Program PWSCF v.5.1.1 starts on 25Aug2015 at 20:21:39 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./ZnNi.save/ file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized file Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 20 13 4 427 219 37 Max 22 14 5 430 238 40 Sum 1003 649 199 20539 10969 1837 bravais-lattice index = 14 lattice parameter (alat) = 7.2304 a.u. unit-cell volume = 267.2816 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 22.00 number of Kohn-Sham states= 30 kinetic-energy cutoff = 45.0000 Ry charge density cutoff = 276.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.230384 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.500000 celldm(5)= 0.500000 celldm(6)= 0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.500000 0.866025 0.000000 ) a(3) = ( 0.500000 0.288675 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.577350 -0.408248 ) b(2) = ( 0.000000 1.154701 -0.408248 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 for Ni read from file: /home/autes/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. # 2 for Zn read from file: /home/autes/Pseudo/Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 8d14e5a70806ad8c3d477ea097862760 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1201 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 Ni 10.00 58.69340 Ni( 1.00) Zn 12.00 65.40900 Zn( 1.00) 6 Sym. Ops. (no 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 = 2 120 deg rotation - cryst. axis [0,0,1] cryst. s( 2) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 2) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 3) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 3) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 5) = ( 0.5000000 0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s( 6) = ( 0.5000000 -0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_3v (3m) there are 6 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3s_v -3s_v G_4 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6 1.00 -1.00 -1.00 1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3s_v -3s_v G_4 0.00 0.00 0.00 0.00 0.00 0.00 G_5 0.00 0.00 0.00 0.00 1.00 -1.00 G_6 0.00 0.00 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 2C3 2 3 3s_v 4 5 -6 3s_v 6 -4 -5 -E -1 -2C3 -2 -3 Cartesian axes number of k points= 389 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025707 k( 2) = ( 0.0084746 -0.0048928 0.0069195), wk = 0.0025707 k( 3) = ( 0.0169491 -0.0097856 0.0138389), wk = 0.0025707 k( 4) = ( 0.0254237 -0.0146784 0.0207584), wk = 0.0025707 k( 5) = ( 0.0338983 -0.0195712 0.0276779), wk = 0.0025707 k( 6) = ( 0.0423729 -0.0244640 0.0345973), wk = 0.0025707 k( 7) = ( 0.0508475 -0.0293568 0.0415168), wk = 0.0025707 k( 8) = ( 0.0593220 -0.0342496 0.0484362), wk = 0.0025707 k( 9) = ( 0.0677966 -0.0391424 0.0553557), wk = 0.0025707 k( 10) = ( 0.0762712 -0.0440352 0.0622752), wk = 0.0025707 k( 11) = ( 0.0847458 -0.0489280 0.0691946), wk = 0.0025707 k( 12) = ( 0.0932203 -0.0538208 0.0761141), wk = 0.0025707 k( 13) = ( 0.1016949 -0.0587136 0.0830336), wk = 0.0025707 k( 14) = ( 0.1101695 -0.0636064 0.0899530), wk = 0.0025707 k( 15) = ( 0.1186441 -0.0684992 0.0968725), wk = 0.0025707 k( 16) = ( 0.1271186 -0.0733920 0.1037919), wk = 0.0025707 k( 17) = ( 0.1355932 -0.0782848 0.1107114), wk = 0.0025707 k( 18) = ( 0.1440678 -0.0831776 0.1176309), wk = 0.0025707 k( 19) = ( 0.1525424 -0.0880704 0.1245503), wk = 0.0025707 k( 20) = ( 0.1610169 -0.0929632 0.1314698), wk = 0.0025707 k( 21) = ( 0.1694915 -0.0978560 0.1383893), wk = 0.0025707 k( 22) = ( 0.1779661 -0.1027488 0.1453087), wk = 0.0025707 k( 23) = ( 0.1864407 -0.1076416 0.1522282), wk = 0.0025707 k( 24) = ( 0.1949153 -0.1125344 0.1591476), wk = 0.0025707 k( 25) = ( 0.2033898 -0.1174272 0.1660671), wk = 0.0025707 k( 26) = ( 0.2118644 -0.1223200 0.1729866), wk = 0.0025707 k( 27) = ( 0.2203390 -0.1272128 0.1799060), wk = 0.0025707 k( 28) = ( 0.2288136 -0.1321056 0.1868255), wk = 0.0025707 k( 29) = ( 0.2372881 -0.1369984 0.1937450), wk = 0.0025707 k( 30) = ( 0.2457627 -0.1418912 0.2006644), wk = 0.0025707 k( 31) = ( 0.2542373 -0.1467840 0.2075839), wk = 0.0025707 k( 32) = ( 0.2627119 -0.1516768 0.2145033), wk = 0.0025707 k( 33) = ( 0.2711864 -0.1565696 0.2214228), wk = 0.0025707 k( 34) = ( 0.2796610 -0.1614624 0.2283423), wk = 0.0025707 k( 35) = ( 0.2881356 -0.1663552 0.2352617), wk = 0.0025707 k( 36) = ( 0.2966102 -0.1712480 0.2421812), wk = 0.0025707 k( 37) = ( 0.3050848 -0.1761408 0.2491007), wk = 0.0025707 k( 38) = ( 0.3135593 -0.1810336 0.2560201), wk = 0.0025707 k( 39) = ( 0.3220339 -0.1859264 0.2629396), wk = 0.0025707 k( 40) = ( 0.3305085 -0.1908192 0.2698590), wk = 0.0025707 k( 41) = ( 0.3389831 -0.1957120 0.2767785), wk = 0.0025707 k( 42) = ( 0.3474576 -0.2006048 0.2836980), wk = 0.0025707 k( 43) = ( 0.3559322 -0.2054976 0.2906174), wk = 0.0025707 k( 44) = ( 0.3644068 -0.2103904 0.2975369), wk = 