902 9.1371 9.1371 9.1741 9.1741 9.2621 9.2621 11.6624 11.6624 14.5034 14.5034 k = 0.4722 0.2726 0.8520 ( 2781 PWs) bands (ev): -25.0236 -25.0236 -7.9735 -7.9735 -6.9160 -6.9160 -6.7922 -6.7922 0.6442 0.6442 1.7779 1.7779 5.0039 5.0039 5.1131 5.1131 6.7202 6.7202 7.1176 7.1176 7.3656 7.3656 7.6142 7.6142 7.6741 7.6741 7.7345 7.7345 7.7890 7.7890 8.1846 8.1846 8.3001 8.3001 8.9054 8.9054 9.1414 9.1414 9.1974 9.1974 9.2740 9.2740 11.6778 11.6778 14.4742 14.4742 k = 0.4861 0.2806 0.8428 ( 2785 PWs) bands (ev): -25.0237 -25.0237 -7.9731 -7.9731 -6.9152 -6.9152 -6.7924 -6.7924 0.6482 0.6482 1.7523 1.7523 5.0151 5.0151 5.1441 5.1441 6.7022 6.7022 7.1094 7.1094 7.3648 7.3648 7.6215 7.6215 7.6703 7.6703 7.7328 7.7328 7.7874 7.7874 8.1747 8.1747 8.2994 8.2994 8.9212 8.9212 9.1433 9.1433 9.2227 9.2227 9.2874 9.2874 11.6877 11.6877 14.4503 14.4503 k = 0.5000 0.2886 0.8335 ( 2778 PWs) bands (ev): -25.0238 -25.0238 -7.9727 -7.9727 -6.9144 -6.9144 -6.7927 -6.7927 0.6522 0.6522 1.7262 1.7262 5.0267 5.0267 5.1756 5.1756 6.6864 6.6864 7.1021 7.1021 7.3629 7.3629 7.6221 7.6221 7.6702 7.6702 7.7327 7.7327 7.7864 7.7864 8.1650 8.1650 8.2988 8.2988 8.9371 8.9371 9.1448 9.1448 9.2479 9.2479 9.3031 9.3031 11.6919 11.6919 14.4317 14.4317 k = 0.5000 0.2886 0.8335 ( 2778 PWs) bands (ev): -25.0238 -25.0238 -7.9727 -7.9727 -6.9144 -6.9144 -6.7927 -6.7927 0.6522 0.6522 1.7262 1.7262 5.0267 5.0267 5.1756 5.1756 6.6864 6.6864 7.1021 7.1021 7.3629 7.3629 7.6221 7.6221 7.6702 7.6702 7.7327 7.7327 7.7864 7.7864 8.1650 8.1650 8.2988 8.2988 8.9371 8.9371 9.1448 9.1448 9.2479 9.2479 9.3031 9.3031 11.6919 11.6919 14.4317 14.4317 k = 0.5000 0.2886 0.8150 ( 2778 PWs) bands (ev): -25.0240 -25.0240 -7.9718 -7.9718 -6.9125 -6.9125 -6.7932 -6.7932 0.6602 0.6602 1.6723 1.6723 5.0516 5.0516 5.2402 5.2402 6.6555 6.6555 7.0881 7.0881 7.3574 7.3574 7.6147 7.6147 7.6748 7.6748 7.7343 7.7343 7.7849 7.7849 8.1467 8.1467 8.2975 8.2975 8.9704 8.9704 9.1482 9.1482 9.2966 9.2966 9.3412 9.3412 11.6952 11.6952 14.3981 14.3981 k = 0.5000 0.2886 0.7965 ( 2774 PWs) bands (ev): -25.0243 -25.0243 -7.9708 -7.9708 -6.9104 -6.9104 -6.7937 -6.7937 0.6686 0.6686 1.6159 1.6159 5.0791 5.0791 5.3075 5.3075 6.6219 6.6219 7.0736 7.0736 7.3508 7.3508 7.6056 7.6056 7.6796 7.6796 7.7368 7.7368 7.7842 7.7842 8.1299 8.1299 8.2960 8.2960 9.0067 9.0067 9.1531 9.1531 9.3417 9.3417 9.3898 9.3898 11.6993 11.6993 14.3620 14.3620 k = 0.5000 0.2886 0.7779 ( 2780 PWs) bands (ev): -25.0246 -25.0246 -7.9697 -7.9697 -6.9082 -6.9082 -6.7943 -6.7943 0.6772 0.6772 1.5575 1.5575 5.1090 5.1090 5.3768 5.3768 6.5860 6.5860 7.0590 7.0590 7.3431 7.3431 7.5952 7.5952 7.6841 7.6841 7.7401 7.7401 7.7845 7.7845 8.1147 8.1147 8.2944 8.2944 9.0444 9.0444 9.1611 9.1611 9.3851 9.3851 9.4467 9.4467 11.7041 11.7041 14.3236 14.3236 k = 0.5000 0.2886 0.7594 ( 2780 PWs) bands (ev): -25.0249 -25.0249 -7.9685 -7.9685 -6.9057 -6.9057 -6.7949 -6.7949 0.6859 0.6859 1.4976 1.4976 5.1415 5.1415 5.4474 5.4474 6.5480 6.5480 7.0447 7.0447 7.3342 7.3342 7.5837 7.5837 7.6875 7.6875 7.7447 7.7447 7.7863 7.7863 8.1016 8.1016 8.2927 8.2927 9.0797 9.0797 9.1760 9.1760 9.4300 9.4300 9.5089 9.5089 11.7098 11.7098 14.2829 14.2829 k = 0.5000 0.2886 0.7409 ( 2782 PWs) bands (ev): -25.0252 -25.0252 -7.9673 -7.9673 -6.9031 -6.9031 -6.7955 -6.7955 0.6946 0.6946 1.4367 1.4367 5.1764 5.1764 5.5186 5.5186 6.5081 6.5081 7.0309 7.0309 7.3241 7.3241 7.5713 7.5713 7.6892 7.6892 