0.0025707 k( 45) = ( 0.3728814 -0.2152832 0.3044564), wk = 0.0025707 k( 46) = ( 0.3813559 -0.2201759 0.3113758), wk = 0.0025707 k( 47) = ( 0.3898305 -0.2250687 0.3182953), wk = 0.0025707 k( 48) = ( 0.3983051 -0.2299615 0.3252147), wk = 0.0025707 k( 49) = ( 0.4067797 -0.2348543 0.3321342), wk = 0.0025707 k( 50) = ( 0.4152542 -0.2397471 0.3390537), wk = 0.0025707 k( 51) = ( 0.4237288 -0.2446399 0.3459731), wk = 0.0025707 k( 52) = ( 0.4322034 -0.2495327 0.3528926), wk = 0.0025707 k( 53) = ( 0.4406780 -0.2544255 0.3598121), wk = 0.0025707 k( 54) = ( 0.4491525 -0.2593183 0.3667315), wk = 0.0025707 k( 55) = ( 0.4576271 -0.2642111 0.3736510), wk = 0.0025707 k( 56) = ( 0.4661017 -0.2691039 0.3805704), wk = 0.0025707 k( 57) = ( 0.4745763 -0.2739967 0.3874899), wk = 0.0025707 k( 58) = ( 0.4830508 -0.2788895 0.3944094), wk = 0.0025707 k( 59) = ( 0.4915254 -0.2837823 0.4013288), wk = 0.0025707 k( 60) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0025707 k( 61) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0025707 k( 62) = ( 0.5000000 -0.2790526 0.4150524), wk = 0.0025707 k( 63) = ( 0.5000000 -0.2694301 0.4218566), wk = 0.0025707 k( 64) = ( 0.5000000 -0.2598076 0.4286607), wk = 0.0025707 k( 65) = ( 0.5000000 -0.2501851 0.4354648), wk = 0.0025707 k( 66) = ( 0.5000000 -0.2405626 0.4422690), wk = 0.0025707 k( 67) = ( 0.5000000 -0.2309401 0.4490731), wk = 0.0025707 k( 68) = ( 0.5000000 -0.2213176 0.4558773), wk = 0.0025707 k( 69) = ( 0.5000000 -0.2116951 0.4626814), wk = 0.0025707 k( 70) = ( 0.5000000 -0.2020726 0.4694855), wk = 0.0025707 k( 71) = ( 0.5000000 -0.1924501 0.4762897), wk = 0.0025707 k( 72) = ( 0.5000000 -0.1828276 0.4830938), wk = 0.0025707 k( 73) = ( 0.5000000 -0.1732051 0.4898979), wk = 0.0025707 k( 74) = ( 0.5000000 -0.1635826 0.4967021), wk = 0.0025707 k( 75) = ( 0.5000000 -0.1539601 0.5035062), wk = 0.0025707 k( 76) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0025707 k( 77) = ( 0.5000000 -0.1347151 0.5171145), wk = 0.0025707 k( 78) = ( 0.5000000 -0.1250926 0.5239186), wk = 0.0025707 k( 79) = ( 0.5000000 -0.1154701 0.5307228), wk = 0.0025707 k( 80) = ( 0.5000000 -0.1058476 0.5375269), wk = 0.0025707 k( 81) = ( 0.5000000 -0.0962250 0.5443311), wk = 0.0025707 k( 82) = ( 0.5000000 -0.0866025 0.5511352), wk = 0.0025707 k( 83) = ( 0.5000000 -0.0769800 0.5579393), wk = 0.0025707 k( 84) = ( 0.5000000 -0.0673575 0.5647435), wk = 0.0025707 k( 85) = ( 0.5000000 -0.0577350 0.5715476), wk = 0.0025707 k( 86) = ( 0.5000000 -0.0481125 0.5783517), wk = 0.0025707 k( 87) = ( 0.5000000 -0.0384900 0.5851559), wk = 0.0025707 k( 88) = ( 0.5000000 -0.0288675 0.5919600), wk = 0.0025707 k( 89) = ( 0.5000000 -0.0192450 0.5987642), wk = 0.0025707 k( 90) = ( 0.5000000 -0.0096225 0.6055683), wk = 0.0025707 k( 91) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0025707 k( 92) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0025707 k( 93) = ( 0.4940476 0.0103098 0.6123724), wk = 0.0025707 k( 94) = ( 0.4880952 0.0206196 0.6123724), wk = 0.0025707 k( 95) = ( 0.4821429 0.0309295 0.6123724), wk = 0.0025707 k( 96) = ( 0.4761905 0.0412393 0.6123724), wk = 0.0025707 k( 97) = ( 0.4702381 0.0515491 0.6123724), wk = 0.0025707 k( 98) = ( 0.4642857 0.0618590 0.6123724), wk = 0.0025707 k( 99) = ( 0.4583333 0.0721688 0.6123724), wk = 0.0025707 k( 100) = ( 0.4523810 0.0824786 0.6123724), wk = 0.0025707 k( 101) = ( 0.4464286 0.0927884 0.6123724), wk = 0.0025707 k( 102) = ( 0.4404762 0.1030983 0.6123724), wk = 0.0025707 k( 103) = ( 0.4345238 0.1134081 0.6123724), wk = 0.0025707 k( 104) = ( 0.4285714 0.1237179 0.6123724), wk = 0.0025707 k( 105) = ( 0.4226190 0.1340277 0.6123724), wk = 0.0025707 k( 106) = ( 0.4166667 0.1443376 0.6123724), wk = 0.0025707 k( 107) = ( 0.4107143 0.1546474 0.6123724), wk = 0.0025707 k( 108) = ( 0.4047619 0.1649572 0.6123724), wk = 0.0025707 k( 109) = ( 0.3988095 0.1752671 0.6123724), wk = 0.0025707 k( 110) = ( 0.3928571 0.1855769 0.6123724), wk = 0.0025707 k( 111) = ( 0.3869048 0.1958867 0.6123724), wk = 0.0025707 k( 112) = ( 0.3809524 0.2061965 0.6123724), wk = 0.0025707 k( 113) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0025707 k( 114) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0025707 k( 115) = ( 0.3689516 0.2130143 0.6024955), wk = 0.0025707 k( 116) = ( 0.3629032 0.2095223 0.5926185), wk = 0.0025707 k( 117) = ( 0.3568548 0.2060302 0.5827415), wk = 0.0025707 k( 118) = ( 0.3508064 0.2025382 0.5728645), wk = 0.0025707 k( 119) = ( 0.3447581 0.1990462 0.5629876), wk = 0.0025707 k( 120) = ( 0.3387097 0.1955541 0.5531106), wk = 0.0025707 k( 121) = ( 0.3326613 0.1920621 0.5432336), wk = 0.0025707 k( 122) = ( 0.3266129 0.1885700 0.5333566), wk = 0.0025707 k( 123) = ( 0.3205645 0.1850780 0.5234797), wk = 0.0025707 k( 124) = ( 0.3145161 0.1815860 0.5136027), wk = 0.0025707 k( 125) = ( 0.3084677 0.1780939 0.5037257), wk = 0.0025707 k( 126) = ( 0.3024193 0.1746019 0.4938487), wk = 0.0025707 k( 127) = ( 0.2963710 0.1711099 0.4839718), wk = 0.0025707 k( 128) = ( 0.2903226 0.1676178 0.4740948), wk = 0.0025707 k( 129) = ( 0.2842742 0.1641258 0.4642178), wk = 0.0025707 k( 130) = ( 0.2782258 0.1606337 0.4543408), wk = 0.0025707 k( 131) = ( 0.2721774 0.1571417 0.4444639), wk = 0.0025707 k( 132) = ( 0.2661290 0.1536497 0.4345869), wk = 0.0025707 k( 133) = ( 0.2600807 0.1501576 0.4247099), wk = 0.0025707 k( 134) = ( 0.2540323 0.1466656 0.4148329), wk = 0.0025707 k( 135) = ( 0.2479839 0.1431736 0.4049560), wk = 0.0025707 k( 136) = ( 0.2419355 0.1396815 0.3950790), wk = 0.0025707 k( 137) = ( 0.2358871 0.1361895 0.3852020), wk = 0.0025707 k( 138) = ( 0.2298387 0.1326974 0.3753250), wk = 0.0025707 k( 139) = ( 0.2237903 0.1292054 0.3654481), wk = 0.0025707 k( 140) = ( 0.2177419 0.1257134 0.3555711), wk = 0.0025707 k( 141) = ( 0.2116936 0.1222213 0.3456941), wk = 0.0025707 k( 142) = ( 0.2056452 0.1187293 0.3358171), wk = 0.0025707 k( 143) = ( 0.1995968 0.1152372 0.3259402), wk = 0.0025707 k( 144) = ( 0.1935484 0.1117452 0.3160632), wk = 0.0025707 k( 145) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0025707 k( 146) = ( 0.1814516 0.1047611 0.2963093), wk = 0.0025707 k( 147) = ( 0.1754032 0.1012691 0.2864323), wk = 0.0025707 k( 148) = ( 0.1693548 0.0977771 0.2765553), wk = 0.0025707 k( 149) = ( 0.1633064 0.0942850 0.2666783), wk = 0.0025707 k( 150) = ( 0.1572581 0.0907930 0.2568013), wk = 0.0025707 k( 151) = ( 0.1512097 0.0873009 0.2469244), wk = 0.0025707 k( 152) = ( 0.1451613 0.0838089 0.2370474), wk = 0.0025707 k( 153) = ( 0.1391129 0.0803169 0.2271704), wk = 0.0025707 k( 154) = ( 0.1330645 0.0768248 0.2172934), wk = 0.0025707 k( 155) = ( 0.1270161 0.0733328 0.2074165), wk = 0.0025707 k( 156) = ( 0.1209677 0.0698408 0.1975395), wk = 0.0025707 k( 157) = ( 0.1149194 0.0663487 0.1876625), wk = 0.0025707 k( 158) = ( 0.1088710 0.0628567 0.1777855), wk = 0.0025707 k( 159) = ( 0.1028226 0.0593646 0.1679086), wk = 0.0025707 k( 160) = ( 0.0967742 0.0558726 0.1580316), wk = 0.0025707 k( 161) = ( 0.0907258 0.0523806 0.1481546), wk = 0.0025707 k( 162) = ( 0.0846774 0.0488885 0.1382776), wk = 0.0025707 k( 163) = ( 0.0786290 0.0453965 0.1284007), wk = 0.0025707 k( 164) = ( 0.0725806 0.0419045 0.1185237), wk = 0.0025707 k( 165) = ( 0.0665323 0.0384124 0.1086467), wk = 0.0025707 k( 166) = ( 0.0604839 0.0349204 0.0987697), wk = 0.0025707 k( 167) = ( 0.0544355 0.0314283 0.0888928), wk = 0.0025707 k( 168) = ( 0.0483871 0.0279363 0.0790158), wk = 0.0025707 k( 169) = ( 0.0423387 0.0244443 0.0691388), wk = 0.0025707 k( 170) = ( 0.0362903 0.0209522 0.0592619), wk = 0.0025707 k( 171) = ( 0.0302419 0.0174602 0.0493849), wk = 0.0025707 k( 172) = ( 0.0241936 0.0139682 0.0395079), wk = 0.0025707 k( 173) = ( 0.0181452 0.0104761 0.0296309), wk = 0.0025707 k( 174) = ( 0.0120968 0.0069841 0.0197540), wk = 0.0025707 k( 175) = ( 0.0060484 0.0034920 0.0098770), wk = 0.0025707 k( 176) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025707 k( 177) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025707 k( 178) = ( 0.0098039 0.0056603 0.0040024), wk = 0.0025707 k( 179) = ( 0.0196078 0.0113206 0.0080049), wk = 0.0025707 k( 180) = ( 0.0294118 0.0169809 0.0120073), wk = 0.0025707 k( 181) = ( 0.0392157 0.0226412 0.0160097), wk = 0.0025707 k( 182) = ( 0.0490196 0.0283015 0.0200122), wk = 0.0025707 k( 183) = ( 0.0588235 0.0339618 0.0240146), wk = 0.0025707 k( 184) = ( 0.0686275 0.0396221 0.0280170), wk = 0.0025707 k( 185) = ( 0.0784314 0.0452824 0.0320195), wk = 0.0025707 k( 186) = ( 0.0882353 0.0509427 0.0360219), wk = 0.0025707 k( 187) = ( 0.0980392 0.0566030 0.0400243), wk = 0.0025707 k( 188) = ( 0.1078431 0.0622633 0.0440268), wk = 0.0025707 k( 189) = ( 0.1176471 0.0679236 0.0480292), wk = 0.0025707 k( 190) = ( 0.1274510 0.0735839 0.0520316), wk = 0.0025707 k( 191) = ( 0.1372549 0.0792442 0.0560341), wk = 0.0025707 k( 192) = ( 0.1470588 0.0849044 0.0600365), wk = 0.0025707 k( 193) = ( 0.1568627 0.0905648 0.0640389), wk = 0.0025707 k( 194) = ( 0.1666667 0.0962250 0.0680414), wk = 0.0025707 k( 195) = ( 0.1764706 0.1018853 0.0720438), wk = 0.0025707 k( 196) = ( 0.1862745 0.1075456 0.0760463), wk = 0.0025707 k( 197) = ( 0.1960784 0.1132059 0.0800487), wk = 0.0025707 k( 198) = ( 0.2058823 0.1188662 0.0840511), wk = 0.0025707 k( 199) = ( 0.2156863 0.1245265 0.0880536), wk = 0.0025707 k( 200) = ( 0.2254902 0.1301868 0.0920560), wk = 0.0025707 k( 201) = ( 0.2352941 0.1358471 0.0960584), wk = 0.0025707 k( 202) = ( 0.2450980 0.1415074 0.1000609), wk = 0.0025707 k( 203) = ( 0.2549020 0.1471677 0.1040633), wk = 0.0025707 k( 204) = ( 0.2647059 0.1528280 0.1080657), wk = 0.0025707 k( 205) = ( 0.2745098 0.1584883 0.1120682), wk = 0.0025707 k( 206) = ( 0.2843137 0.1641486 0.1160706), wk = 0.0025707 k( 207) = ( 0.2941177 0.1698089 0.1200730), wk = 0.0025707 k( 208) = ( 0.3039216 0.1754692 0.1240755), wk = 0.0025707 k( 209) = ( 0.3137255 0.1811295 0.1280779), wk = 0.0025707 