7.7505 7.7505 7.7899 7.7899 8.0905 8.0905 8.2910 8.2910 9.1062 9.1062 9.2040 9.2040 9.4782 9.4782 9.5745 9.5745 11.7166 11.7166 14.2401 14.2401 k = 0.5000 0.2886 0.7224 ( 2786 PWs) bands (ev): -25.0255 -25.0255 -7.9659 -7.9659 -6.9002 -6.9002 -6.7962 -6.7962 0.7030 0.7030 1.3751 1.3751 5.2138 5.2138 5.5897 5.5897 6.4668 6.4668 7.0179 7.0179 7.3126 7.3126 7.5582 7.5582 7.6890 7.6890 7.7578 7.7578 7.7958 7.7958 8.0815 8.0815 8.2892 8.2892 9.1216 9.1216 9.2475 9.2475 9.5305 9.5305 9.6429 9.6429 11.7246 11.7246 14.1946 14.1946 k = 0.5000 0.2886 0.7038 ( 2778 PWs) bands (ev): -25.0259 -25.0259 -7.9645 -7.9645 -6.8972 -6.8972 -6.7969 -6.7969 0.7112 0.7112 1.3133 1.3133 5.2536 5.2536 5.6602 5.6602 6.4245 6.4245 7.0058 7.0058 7.3000 7.3000 7.5445 7.5445 7.6867 7.6867 7.7663 7.7663 7.8041 7.8041 8.0748 8.0748 8.2873 8.2873 9.1303 9.1303 9.3018 9.3018 9.5872 9.5872 9.7136 9.7136 11.7338 11.7338 14.1453 14.1453 k = 0.5000 0.2886 0.6853 ( 2774 PWs) bands (ev): -25.0262 -25.0262 -7.9630 -7.9630 -6.8940 -6.8940 -6.7976 -6.7976 0.7188 0.7188 1.2514 1.2514 5.2957 5.2957 5.7296 5.7296 6.3814 6.3814 6.9949 6.9949 7.2863 7.2863 7.5304 7.5304 7.6828 7.6828 7.7755 7.7755 7.8148 7.8148 8.0703 8.0703 8.2855 8.2855 9.1359 9.1359 9.3632 9.3632 9.6484 9.6484 9.7866 9.7866 11.7446 11.7446 14.0828 14.0828 k = 0.5000 0.2886 0.6668 ( 2774 PWs) bands (ev): -25.0266 -25.0266 -7.9614 -7.9614 -6.8906 -6.8906 -6.7983 -6.7983 0.7258 0.7258 1.1898 1.1898 5.3401 5.3401 5.7974 5.7974 6.3380 6.3380 6.9852 6.9852 7.2714 7.2714 7.5159 7.5159 7.6773 7.6773 7.7854 7.7854 7.8279 7.8279 8.0678 8.0678 8.2835 8.2835 9.1400 9.1400 9.4299 9.4299 9.7144 9.7144 9.8616 9.8616 11.7570 11.7570 14.0011 14.0011 k = 0.5000 0.2886 0.6483 ( 2770 PWs) bands (ev): -25.0270 -25.0270 -7.9598 -7.9598 -6.8871 -6.8871 -6.7990 -6.7990 0.7321 0.7321 1.1287 1.1287 5.3868 5.3868 5.8632 5.8632 6.2947 6.2947 6.9769 6.9769 7.2556 7.2556 7.5010 7.5010 7.6709 7.6709 7.7954 7.7954 7.8434 7.8434 8.0673 8.0673 8.2819 8.2819 9.1434 9.1434 9.5009 9.5009 9.7851 9.7851 9.9386 9.9386 11.7714 11.7714 13.9141 13.9141 k = 0.5000 0.2886 0.6298 ( 2774 PWs) bands (ev): -25.0274 -25.0274 -7.9580 -7.9580 -6.8833 -6.8833 -6.7997 -6.7997 0.7373 0.7373 1.0682 1.0682 5.4357 5.4357 5.9266 5.9266 6.2519 6.2519 6.9701 6.9701 7.2389 7.2389 7.4861 7.4861 7.6636 7.6636 7.8057 7.8057 7.8608 7.8608 8.0686 8.0686 8.2803 8.2803 9.1462 9.1462 9.5758 9.5758 9.8604 9.8604 10.0175 10.0175 11.7878 11.7878 13.8255 13.8255 k = 0.5000 0.2886 0.6112 ( 2772 PWs) bands (ev): -25.0279 -25.0279 -7.9563 -7.9563 -6.8794 -6.8794 -6.8004 -6.8004 0.7416 0.7416 1.0086 1.0086 5.4867 5.4867 5.9875 5.9875 6.2099 6.2099 6.9649 6.9649 7.2215 7.2215 7.4711 7.4711 7.6556 7.6556 7.8163 7.8163 7.8800 7.8800 8.0718 8.0718 8.2788 8.2788 9.1488 9.1488 9.6542 9.6542 9.9402 9.9402 10.0982 10.0982 11.8067 11.8067 13.7364 13.7364 k = 0.5000 0.2886 0.5927 ( 2766 PWs) bands (ev): -25.0283 -25.0283 -7.9544 -7.9544 -6.8754 -6.8754 -6.8011 -6.8011 0.7446 0.7446 0.9501 0.9501 5.5398 5.5398 6.0454 6.0454 6.1692 6.1692 6.9612 6.9612 7.2036 7.2036 7.4561 7.4561 7.6471 7.6471 7.8271 7.8271 7.9009 7.9009 8.0767 8.0767 8.2776 8.2776 9.1511 9.1511 9.7358 9.7358 10.0242 10.0242 10.1808 10.1808 11.8284 11.8284 13.6477 13.6477 k = 0.5000 0.2886 0.5742 ( 2766 PWs) bands (ev): -25.0287 -25.0287 -7.9525 -7.9525 -6.8712 -6.8712 -6.8018 -6.8018 0.7463 0.7463 0.8927 0.8927 5.5949 5.5949 6.0990 