k( 210) = ( 0.3235294 0.1867898 0.1320803), wk = 0.0025707 k( 211) = ( 0.3333333 0.1924501 0.1360828), wk = 0.0025707 k( 212) = ( 0.3431373 0.1981104 0.1400852), wk = 0.0025707 k( 213) = ( 0.3529412 0.2037707 0.1440876), wk = 0.0025707 k( 214) = ( 0.3627451 0.2094310 0.1480901), wk = 0.0025707 k( 215) = ( 0.3725490 0.2150913 0.1520925), wk = 0.0025707 k( 216) = ( 0.3823529 0.2207516 0.1560949), wk = 0.0025707 k( 217) = ( 0.3921569 0.2264119 0.1600974), wk = 0.0025707 k( 218) = ( 0.4019608 0.2320722 0.1640998), wk = 0.0025707 k( 219) = ( 0.4117647 0.2377325 0.1681022), wk = 0.0025707 k( 220) = ( 0.4215686 0.2433928 0.1721047), wk = 0.0025707 k( 221) = ( 0.4313726 0.2490531 0.1761071), wk = 0.0025707 k( 222) = ( 0.4411765 0.2547134 0.1801095), wk = 0.0025707 k( 223) = ( 0.4509804 0.2603736 0.1841120), wk = 0.0025707 k( 224) = ( 0.4607843 0.2660339 0.1881144), wk = 0.0025707 k( 225) = ( 0.4705882 0.2716942 0.1921168), wk = 0.0025707 k( 226) = ( 0.4803922 0.2773545 0.1961193), wk = 0.0025707 k( 227) = ( 0.4901961 0.2830148 0.2001217), wk = 0.0025707 k( 228) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0025707 k( 229) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0025707 k( 230) = ( 0.5034722 0.2786517 0.2097943), wk = 0.0025707 k( 231) = ( 0.5069444 0.2686283 0.2154644), wk = 0.0025707 k( 232) = ( 0.5104167 0.2586048 0.2211345), wk = 0.0025707 k( 233) = ( 0.5138889 0.2485814 0.2268046), wk = 0.0025707 k( 234) = ( 0.5173611 0.2385579 0.2324747), wk = 0.0025707 k( 235) = ( 0.5208333 0.2285345 0.2381448), wk = 0.0025707 k( 236) = ( 0.5243056 0.2185110 0.2438150), wk = 0.0025707 k( 237) = ( 0.5277778 0.2084876 0.2494851), wk = 0.0025707 k( 238) = ( 0.5312500 0.1984642 0.2551552), wk = 0.0025707 k( 239) = ( 0.5347222 0.1884407 0.2608253), wk = 0.0025707 k( 240) = ( 0.5381944 0.1784173 0.2664954), wk = 0.0025707 k( 241) = ( 0.5416667 0.1683938 0.2721655), wk = 0.0025707 k( 242) = ( 0.5451389 0.1583704 0.2778356), wk = 0.0025707 k( 243) = ( 0.5486111 0.1483469 0.2835058), wk = 0.0025707 k( 244) = ( 0.5520833 0.1383235 0.2891759), wk = 0.0025707 k( 245) = ( 0.5555556 0.1283001 0.2948460), wk = 0.0025707 k( 246) = ( 0.5590278 0.1182766 0.3005161), wk = 0.0025707 k( 247) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0025707 k( 248) = ( 0.5659722 0.0982297 0.3118563), wk = 0.0025707 k( 249) = ( 0.5694444 0.0882063 0.3175264), wk = 0.0025707 k( 250) = ( 0.5729167 0.0781829 0.3231966), wk = 0.0025707 k( 251) = ( 0.5763889 0.0681594 0.3288667), wk = 0.0025707 k( 252) = ( 0.5798611 0.0581360 0.3345368), wk = 0.0025707 k( 253) = ( 0.5833333 0.0481125 0.3402069), wk = 0.0025707 k( 254) = ( 0.5868056 0.0380891 0.3458770), wk = 0.0025707 k( 255) = ( 0.5902778 0.0280656 0.3515471), wk = 0.0025707 k( 256) = ( 0.5937500 0.0180422 0.3572173), wk = 0.0025707 k( 257) = ( 0.5972222 0.0080188 0.3628874), wk = 0.0025707 k( 258) = ( 0.6006944 -0.0020047 0.3685575), wk = 0.0025707 k( 259) = ( 0.6041667 -0.0120281 0.3742276), wk = 0.0025707 k( 260) = ( 0.6076389 -0.0220516 0.3798977), wk = 0.0025707 k( 261) = ( 0.6111111 -0.0320750 0.3855678), wk = 0.0025707 k( 262) = ( 0.6145833 -0.0420985 0.3912379), wk = 0.0025707 k( 263) = ( 0.6180556 -0.0521219 0.3969081), wk = 0.0025707 k( 264) = ( 0.6215278 -0.0621453 0.4025782), wk = 0.0025707 k( 265) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0025707 k( 266) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0025707 k( 267) = ( 0.6190476 -0.0687322 0.4179685), wk = 0.0025707 k( 268) = ( 0.6130952 -0.0652956 0.4276887), wk = 0.0025707 k( 269) = ( 0.6071429 -0.0618590 0.4374089), wk = 0.0025707 k( 270) = ( 0.6011905 -0.0584224 0.4471291), wk = 0.0025707 k( 271) = ( 0.5952381 -0.0549857 0.4568493), wk = 0.0025707 k( 272) = ( 0.5892857 -0.0515491 0.4665695), wk = 0.0025707 k( 273) = ( 0.5833333 -0.0481125 0.4762897), wk = 0.0025707 k( 274) = ( 0.5773810 -0.0446759 0.4860099), wk = 0.0025707 k( 275) = ( 0.5714286 -0.0412393 0.4957301), wk = 0.0025707 k( 276) = ( 0.5654762 -0.0378027 0.5054503), wk = 0.0025707 k( 277) = ( 0.5595238 -0.0343661 0.5151705), wk = 0.0025707 k( 278) = ( 0.5535714 -0.0309295 0.5248907), wk = 0.0025707 k( 279) = ( 0.5476190 -0.0274929 0.5346109), wk = 0.0025707 k( 280) = ( 0.5416667 -0.0240563 0.5443310), wk = 0.0025707 k( 281) = ( 0.5357143 -0.0206197 0.5540512), wk = 0.0025707 k( 282) = ( 0.5297619 -0.0171830 0.5637715), wk = 0.0025707 k( 283) = ( 0.5238095 -0.0137464 0.5734917), wk = 0.0025707 k( 284) = ( 0.5178571 -0.0103098 0.5832118), wk = 0.0025707 k( 285) = ( 0.5119048 -0.0068732 0.5929320), wk = 0.0025707 k( 286) = ( 0.5059524 -0.0034366 0.6026522), wk = 0.0025707 k( 287) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0025707 k( 288) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0025707 k( 289) = ( 0.5000000 0.0068732 0.6026522), wk = 0.0025707 k( 290) = ( 0.5000000 0.0137464 0.5929320), wk = 0.0025707 k( 291) = ( 0.5000000 0.0206196 0.5832118), wk = 0.0025707 k( 292) = ( 0.5000000 0.0274929 0.5734917), wk = 0.0025707 k( 293) = ( 0.5000000 0.0343661 0.5637715), wk = 0.0025707 k( 294) = ( 0.5000000 0.0412393 0.5540512), wk = 0.0025707 k( 295) = ( 0.5000000 0.0481125 0.5443310), wk = 0.0025707 k( 296) = ( 0.5000000 0.0549857 0.5346109), wk = 0.0025707 k( 297) = ( 0.5000000 0.0618590 0.5248907), wk = 0.0025707 k( 298) = ( 0.5000000 0.0687322 0.5151705), wk = 0.0025707 k( 299) = ( 0.5000000 0.0756054 0.5054503), wk = 0.0025707 k( 300) = ( 0.5000000 0.0824786 0.4957301), wk = 0.0025707 k( 301) = ( 0.5000000 0.0893518 0.4860099), wk = 0.0025707 k( 302) = ( 0.5000000 0.0962250 0.4762897), wk = 0.0025707 k( 303) = ( 0.5000000 0.1030983 0.4665695), wk = 0.0025707 k( 304) = ( 0.5000000 0.1099715 0.4568493), wk = 0.0025707 k( 305) = ( 0.5000000 0.1168447 0.4471291), wk = 0.0025707 k( 306) = ( 0.5000000 0.1237179 0.4374089), wk = 0.0025707 k( 307) = ( 0.5000000 0.1305911 0.4276887), wk = 0.0025707 k( 308) = ( 0.5000000 0.1374644 0.4179685), wk = 0.0025707 k( 309) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0025707 k( 310) = ( 0.5000000 0.1512108 0.3985281), wk = 0.0025707 k( 311) = ( 0.5000000 0.1580840 0.3888079), wk = 0.0025707 k( 312) = ( 0.5000000 0.1649572 0.3790877), wk = 0.0025707 k( 313) = ( 0.5000000 0.1718304 0.3693675), wk = 0.0025707 k( 314) = ( 0.5000000 0.1787036 0.3596473), wk = 0.0025707 k( 315) = ( 0.5000000 0.1855769 0.3499271), wk = 0.0025707 k( 316) = ( 0.5000000 0.1924501 0.3402069), wk = 0.0025707 k( 317) = ( 0.5000000 0.1993233 0.3304867), wk = 0.0025707 k( 318) = ( 0.5000000 0.2061965 0.3207665), wk = 0.0025707 k( 319) = ( 0.5000000 0.2130697 0.3110463), wk = 0.0025707 k( 320) = ( 0.5000000 0.2199430 0.3013261), wk = 0.0025707 k( 321) = ( 0.5000000 0.2268162 0.2916059), wk = 0.0025707 k( 322) = ( 0.5000000 0.2336894 0.2818857), wk = 0.0025707 k( 323) = ( 0.5000000 0.2405626 0.2721655), wk = 0.0025707 k( 324) = ( 0.5000000 0.2474358 0.2624453), wk = 0.0025707 k( 325) = ( 0.5000000 0.2543091 0.2527251), wk = 0.0025707 k( 326) = ( 0.5000000 0.2611823 0.2430049), wk = 0.0025707 k( 327) = ( 0.5000000 0.2680555 0.2332847), wk = 0.0025707 k( 328) = ( 0.5000000 0.2749287 0.2235645), wk = 0.0025707 k( 329) = ( 0.5000000 0.2818019 0.2138443), wk = 0.0025707 k( 330) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0025707 k( 331) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0025707 k( 332) = ( 0.4965278 0.2866704 0.2154644), wk = 0.0025707 k( 333) = ( 0.4930556 0.2846658 0.2268046), wk = 0.0025707 k( 334) = ( 0.4895833 0.2826611 0.2381448), wk = 0.0025707 k( 335) = ( 0.4861111 0.2806564 0.2494851), wk = 0.0025707 k( 336) = ( 0.4826389 0.2786517 0.2608253), wk = 0.0025707 k( 337) = ( 0.4791667 0.2766470 0.2721655), wk = 0.0025707 k( 338) = ( 0.4756944 0.2746423 0.2835058), wk = 0.0025707 k( 339) = ( 0.4722222 0.2726376 0.2948460), wk = 0.0025707 k( 340) = ( 0.4687500 0.2706329 0.3061862), wk = 0.0025707 k( 341) = ( 0.4652778 0.2686283 0.3175264), wk = 0.0025707 k( 342) = ( 0.4618056 0.2666236 0.3288667), wk = 0.0025707 k( 343) = ( 0.4583333 0.2646189 0.3402069), wk = 0.0025707 k( 344) = ( 0.4548611 0.2626142 0.3515471), wk = 0.0025707 k( 345) = ( 0.4513889 0.2606095 0.3628874), wk = 0.0025707 k( 346) = ( 0.4479167 0.2586048 0.3742276), wk = 0.0025707 k( 347) = ( 0.4444444 0.2566001 0.3855678), wk = 0.0025707 k( 348) = ( 0.4409722 0.2545954 0.3969081), wk = 0.0025707 k( 349) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0025707 k( 350) = ( 0.4340278 0.2505861 0.4195885), wk = 0.0025707 k( 351) = ( 0.4305556 0.2485814 0.4309287), wk = 0.0025707 k( 352) = ( 0.4270833 0.2465767 0.4422690), wk = 0.0025707 k( 353) = ( 0.4236111 0.2445720 0.4536092), wk = 0.0025707 k( 354) = ( 0.4201389 0.2425673 0.4649494), wk = 0.0025707 k( 355) = ( 0.4166667 0.2405626 0.4762897), wk = 0.0025707 k( 356) = ( 0.4131944 0.2385579 0.4876299), wk = 0.0025707 k( 357) = ( 0.4097222 0.2365532 0.4989701), wk = 0.0025707 k( 358) = ( 0.4062500 0.2345485 0.5103104), wk = 0.0025707 k( 359) = ( 0.4027778 0.2325439 0.5216506), wk = 0.0025707 k( 360) = ( 0.3993056 0.2305392 0.5329908), wk = 0.0025707 k( 361) = ( 0.3958333 0.2285345 0.5443311), wk = 0.0025707 k( 362) = ( 0.3923611 0.2265298 0.5556713), wk = 0.0025707 k( 363) = ( 0.3888889 0.2245251 0.5670115), wk = 0.0025707 k( 364) = ( 0.3854167 0.2225204 0.5783517), wk = 0.0025707 k( 365) = ( 0.3819444 0.2205157 0.5896920), wk = 0.0025707 k( 366) = ( 0.3784722 0.2185110 0.6010322), wk = 0.0025707 k( 367) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0025707 k( 368) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0025707 k( 369) = ( 0.6190476 -0.0824786 0.4082483), wk = 0.0025707 k( 370) = ( 0.6130952 -0.0927884 0.4082483), wk = 0.0025707 k( 371) = ( 0.6071429 -0.1030983 0.4082483), wk = 0.0025707 k( 372) = ( 0.6011905 -0.1134081 0.4082483), wk = 0.0025707 k( 373) = ( 0.5952381 -0.1237179 0.4082483), wk = 