6.0990 6.1313 6.1313 6.9593 6.9593 7.1853 7.1853 7.4411 7.4411 7.6381 7.6381 7.8382 7.8382 7.9232 7.9232 8.0830 8.0830 8.2766 8.2766 9.1533 9.1533 9.8203 9.8203 10.1120 10.1120 10.2651 10.2651 11.8532 11.8532 13.5600 13.5600 k = 0.5000 0.2886 0.5557 ( 2766 PWs) bands (ev): -25.0292 -25.0292 -7.9506 -7.9506 -6.8669 -6.8669 -6.8024 -6.8024 0.7465 0.7465 0.8367 0.8367 5.6520 5.6520 6.0901 6.0901 6.1546 6.1546 6.9591 6.9591 7.1667 7.1667 7.4263 7.4263 7.6286 7.6286 7.8494 7.8494 7.9469 7.9469 8.0907 8.0907 8.2760 8.2760 9.1553 9.1553 9.9073 9.9073 10.2030 10.2030 10.3512 10.3512 11.8816 11.8816 13.4741 13.4741 k = 0.5000 0.2886 0.5371 ( 2762 PWs) bands (ev): -25.0296 -25.0296 -7.9486 -7.9486 -6.8624 -6.8624 -6.8031 -6.8031 0.7447 0.7447 0.7827 0.7827 5.7108 5.7108 6.0545 6.0545 6.2033 6.2033 6.9606 6.9606 7.1479 7.1479 7.4116 7.4116 7.6189 7.6189 7.8609 7.8609 7.9717 7.9717 8.0998 8.0998 8.2760 8.2760 9.1572 9.1572 9.9967 9.9967 10.2968 10.2968 10.4389 10.4389 11.9141 11.9141 13.3903 13.3903 k = 0.5000 0.2886 0.5186 ( 2758 PWs) bands (ev): -25.0301 -25.0301 -7.9466 -7.9466 -6.8579 -6.8579 -6.8037 -6.8037 0.7249 0.7249 0.7467 0.7467 5.7714 5.7714 6.0206 6.0206 6.2495 6.2495 6.9640 6.9640 7.1291 7.1291 7.3972 7.3972 7.6087 7.6087 7.8724 7.8724 7.9976 7.9976 8.1100 8.1100 8.2765 8.2765 9.1589 9.1589 10.0879 10.0879 10.3924 10.3924 10.5284 10.5284 11.9513 11.9513 13.3094 13.3094 k = 0.5000 0.2886 0.5001 ( 2770 PWs) bands (ev): -25.0305 -25.0305 -7.9446 -7.9446 -6.8532 -6.8532 -6.8043 -6.8043 0.6751 0.6751 0.7407 0.7407 5.8334 5.8334 5.9889 5.9889 6.2928 6.2928 6.9689 6.9689 7.1104 7.1104 7.3830 7.3830 7.5982 7.5982 7.8838 7.8838 8.0242 8.0242 8.1213 8.1213 8.2778 8.2778 9.1604 9.1604 10.1806 10.1806 10.4890 10.4890 10.6194 10.6194 11.9938 11.9938 13.2319 13.2319 k = 0.5000 0.2886 0.4816 ( 2756 PWs) bands (ev): -25.0310 -25.0310 -7.9425 -7.9425 -6.8485 -6.8485 -6.8048 -6.8048 0.6251 0.6251 0.7350 0.7350 5.8957 5.8957 5.9606 5.9606 6.3334 6.3334 6.9756 6.9756 7.0921 7.0921 7.3692 7.3692 7.5875 7.5875 7.8952 7.8952 8.0516 8.0516 8.1340 8.1340 8.2802 8.2802 9.1618 9.1618 10.2744 10.2744 10.5856 10.5856 10.7121 10.7121 12.0424 12.0424 13.1583 13.1583 k = 0.5000 0.2886 0.4631 ( 2756 PWs) bands (ev): -25.0314 -25.0314 -7.9405 -7.9405 -6.8438 -6.8438 -6.8052 -6.8052 0.5767 0.5767 0.7280 0.7280 5.9248 5.9248 5.9690 5.9690 6.3714 6.3714 6.9838 6.9838 7.0742 7.0742 7.3556 7.3556 7.5765 7.5765 7.9062 7.9062 8.0788 8.0788 8.1481 8.1481 8.2839 8.2839 9.1630 9.1630 10.3684 10.3684 10.6811 10.6811 10.8062 10.8062 12.0977 12.0977 13.0890 13.0890 k = 0.5000 0.2886 0.4445 ( 2756 PWs) bands (ev): -25.0319 -25.0319 -7.9384 -7.9384 -6.8390 -6.8390 -6.8057 -6.8057 0.5298 0.5298 0.7197 0.7197 5.9023 5.9023 6.0326 6.0326 6.4068 6.4068 6.9932 6.9932 7.0572 7.0572 7.3424 7.3424 7.5652 7.5652 7.9167 7.9167 8.1052 8.1052 8.1644 8.1644 8.2890 8.2890 9.1640 9.1640 10.4622 10.4622 10.7745 10.7745 10.9019 10.9019 12.1604 12.1604 13.0233 13.0233 k = 0.5000 0.2886 0.4260 ( 2754 PWs) bands (ev): -25.0323 -25.0323 -7.9364 -7.9364 -6.8343 -6.8343 -6.8060 -6.8060 0.4847 0.4847 0.7100 0.7100 5.8792 5.8792 6.1000 6.1000 6.4399 6.4399 7.0021 7.0021 7.0426 7.0426 7.3295 7.3295 7.5537 7.5537 7.9267 7.9267 8.1295 8.1295 8.1839 8.1839 8.2960 8.2960 9.1646 9.1646 10.5548 10.5548 10.8646 10.8646 10.9989 10.9989 12.2310 12.2310 12.9275 12.9275 k = 0.5000 0.2886 0.4075 ( 2762 PWs) bands (ev): -25.0328 -25.0328 -7.9343 -7.9343 -6.8296 -6.8296 -6.8062 -6.8062 0.4413 0.4413 0.6992 0.6992 5.8578 5.8578 6.1689 6.1689 6.4709 6.4709 7.0047 7.0047 7.0365 7.0365 7.3170 7.3170 7.5419 7.5419 7.9355 7.9355 8.1506 8.1506 8.2071 8.2071 8.3054 8.3054 9.1650 9.1650 10.6453 10.6453 10.9505 10.9505 11.0973 11.0973 12.3096 12.3096 12.8090 12.8090 k = 0.5000 0.2886 0.3890 ( 2764 PWs) bands (ev): -25.0332 -25.0332 -7.9323 -7.9323 -6.8251 -6.8251 -6.8061 -6.8061 0.3998 0.3998 0.6872 0.6872 5.8382 5.8382 6.2387 6.2387 6.4999 6.4999 6.9951 6.9951 7.0445 7.0445 7.3049 7.3049 7.5300 7.5300 7.9434 7.9434 8.1689 8.1689 8.2331 8.2331 8.3179 8.3179 9.1650 9.1650 10.7324 10.7324 11.0316 11.0316 11.1969 11.1969 12.3960 12.3960 12.6874 12.6874 k = 0.5000 0.2886 0.3704 ( 2758 PWs) bands (ev): -25.0337 -25.0337 -7.9303 -7.9303 -6.8209 -6.8209 -6.8058 -6.8058 0.3601 0.3601 0.6742 0.6742 5.8205 5.8205 6.3093 6.3093 6.5272 6.5272 6.9811 6.9811 7.0589 7.0589 7.2934 7.2934 7.5178 7.5178 7.9499 7.9499 8.1855 8.1855 8.2600 8.2600 8.3346 8.3346 9.1647 9.1647 10.8150 10.8150 11.1075 11.1075 11.2976 11.2976 12.4869 12.4869 12.5668 12.5668 k = 0.5000 0.2886 0.3519 ( 2766 PWs) bands (ev): -25.0341 -25.0341 -7.9283 -7.9283 -6.8173 -6.8173 -6.8048 -6.8048 0.3222 0.3222 0.6603 0.6603 5.8046 5.8046 6.3803 6.3803 6.5529 6.5529 6.9663 6.9663 7.0757 7.0757 7.2824 7.2824 7.5055 7.5055 7.9549 7.9549 8.2011 8.2011 8.2855 8.2855 8.3565 8.3565 9.1640 9.1640 10.8915 10.8915 11.1781 11.1781 11.3994 11.3994 12.4348 12.4348 12.5940 12.5940 k = 0.5000 0.2886 0.3334 ( 2766 PWs) bands (ev): -25.0345 -25.0345 -7.9264 -7.9264 -6.8148 -6.8148 -6.8029 -6.8029 0.2862 0.2862 0.6458 0.6458 5.7902 5.7902 6.4516 6.4516 6.5772 6.5772 6.9516 6.9516 7.0939 7.0939 7.2721 7.2721 7.4931 7.4931 7.9581 7.9581 8.2165 8.2165 8.3089 8.3089 8.3843 8.3843 9.1628 9.1628 10.9606 10.9606 11.2435 11.2435 11.5020 11.5020 12.3107 12.3107 12.6967 12.6967 k = 0.5000 0.2886 0.3149 ( 2762 PWs) bands (ev): -25.0349 -25.0349 -7.9245 -7.9245 -6.8133 -6.8133 -6.7999 -6.7999 0.2522 0.2522 0.6307 0.6307 5.7774 5.7774 6.5226 6.5226 6.6004 6.6004 6.9375 6.9375 7.1130 7.1130 7.2626 7.2626 7.4805 7.4805 7.9596 7.9596 8.2322 8.2322 8.3306 8.3306 8.4169 8.4169 9.1611 9.1611 11.0211 11.0211 11.3041 11.3041 11.6053 11.6053 12.1860 12.1860 12.7888 12.7888 k = 0.5000 0.2886 0.2964 ( 2758 PWs) bands (ev): -25.0353 -25.0353 -7.9227 -7.9227 -6.8125 -6.8125 -6.7963 -6.7963 0.2200 0.2200 0.6152 0.6152 5.7660 5.7660 6.5918 6.5918 6.6240 6.6240 6.9238 6.9238 7.1323 7.1323 7.2541 7.2541 7.4681 7.4681 7.9593 7.9593 8.2480 8.2480 8.3518 8.3518 8.4530 8.4530 9.1587 9.1587 11.0720 11.0720 11.3604 11.3604 11.7090 11.7090 12.0621 12.0621 12.8034 12.8034 k = 0.5000 0.2886 0.2778 ( 2756 PWs) bands (ev): -25.0356 -25.0356 -7.9210 -7.9210 -6.8122 -6.8122 -6.7924 -6.7924 0.1898 0.1898 0.5996 0.5996 5.7559 5.7559 6.6379 6.6379 6.6690 6.6690 6.9110 6.9110 7.1509 7.1509 7.2472 7.2472 7.4555 7.4555 7.9572 7.9572 8.2637 8.2637 8.3736 8.3736 8.4911 8.4911 9.1556 9.1556 11.1128 11.1128 11.4129 11.4129 11.8126 11.8126 11.9404 11.9404 12.8156 12.8156 k = 0.5000 0.2886 0.2593 ( 2756 PWs) bands (ev): -25.0360 -25.0360 -7.9194 -7.9194 -6.8120 -6.8120 -6.7884 -6.7884 0.1615 0.1615 0.5839 0.5839 5.7470 5.7470 6.6595 6.6595 6.7366 6.7366 6.8989 6.8989 7.1677 7.1677 7.2432 7.2432 7.4430 7.4430 7.9534 7.9534 8.2792 8.2792 8.3966 8.3966 8.5307 8.5307 9.1516 9.1516 