0.0025707 k( 374) = ( 0.5892857 -0.1340277 0.4082483), wk = 0.0025707 k( 375) = ( 0.5833333 -0.1443376 0.4082483), wk = 0.0025707 k( 376) = ( 0.5773810 -0.1546474 0.4082483), wk = 0.0025707 k( 377) = ( 0.5714286 -0.1649572 0.4082483), wk = 0.0025707 k( 378) = ( 0.5654762 -0.1752670 0.4082483), wk = 0.0025707 k( 379) = ( 0.5595238 -0.1855769 0.4082483), wk = 0.0025707 k( 380) = ( 0.5535714 -0.1958867 0.4082483), wk = 0.0025707 k( 381) = ( 0.5476190 -0.2061965 0.4082483), wk = 0.0025707 k( 382) = ( 0.5416667 -0.2165064 0.4082483), wk = 0.0025707 k( 383) = ( 0.5357143 -0.2268162 0.4082483), wk = 0.0025707 k( 384) = ( 0.5297619 -0.2371260 0.4082483), wk = 0.0025707 k( 385) = ( 0.5238095 -0.2474358 0.4082483), wk = 0.0025707 k( 386) = ( 0.5178571 -0.2577456 0.4082483), wk = 0.0025707 k( 387) = ( 0.5119048 -0.2680555 0.4082483), wk = 0.0025707 k( 388) = ( 0.5059524 -0.2783653 0.4082483), wk = 0.0025707 k( 389) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0025707 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025707 k( 2) = ( 0.0084746 0.0000000 0.0084746), wk = 0.0025707 k( 3) = ( 0.0169491 -0.0000000 0.0169491), wk = 0.0025707 k( 4) = ( 0.0254237 0.0000000 0.0254237), wk = 0.0025707 k( 5) = ( 0.0338983 -0.0000000 0.0338983), wk = 0.0025707 k( 6) = ( 0.0423729 -0.0000000 0.0423729), wk = 0.0025707 k( 7) = ( 0.0508475 0.0000000 0.0508475), wk = 0.0025707 k( 8) = ( 0.0593220 0.0000000 0.0593220), wk = 0.0025707 k( 9) = ( 0.0677966 -0.0000000 0.0677966), wk = 0.0025707 k( 10) = ( 0.0762712 0.0000000 0.0762712), wk = 0.0025707 k( 11) = ( 0.0847458 -0.0000000 0.0847458), wk = 0.0025707 k( 12) = ( 0.0932203 -0.0000000 0.0932203), wk = 0.0025707 k( 13) = ( 0.1016949 0.0000000 0.1016949), wk = 0.0025707 k( 14) = ( 0.1101695 0.0000000 0.1101695), wk = 0.0025707 k( 15) = ( 0.1186441 -0.0000000 0.1186441), wk = 0.0025707 k( 16) = ( 0.1271186 0.0000000 0.1271186), wk = 0.0025707 k( 17) = ( 0.1355932 -0.0000000 0.1355932), wk = 0.0025707 k( 18) = ( 0.1440678 -0.0000000 0.1440678), wk = 0.0025707 k( 19) = ( 0.1525424 0.0000000 0.1525424), wk = 0.0025707 k( 20) = ( 0.1610169 0.0000000 0.1610169), wk = 0.0025707 k( 21) = ( 0.1694915 -0.0000000 0.1694915), wk = 0.0025707 k( 22) = ( 0.1779661 -0.0000000 0.1779661), wk = 0.0025707 k( 23) = ( 0.1864407 -0.0000000 0.1864407), wk = 0.0025707 k( 24) = ( 0.1949153 0.0000000 0.1949153), wk = 0.0025707 k( 25) = ( 0.2033898 0.0000000 0.2033898), wk = 0.0025707 k( 26) = ( 0.2118644 0.0000000 0.2118644), wk = 0.0025707 k( 27) = ( 0.2203390 0.0000000 0.2203390), wk = 0.0025707 k( 28) = ( 0.2288136 0.0000000 0.2288136), wk = 0.0025707 k( 29) = ( 0.2372881 -0.0000000 0.2372881), wk = 0.0025707 k( 30) = ( 0.2457627 0.0000000 0.2457627), wk = 0.0025707 k( 31) = ( 0.2542373 0.0000000 0.2542373), wk = 0.0025707 k( 32) = ( 0.2627119 0.0000000 0.2627119), wk = 0.0025707 k( 33) = ( 0.2711864 -0.0000000 0.2711864), wk = 0.0025707 k( 34) = ( 0.2796610 0.0000000 0.2796610), wk = 0.0025707 k( 35) = ( 0.2881356 0.0000000 0.2881356), wk = 0.0025707 k( 36) = ( 0.2966102 0.0000000 0.2966102), wk = 0.0025707 k( 37) = ( 0.3050848 -0.0000000 0.3050848), wk = 0.0025707 k( 38) = ( 0.3135593 -0.0000000 0.3135593), wk = 0.0025707 k( 39) = ( 0.3220339 0.0000000 0.3220339), wk = 0.0025707 k( 40) = ( 0.3305085 -0.0000000 0.3305085), wk = 0.0025707 k( 41) = ( 0.3389831 0.0000000 0.3389831), wk = 0.0025707 k( 42) = ( 0.3474576 -0.0000000 0.3474576), wk = 0.0025707 k( 43) = ( 0.3559322 -0.0000000 0.3559322), wk = 0.0025707 k( 44) = ( 0.3644068 -0.0000000 0.3644068), wk = 0.0025707 k( 45) = ( 0.3728814 -0.0000000 0.3728814), wk = 0.0025707 k( 46) = ( 0.3813559 0.0000000 0.3813559), wk = 0.0025707 k( 47) = ( 0.3898305 0.0000000 0.3898305), wk = 0.0025707 k( 48) = ( 0.3983051 0.0000000 0.3983051), wk = 0.0025707 k( 49) = ( 0.4067797 0.0000000 0.4067797), wk = 0.0025707 k( 50) = ( 0.4152542 0.0000000 0.4152542), wk = 0.0025707 k( 51) = ( 0.4237288 0.0000000 0.4237288), wk = 0.0025707 k( 52) = ( 0.4322034 0.0000000 0.4322034), wk = 0.0025707 k( 53) = ( 0.4406780 0.0000000 0.4406780), wk = 0.0025707 k( 54) = ( 0.4491525 0.0000000 0.4491525), wk = 0.0025707 k( 55) = ( 0.4576271 0.0000000 0.4576271), wk = 0.0025707 k( 56) = ( 0.4661017 0.0000000 0.4661017), wk = 0.0025707 k( 57) = ( 0.4745763 0.0000000 0.4745763), wk = 0.0025707 k( 58) = ( 0.4830508 -0.0000000 0.4830509), wk = 0.0025707 k( 59) = ( 0.4915254 0.0000000 0.4915254), wk = 0.0025707 k( 60) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025707 k( 61) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025707 k( 62) = ( 0.5000000 0.0083333 0.5083333), wk = 0.0025707 k( 63) = ( 0.5000000 0.0166667 0.5166667), wk = 0.0025707 k( 64) = ( 0.5000000 0.0250000 0.5250000), wk = 0.0025707 k( 65) = ( 0.5000000 0.0333333 0.5333333), wk = 0.0025707 k( 66) = ( 0.5000000 0.0416667 0.5416667), wk = 0.0025707 k( 67) = ( 0.5000000 0.0500000 0.5500000), wk = 0.0025707 k( 68) = ( 0.5000000 0.0583333 0.5583333), wk = 0.0025707 k( 69) = ( 0.5000000 0.0666667 0.5666667), wk = 0.0025707 k( 70) = ( 0.5000000 0.0750000 0.5750000), wk = 0.0025707 k( 71) = ( 0.5000000 0.0833333 0.5833333), wk = 0.0025707 k( 72) = ( 0.5000000 0.0916667 0.5916667), wk = 0.0025707 k( 73) = ( 0.5000000 0.1000000 0.6000000), wk = 0.0025707 k( 74) = ( 0.5000000 0.1083333 0.6083333), wk = 0.0025707 k( 75) = ( 0.5000000 0.1166667 0.6166667), wk = 0.0025707 k( 76) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0025707 k( 77) = ( 0.5000000 0.1333333 0.6333333), wk = 0.0025707 k( 78) = ( 0.5000000 0.1416667 0.6416667), wk = 0.0025707 k( 79) = ( 0.5000000 0.1500000 0.6500000), wk = 0.0025707 k( 80) = ( 0.5000000 0.1583333 0.6583333), wk = 0.0025707 k( 81) = ( 0.5000000 0.1666667 0.6666667), wk = 0.0025707 k( 82) = ( 0.5000000 0.1750000 0.6750000), wk = 0.0025707 k( 83) = ( 0.5000000 0.1833333 0.6833333), wk = 0.0025707 k( 84) = ( 0.5000000 0.1916667 0.6916667), wk = 0.0025707 k( 85) = ( 0.5000000 0.2000000 0.7000000), wk = 0.0025707 k( 86) = ( 0.5000000 0.2083333 0.7083333), wk = 0.0025707 k( 87) = ( 0.5000000 0.2166667 0.7166667), wk = 0.0025707 k( 88) = ( 0.5000000 0.2250000 0.7250000), wk = 0.0025707 k( 89) = ( 0.5000000 0.2333333 0.7333333), wk = 0.0025707 k( 90) = ( 0.5000000 0.2416667 0.7416667), wk = 0.0025707 k( 91) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0025707 k( 92) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0025707 k( 93) = ( 0.4940476 0.2559524 0.7500000), wk = 0.0025707 k( 94) = ( 0.4880952 0.2619048 0.7500000), wk = 0.0025707 k( 95) = ( 0.4821429 0.2678571 0.7500000), wk = 0.0025707 k( 96) = ( 0.4761905 0.2738095 0.7500000), wk = 0.0025707 k( 97) = ( 0.4702381 0.2797619 0.7500000), wk = 0.0025707 k( 98) = ( 0.4642857 0.2857143 0.7500000), wk = 0.0025707 k( 99) = ( 0.4583333 0.2916667 0.7500000), wk = 0.0025707 k( 100) = ( 0.4523810 0.2976190 0.7500000), wk = 0.0025707 k( 101) = ( 0.4464286 0.3035714 0.7500000), wk = 0.0025707 k( 102) = ( 0.4404762 0.3095238 0.7500000), wk = 0.0025707 k( 103) = ( 0.4345238 0.3154762 0.7500000), wk = 0.0025707 k( 104) = ( 0.4285714 0.3214286 0.7500000), wk = 0.0025707 k( 105) = ( 0.4226190 0.3273810 0.7500000), wk = 0.0025707 k( 106) = ( 0.4166667 0.3333333 0.7500000), wk = 0.0025707 k( 107) = ( 0.4107143 0.3392857 0.7500000), wk = 0.0025707 k( 108) = ( 0.4047619 0.3452381 0.7500000), wk = 0.0025707 k( 109) = ( 0.3988095 0.3511905 0.7500000), wk = 0.0025707 k( 110) = ( 0.3928571 0.3571429 0.7500000), wk = 0.0025707 k( 111) = ( 0.3869048 0.3630952 0.7500000), wk = 0.0025707 k( 112) = ( 0.3809524 0.3690476 0.7500000), wk = 0.0025707 k( 113) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0025707 k( 114) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0025707 k( 115) = ( 0.3689516 0.3689516 0.7379032), wk = 0.0025707 k( 116) = ( 0.3629032 0.3629032 0.7258064), wk = 0.0025707 k( 117) = ( 0.3568548 0.3568548 0.7137097), wk = 0.0025707 k( 118) = ( 0.3508064 0.3508064 0.7016129), wk = 0.0025707 k( 119) = ( 0.3447581 0.3447581 0.6895161), wk = 0.0025707 k( 120) = ( 0.3387097 0.3387097 0.6774194), wk = 0.0025707 k( 121) = ( 0.3326613 0.3326613 0.6653226), wk = 0.0025707 k( 122) = ( 0.3266129 0.3266129 0.6532258), wk = 0.0025707 k( 123) = ( 0.3205645 0.3205645 0.6411290), wk = 0.0025707 k( 124) = ( 0.3145161 0.3145161 0.6290323), wk = 0.0025707 k( 125) = ( 0.3084677 0.3084677 0.6169355), wk = 0.0025707 k( 126) = ( 0.3024193 0.3024193 0.6048387), wk = 0.0025707 k( 127) = ( 0.2963710 0.2963710 0.5927419), wk = 0.0025707 k( 128) = ( 0.2903226 0.2903226 0.5806452), wk = 0.0025707 k( 129) = ( 0.2842742 0.2842742 0.5685484), wk = 0.0025707 k( 130) = ( 0.2782258 0.2782258 0.5564516), wk = 0.0025707 k( 131) = ( 0.2721774 0.2721774 0.5443548), wk = 0.0025707 k( 132) = ( 0.2661290 0.2661290 0.5322581), wk = 0.0025707 k( 133) = ( 0.2600807 0.2600807 0.5201613), wk = 0.0025707 k( 134) = ( 0.2540323 0.2540323 0.5080645), wk = 0.0025707 k( 135) = ( 0.2479839 0.2479839 0.4959677), wk = 0.0025707 k( 136) = ( 0.2419355 0.2419355 0.4838710), wk = 0.0025707 k( 137) = ( 0.2358871 0.2358871 0.4717742), wk = 0.0025707 k( 138) = ( 0.2298387 0.2298387 0.4596774), wk = 0.0025707 k( 139) = ( 0.2237903 0.2237903 0.4475807), wk = 0.0025707 k( 140) = ( 0.2177419 0.2177419 0.4354839), wk = 0.0025707 k( 141) = ( 0.2116936 0.2116936 0.4233871), wk = 0.0025707 k( 142) = ( 0.2056452 0.2056452 0.4112903), wk = 0.0025707 k( 143) = ( 0.1995968 0.1995968 0.3991936), wk = 0.0025707 k( 144) = ( 0.1935484 0.1935484 0.3870968), wk = 0.0025707 k( 145) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0025707 k( 146) = ( 0.1814516 0.1814516 0.3629032), wk = 0.0025707 k( 147) = ( 0.1754032 0.1754032 0.3508064), wk = 0.0025707 k( 148) = ( 0.1693548 0.1693548 0.3387097), wk = 0.0025707 k( 149) = ( 0.1633064 0.1633064 0.3266129), wk = 0.0025707 k( 150) = ( 0.1572581 0.1572581 0.3145161), wk = 0.0025707 k( 