11.1435 11.1435 11.4620 11.4620 11.8184 11.8184 11.9186 11.9186 12.8296 12.8296 k = 0.5000 0.2886 0.2408 ( 2760 PWs) bands (ev): -25.0363 -25.0363 -7.9178 -7.9178 -6.8120 -6.8120 -6.7844 -6.7844 0.1351 0.1351 0.5684 0.5684 5.7391 5.7391 6.6784 6.6784 6.8044 6.8044 6.8876 6.8876 7.1799 7.1799 7.2442 7.2442 7.4307 7.4307 7.9478 7.9478 8.2944 8.2944 8.4212 8.4212 8.5710 8.5710 9.1467 9.1467 11.1649 11.1649 11.5083 11.5083 11.7021 11.7021 12.0215 12.0215 12.8396 12.8396 k = 0.5000 0.2886 0.2223 ( 2756 PWs) bands (ev): -25.0366 -25.0366 -7.9163 -7.9163 -6.8120 -6.8120 -6.7806 -6.7806 0.1107 0.1107 0.5532 0.5532 5.7322 5.7322 6.6961 6.6961 6.8682 6.8682 6.8796 6.8796 7.1854 7.1854 7.2523 7.2523 7.4187 7.4187 7.9408 7.9408 8.3092 8.3092 8.4480 8.4480 8.6117 8.6117 9.1406 9.1406 11.1781 11.1781 11.5520 11.5520 11.5890 11.5890 12.1242 12.1242 12.8388 12.8388 k = 0.5000 0.2886 0.2037 ( 2756 PWs) bands (ev): -25.0369 -25.0369 -7.9149 -7.9149 -6.8120 -6.8120 -6.7770 -6.7770 0.0882 0.0882 0.5386 0.5386 5.7262 5.7262 6.7128 6.7128 6.8665 6.8665 6.9359 6.9359 7.1852 7.1852 7.2663 7.2663 7.4071 7.4071 7.9323 7.9323 8.3230 8.3230 8.4769 8.4769 8.6522 8.6522 9.1333 9.1333 11.1842 11.1842 11.4798 11.4798 11.5940 11.5940 12.2256 12.2256 12.8225 12.8225 k = 0.5000 0.2886 0.1852 ( 2754 PWs) bands (ev): -25.0372 -25.0372 -7.9136 -7.9136 -6.8120 -6.8120 -6.7735 -6.7735 0.0677 0.0677 0.5246 0.5246 5.7210 5.7210 6.7285 6.7285 6.8577 6.8577 6.9974 6.9974 7.1820 7.1820 7.2831 7.2831 7.3961 7.3961 7.9226 7.9226 8.3359 8.3359 8.5080 8.5080 8.6920 8.6920 9.1246 9.1246 11.1849 11.1849 11.3759 11.3759 11.6337 11.6337 12.3250 12.3250 12.7899 12.7899 k = 0.5000 0.2886 0.1667 ( 2746 PWs) bands (ev): -25.0374 -25.0374 -7.9125 -7.9125 -6.8121 -6.8121 -6.7703 -6.7703 0.0492 0.0492 0.5115 0.5115 5.7164 5.7164 6.7431 6.7431 6.8499 6.8499 7.0554 7.0554 7.1780 7.1780 7.3009 7.3009 7.3860 7.3860 7.9117 7.9117 8.3478 8.3478 8.5412 8.5412 8.7306 8.7306 9.1142 9.1142 11.1815 11.1815 11.2779 11.2779 11.6713 11.6713 12.4216 12.4216 12.7445 12.7445 k = 0.5000 0.2886 0.1482 ( 2752 PWs) bands (ev): -25.0376 -25.0376 -7.9114 -7.9114 -6.8121 -6.8121 -6.7674 -6.7674 0.0326 0.0326 0.4993 0.4993 5.7125 5.7125 6.7565 6.7565 6.8428 6.8428 7.1083 7.1083 7.1746 7.1746 7.3183 7.3183 7.3772 7.3772 7.8997 7.8997 8.3585 8.3585 8.5764 8.5764 8.7674 8.7674 9.1020 9.1020 11.1752 11.1752 11.1867 11.1867 11.7069 11.7069 12.5142 12.5142 12.6914 12.6914 k = 0.5000 0.2886 0.1297 ( 2748 PWs) bands (ev): -25.0378 -25.0378 -7.9105 -7.9105 -6.8121 -6.8121 -6.7648 -6.7648 0.0179 0.0179 0.4883 0.4883 5.7093 5.7093 6.7686 6.7686 6.8369 6.8369 7.1490 7.1490 7.1786 7.1786 7.3344 7.3344 7.3707 7.3707 7.8871 7.8871 8.3680 8.3680 8.6132 8.6132 8.8018 8.8018 9.0879 9.0879 11.1030 11.1030 11.1672 11.1672 11.7402 11.7402 12.6012 12.6012 12.6362 12.6362 k = 0.5000 0.2886 0.1111 ( 2742 PWs) bands (ev): -25.0380 -25.0380 -7.9096 -7.9096 -6.8121 -6.8121 -6.7625 -6.7625 0.0052 0.0052 0.4785 0.4785 5.7065 5.7065 6.7791 6.7791 6.8322 6.8322 7.1572 7.1572 7.2091 7.2091 7.3462 7.3462 7.3699 7.3699 7.8740 7.8740 8.3762 8.3762 8.6513 8.6513 8.8332 8.8332 9.0716 9.0716 11.0280 11.0280 11.1585 11.1585 11.7709 11.7709 12.5805 12.5805 12.6834 12.6834 k = 0.5000 0.2886 0.0926 ( 2754 PWs) bands (ev): -25.0381 -25.0381 -7.9089 -7.9089 -6.8122 -6.8122 -6.7605 -6.7605 -0.0055 -0.0055 0.4700 0.4700 5.7041 5.7041 6.7876 6.7876 6.8289 6.8289 7.1550 7.1550 7.2425 7.2425 7.3500 7.3500 7.3793 7.3793 7.8608 7.8608 8.3831 8.3831 8.6902 8.6902 8.8605 8.8605 9.0533 9.0533 10.9624 10.9624 11.1498 11.1498 11.7985 11.7985 12.5304 12.5304 12.7559 12.7559 k = 0.5000 0.2886 0.0741 ( 2762 PWs) bands (ev): -25.0383 -25.0383 -7.9083 -7.9083 -6.8122 -6.8122 -6.7589 -6.7589 -0.0143 -0.0143 0.4629 0.4629 5.7021 5.7021 6.7938 6.7938 6.8272 6.8272 7.1520 7.1520 7.2676 7.2676 7.3514 7.3514 7.3940 7.3940 7.8482 7.8482 8.3889 8.3889 8.7292 8.7292 8.8830 8.8830 9.0333 9.0333 10.9071 10.9071 11.1418 11.1418 11.8223 11.8223 12.4867 12.4867 12.8178 12.8178 k = 0.5000 0.2886 0.0556 ( 2762 PWs) bands (ev): -25.0384 -25.0384 -7.9079 -7.9079 -6.8122 -6.8122 -6.7576 -6.7576 -0.0212 -0.0212 0.4573 0.4573 5.7007 5.7007 6.7976 6.7976 6.8272 6.8272 7.1494 7.1494 7.2830 7.2830 7.3547 7.3547 7.4094 7.4094 7.8368 7.8368 8.3934 8.3934 8.7675 8.7675 8.8991 8.8991 9.0127 9.0127 10.8631 10.8631 11.1351 11.1351 11.8419 11.8419 12.4512 12.4512 12.8659 12.8659 k = 0.5000 0.2886 0.0370 ( 2768 PWs) bands (ev): -25.0384 -25.0384 -7.9076 -7.9076 -6.8122 -6.8122 -6.7566 -6.7566 -0.0261 -0.0261 0.4533 0.4533 5.6997 5.6997 6.7995 6.7995 6.8282 6.8282 7.1473 7.1473 7.2906 7.2906 7.3590 7.3590 7.4230 7.4230 7.8277 7.8277 8.3965 8.3965 8.8037 8.8037 8.9065 8.9065 8.9941 8.9941 10.8311 10.8311 11.1300 11.1300 11.8565 11.8565 12.4250 12.4250 12.8965 12.8965 k = 0.5000 0.2886 0.0185 ( 2772 PWs) bands (ev): -25.0385 -25.0385 -7.9074 -7.9074 -6.8122 -6.8122 -6.7561 -6.7561 -0.0290 -0.0290 0.4508 0.4508 5.6991 5.6991 6.8001 6.8001 6.8292 6.8292 7.1460 7.1460 7.2937 7.2937 7.3625 7.3625 7.4323 7.4323 7.8217 7.8217 8.3984 8.3984 8.8349 8.8349 8.9028 8.9028 8.9818 8.9818 10.8117 10.8117 11.1268 11.1268 11.8655 11.8655 12.4090 12.4090 12.9093 12.9093 k = 0.5000 0.2886-0.0000 ( 2772 PWs) bands (ev): -25.0385 -25.0385 -7.9073 -7.9073 -6.8122 -6.8122 -6.7559 -6.7559 -0.0300 -0.0300 0.4500 0.4500 5.6989 5.6989 6.8003 6.8003 6.8297 6.8297 7.1456 7.1456 7.2945 7.2945 7.3638 7.3638 7.4356 7.4356 7.8196 7.8196 8.3990 8.3990 8.8506 8.8506 8.8961 8.8961 8.9780 8.9780 10.8051 10.8051 11.1257 11.1257 11.8685 11.8685 12.4036 12.4036 12.9118 12.9118 k = 0.0000 0.0000 1.0001 ( 2756 PWs) bands (ev): -25.0228 -25.0228 -7.9766 -7.9766 -6.9223 -6.9223 -6.7903 -6.7903 0.6133 0.6133 1.9968 1.9968 4.8490 4.8490 4.9219 4.9219 6.8236 6.8236 7.1716 7.1716 7.3812 7.3812 7.6322 7.6322 7.6642 7.6642 7.7402 7.7402 7.7915 7.7915 8.2953 8.2953 8.3102 8.3102 8.8030 8.8030 8.9612 8.9612 9.1300 9.1300 9.1787 9.1787 11.6809 11.6809 14.3723 14.3723 k = 0.0156 0.0090 1.0001 ( 2770 PWs) bands (ev): -25.0228 -25.0228 -7.9766 -7.9766 -6.9223 -6.9223 -6.7903 -6.7903 0.6134 0.6134 1.9965 1.9965 4.8492 4.8492 4.9217 4.9217 6.8255 6.8255 7.1721 7.1721 7.3806 7.3806 7.6275 7.6275 7.6669 7.6669 7.7407 7.7407 7.7915 7.7915 8.2953 8.2953 8.3101 8.3101 8.8031 8.8031 8.9605 8.9605 9.1301 9.1301 9.1787 9.1787 11.6762 11.6762 14.3822 14.3822 k = 0.0312 0.0180 1.0001 ( 2780 PWs) bands (ev): -25.0228 -25.0228 -7.9766 -7.9766 -6.9223 -6.9223 -6.7903 -6.7903 0.6137 0.6137 1.9957 1.9957 4.8496 4.8496 4.9212 4.9212 6.8311 6.8311 7.1736 7.1736 7.3789 7.3789 7.6161 7.6161 7.6727 7.6727 7.7424 7.7424 7.7915 7.7915 8.2952 8.2952 8.3100 8.3100 8.8036 8.8036 8.9586 8.9586 9.1307 9.1307 9.1785 9.1785 11.6624 11.6624 14.4114 14.4114 k = 0.0469 0.0271 1.0001 ( 2780 PWs) bands (ev): -25.0228 -25.0228 -7.9766 -7.9766 -6.9223 -6.9223 -6.7903 -6.7903 0.6142 0.6142 1.9944 1.9944 4.8504 4.8504 4.9205 4.9205 6.8405 6.8405 7.1760 7.1760 7.3760 7.3760 7.6012 7.6012 7.6786 7.6786 7.7451 7.7451 7.7918 7.7918 8.2953 8.2953 8.3099 8.3099 8.8045 8.8045 8.9554 8.9554 9.1318 9.1318 9.1784 9.1784 11.6405 11.6405 14.4591 14.4591 k = 0.0625 0.0361 1.0001 ( 2786 PWs) bands (ev): -25.0228 -25.0228 -7.9766 -7.9766 -6.9223 -6.9223 -6.7903 -6.7903 0.6149 0.6149 1.9926 1.9926 4.8515 4.8515 4.9193 4.9193 6.8533 6.8533 7.1795 7.1795 7.3719 7.3719 7.5838 7.5838 7.6839 7.6839 7.7483 7.7483 7.7922 7.7922 8.2954 8.2954 8.3098 8.3098 8.8058 8.8058 8.9512 8.9512 9.1332 9.1332 9.1781 9.1781 11.6117 11.6117 14.5236 14.5236 k = 0.0781 0.0451 1.0001 ( 2788 PWs) bands (ev): -25.0228 -25.0228 -7.9766 -7.9766 -6.9223 -6.9223 -6.7903 -6.7903 0.6158 0.6158 1.9904 1.9904 4.8529 4.8529 4.9180 4.9180 6.8696 6.8696 7.1838 7.1838 7.3668 7.3668 7.5643 7.5643 7.6886 7.6886 7.7517 7.7517 7.7929 7.7929 8.2955 8.2955 8.3096 8.3096 8.8074 8.8074 8.9460 8.9460 9.1349 9.1349 9.1779 9.1779 11.5778 11.5778 14.6031 14.6031 k = 0.0938 0.0541 1.0001 ( 2796 PWs) bands (ev): -25.0228 -25.0228 -7.9766 -7.9766 -6.9223 -6.9223 -6.7903 -6.7903 0.6168 0.6168 1.9880 1.9880 4.8546 4.8546 4.9163 4.9163 6.8889 6.8889 7.1891 7.1891 7.3607 7.3607 7.5429 7.5429 7.6927 7.6927 7.7550 7.7550 7.7937 7.7937 8.2957 8.2957 8.3094 8.3094 8.8094 8.8094 8.9400 8.9400 9.1367 9.1367 9.1774 9.1774 11.5404 11.5404 14.6950 14.6950 k = 0.1094 0.0631 1.0001 ( 2796 PWs) bands (ev): -25.0228 -25.0228 -7.9766 -7.9766 -6.9223 -6.9223 -6.7904 -6.7904 0.6179 0.6179 1.9853 1.9853 4.8565 4.8565 4.9144 4.9144 6.9112 6.9112 7.1952 7.1952 7.3537 7.3537 7.5197 7.5197 7.6964 7.6964 7.7579 7.7579 7.7948 7.7948 8.2959 8.2959 8.3092 8.3092 8.8117 8.8117 8.9334 8.9334 9.1387 9.1387 9.1770 9.1770 11.5013 11.5013 14.7710 14.7710 k = 0.1250 0.0722 1.0001 ( 2796 PWs) bands (ev): -25.0228 -25.0228 -7.9766 -7.9766 -6.9223 -6.9223 -6.7904 -6.7904 0.6191 0.6191 1.9825 1.9825 4.8587 4.8587 4.9122 4.9122 6.9361 6.9361 7.2022 7.2022 7.3458 7.3458 7.4949 7.4949 7.6997 7.6997 7.7603 7.7603 7.7962 7.7962 8.2961 8.2961 8.3089 8.3089 8.8144 8.8144 8.9264 8.9264 9.1406 9.1406 9.1765 9.1765 11.4622 11.4622 14.8238 14.8238 k = 0.1406 0.0812 1.0001 ( 2786 PWs) bands (ev): -25.0228 -25.0228 -7.9766 -7.9766 -6.9223 -6.9223 -6.7904 -6.7904 0.6203 0.6203 1.9798 1.9798 4.8610 4.8610 4.9098 4.9098 6.9631 6.9631 7.2099 7.2099 7.3371 7.3371 7.4688 7.4688 7.7027 7.7027 7.7622 7.7622 7.7978 7.7978 8.2963 8.2963 8.3089 8.3089 8.8175 8.8175 8.9191 8.9191 9.1426 9.1426 9.1760 9.1760 11.4244 11.4244 14.8818 14.8818 k = 0.1562 0.0902 1.0001 ( 2790 PWs) bands (ev): -25.0228 -25.0228 -7.9766 -7.9766 -6.9223 -6.9223 -6.7904 -6.7904 0.6214 0.6214 1.9771 1.9771 4.8636 4.8636 4.9073 4.9073 6.9918 6.9918 7.2183 7.2183 7.3277 7.3277 7.4415 7.4415 7.7053 7.7053 7.7635 7.7635 7.7994 7.7994 8.2966 8.2966 8.3085 8.3085 8.8208 8.8208 8.9117 8.9117 9.1445 9.1445 9.1755 9.1755 11.3892 11.3892 14.9452 14.9452 k = 0.1719 0.0992 1.0001 ( 2794 PWs) bands (ev): -25.0228 -25.0228 -7.9766 -7.9766 -6.9223 -6.9223 -6.7904 -6.7904 0.6224 0.6224 1.9746 1.9746 4.8662 4.8662 4.9047 4.9047 7.0216 7.0216 7.2274 7.2274 7.3175 7.3175 7.4134 7.4134 7.7076 7.7076 7.7644 7.7644 7.8010 7.8010 8.2968 8.2968 8.3082 8.3082 8.8244 8.8244 8.9045 8.9045 9.1463 9.1463 9.1748 9.1748 11.3576 11.3576 15.0135 15.0135 k = 0.1875 0.1082 1.0001 ( 2798 PWs) bands (ev): -25.0228 -25.0228 -7.9766 -7.9766 -6.9223 -6.9223 -6.7904 -6.7904 0.6233 0.6233 1.9724 1.9724 4.8689 4.8689 4.9020 4.9020 7.0519 7.0519 7.2371 7.2371 7.3067 7.3067 7.3852 7.3852 7.7094 7.7094 7.7649 7.7649 7.8024 7.8024 8.2970 8.2970 8.3079 8.3079 8.8281 8.8281 8.8976 8.8976 9.1480 9.1480 9.1741 9.1741 11.3307 11.3307 15.0863 15.0863 k = 0.2031 0.1173 1.0001 ( 2798 PWs) bands (ev): -25.0228 -25.0228 -7.9766 -7.9766 -6.9223 -6.9223 -6.7904 -6.7904 0.6240 0.6240 1.9707 1.9707 4.8716 4.8716 4.8993 4.8993 7.0814 7.0814 7.2470 7.2470 7.2954 7.2954 7.3579 7.3579 7.7108 7.7108 7.7652 7.7652 7.8036 7.8036 8.2974 8.2974 8.3075 8.3075 8.8318 8.8318 8.8914 8.8914 9.1495 9.1495 9.1734 9.1734 11.3090 11.3090 15.1629 15.1629 k = 0.2188 0.1263 1.0001 ( 2802 PWs) bands (ev): -25.0228 -25.0228 -7.9766 -7.9766 -6.9223 -6.9223 -6.7904 -6.7904 0.6246 0.6246 1.9693 1.9693 4.8740 4.8740 4.8969 4.8969 7.1082 7.1082 7.2563 7.2563 7.2852 7.2852 7.3327 7.3327 7.7117 7.7117 7.7654 7.7654 7.8046 7.8046 8.2978 8.2978 8.3072 8.3072 8.8351 8.8351 8.8863 8.8863 9.1507 9.1507 9.1727 9.1727 11.2931 11.2931 15.2429 15.2429 k = 0.2344 0.1353 1.0001 ( 2792 PWs) bands (ev): -25.0228 -25.0228 -7.9766 -7.9766 -6.9223 -6.9223 -6.7904 -6.7904 0.6250 0.6250 1.9685 1.9685 4.8760 4.8760 4.8950 4.8950 7.1288 7.1288 7.2600 7.2600 7.2827 7.2827 7.3114 7.3114 7.7122 7.7122 7.7657 7.7657 7.8053 7.8053 8.2982 8.2982 8.3069 8.3069 8.8375 8.8375 8.8828 8.8828 9.1519 9.1519 9.1719 9.1719 11.2835 11.2835 15.3251 15.3251 k = 0.2500 0.1443 1.0001 ( 2788 PWs) bands (ev): -25.0228 -25.0228 -7.9766 -7.9766 -6.9223 -6.9223 -6.7904 -6.7904 0.6251 0.6251 1.9682 1.9682 4.8771 4.8771 4.8939 4.8939 7.1371 7.1371 7.2584 7.2584 7.2896 7.2896 7.2981 7.2981 7.7122 7.7122 7.7659 7.7659 7.8057 7.8057 8.2986 8.2986 8.3066 8.3066 8.8383 8.8383 8.8816 8.8816 9.1527 9.1527 9.1712 9.1712 11.2802 11.2802 15.3961 15.3961 Writing output data file SrxNiGex2.save init_run : 0.30s CPU 0.43s WALL ( 1 calls) electrons : 170.04s CPU 172.55s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 170.04s CPU 172.55s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.06s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.04s WALL ( 347 calls) cegterg : 155.04s CPU 157.02s WALL ( 535 calls) Called by sum_band: Called by *egterg: h_psi : 100.52s CPU 101.73s WALL ( 8712 calls) s_psi : 4.38s CPU 4.29s WALL ( 8712 calls) g_psi : 0.16s CPU 0.16s WALL ( 7830 calls) cdiaghg : 51.17s CPU 52.25s WALL ( 8177 calls) cegterg:over : 4.46s CPU 4.39s WALL ( 7830 calls) cegterg:upda : 3.16s CPU 3.32s WALL ( 7830 calls) cegterg:last : 1.80s CPU 1.83s WALL ( 1402 calls) cdiaghg:chol : 2.62s CPU 2.85s WALL ( 8177 calls) cdiaghg:inve : 1.92s CPU 1.87s WALL ( 8177 calls) cdiaghg:para : 3.09s CPU 3.07s WALL ( 16354 calls) Called by h_psi: h_psi:vloc : 90.96s CPU 92.03s WALL ( 8712 calls) h_psi:vnl : 9.43s CPU 9.54s WALL ( 8712 calls) add_vuspsi : 4.97s CPU 5.00s WALL ( 8712 calls) General routines calbec : 4.44s CPU 4.52s WALL ( 8712 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 84.96s CPU 86.21s WALL ( 819164 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.10s CPU 0.15s WALL ( 694 calls) Parallel routines fft_scatter : 29.63s CPU 29.84s WALL ( 819187 calls) PWSCF : 3m 3.26s CPU 3m21.40s WALL This run was terminated on: 19: 8:48 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=