151) = ( 0.1512097 0.1512097 0.3024193), wk = 0.0025707 k( 152) = ( 0.1451613 0.1451613 0.2903226), wk = 0.0025707 k( 153) = ( 0.1391129 0.1391129 0.2782258), wk = 0.0025707 k( 154) = ( 0.1330645 0.1330645 0.2661290), wk = 0.0025707 k( 155) = ( 0.1270161 0.1270161 0.2540323), wk = 0.0025707 k( 156) = ( 0.1209677 0.1209677 0.2419355), wk = 0.0025707 k( 157) = ( 0.1149194 0.1149194 0.2298387), wk = 0.0025707 k( 158) = ( 0.1088710 0.1088710 0.2177419), wk = 0.0025707 k( 159) = ( 0.1028226 0.1028226 0.2056452), wk = 0.0025707 k( 160) = ( 0.0967742 0.0967742 0.1935484), wk = 0.0025707 k( 161) = ( 0.0907258 0.0907258 0.1814516), wk = 0.0025707 k( 162) = ( 0.0846774 0.0846774 0.1693548), wk = 0.0025707 k( 163) = ( 0.0786290 0.0786290 0.1572581), wk = 0.0025707 k( 164) = ( 0.0725806 0.0725806 0.1451613), wk = 0.0025707 k( 165) = ( 0.0665323 0.0665323 0.1330645), wk = 0.0025707 k( 166) = ( 0.0604839 0.0604839 0.1209677), wk = 0.0025707 k( 167) = ( 0.0544355 0.0544355 0.1088710), wk = 0.0025707 k( 168) = ( 0.0483871 0.0483871 0.0967742), wk = 0.0025707 k( 169) = ( 0.0423387 0.0423387 0.0846774), wk = 0.0025707 k( 170) = ( 0.0362903 0.0362903 0.0725806), wk = 0.0025707 k( 171) = ( 0.0302419 0.0302419 0.0604839), wk = 0.0025707 k( 172) = ( 0.0241936 0.0241936 0.0483871), wk = 0.0025707 k( 173) = ( 0.0181452 0.0181452 0.0362903), wk = 0.0025707 k( 174) = ( 0.0120968 0.0120968 0.0241936), wk = 0.0025707 k( 175) = ( 0.0060484 0.0060484 0.0120968), wk = 0.0025707 k( 176) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025707 k( 177) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025707 k( 178) = ( 0.0098039 0.0098039 0.0098039), wk = 0.0025707 k( 179) = ( 0.0196078 0.0196078 0.0196078), wk = 0.0025707 k( 180) = ( 0.0294118 0.0294118 0.0294118), wk = 0.0025707 k( 181) = ( 0.0392157 0.0392157 0.0392157), wk = 0.0025707 k( 182) = ( 0.0490196 0.0490196 0.0490196), wk = 0.0025707 k( 183) = ( 0.0588235 0.0588235 0.0588235), wk = 0.0025707 k( 184) = ( 0.0686275 0.0686275 0.0686275), wk = 0.0025707 k( 185) = ( 0.0784314 0.0784314 0.0784314), wk = 0.0025707 k( 186) = ( 0.0882353 0.0882353 0.0882353), wk = 0.0025707 k( 187) = ( 0.0980392 0.0980392 0.0980392), wk = 0.0025707 k( 188) = ( 0.1078431 0.1078431 0.1078431), wk = 0.0025707 k( 189) = ( 0.1176471 0.1176471 0.1176471), wk = 0.0025707 k( 190) = ( 0.1274510 0.1274510 0.1274510), wk = 0.0025707 k( 191) = ( 0.1372549 0.1372549 0.1372549), wk = 0.0025707 k( 192) = ( 0.1470588 0.1470588 0.1470588), wk = 0.0025707 k( 193) = ( 0.1568627 0.1568627 0.1568627), wk = 0.0025707 k( 194) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0025707 k( 195) = ( 0.1764706 0.1764706 0.1764706), wk = 0.0025707 k( 196) = ( 0.1862745 0.1862745 0.1862745), wk = 0.0025707 k( 197) = ( 0.1960784 0.1960784 0.1960784), wk = 0.0025707 k( 198) = ( 0.2058823 0.2058823 0.2058824), wk = 0.0025707 k( 199) = ( 0.2156863 0.2156863 0.2156863), wk = 0.0025707 k( 200) = ( 0.2254902 0.2254902 0.2254902), wk = 0.0025707 k( 201) = ( 0.2352941 0.2352941 0.2352941), wk = 0.0025707 k( 202) = ( 0.2450980 0.2450980 0.2450980), wk = 0.0025707 k( 203) = ( 0.2549020 0.2549020 0.2549020), wk = 0.0025707 k( 204) = ( 0.2647059 0.2647059 0.2647059), wk = 0.0025707 k( 205) = ( 0.2745098 0.2745098 0.2745098), wk = 0.0025707 k( 206) = ( 0.2843137 0.2843137 0.2843137), wk = 0.0025707 k( 207) = ( 0.2941177 0.2941177 0.2941177), wk = 0.0025707 k( 208) = ( 0.3039216 0.3039216 0.3039216), wk = 0.0025707 k( 209) = ( 0.3137255 0.3137255 0.3137255), wk = 0.0025707 k( 210) = ( 0.3235294 0.3235294 0.3235294), wk = 0.0025707 k( 211) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0025707 k( 212) = ( 0.3431373 0.3431373 0.3431373), wk = 0.0025707 k( 213) = ( 0.3529412 0.3529412 0.3529412), wk = 0.0025707 k( 214) = ( 0.3627451 0.3627451 0.3627451), wk = 0.0025707 k( 215) = ( 0.3725490 0.3725490 0.3725490), wk = 0.0025707 k( 216) = ( 0.3823529 0.3823529 0.3823529), wk = 0.0025707 k( 217) = ( 0.3921569 0.3921569 0.3921569), wk = 0.0025707 k( 218) = ( 0.4019608 0.4019608 0.4019608), wk = 0.0025707 k( 219) = ( 0.4117647 0.4117647 0.4117647), wk = 0.0025707 k( 220) = ( 0.4215686 0.4215686 0.4215686), wk = 0.0025707 k( 221) = ( 0.4313726 0.4313726 0.4313726), wk = 0.0025707 k( 222) = ( 0.4411765 0.4411765 0.4411765), wk = 0.0025707 k( 223) = ( 0.4509804 0.4509804 0.4509804), wk = 0.0025707 k( 224) = ( 0.4607843 0.4607843 0.4607843), wk = 0.0025707 k( 225) = ( 0.4705882 0.4705882 0.4705882), wk = 0.0025707 k( 226) = ( 0.4803922 0.4803922 0.4803922), wk = 0.0025707 k( 227) = ( 0.4901961 0.4901961 0.4901961), wk = 0.0025707 k( 228) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025707 k( 229) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025707 k( 230) = ( 0.5034722 0.4930556 0.5034722), wk = 0.0025707 k( 231) = ( 0.5069444 0.4861111 0.5069444), wk = 0.0025707 k( 232) = ( 0.5104167 0.4791667 0.5104167), wk = 0.0025707 k( 233) = ( 0.5138889 0.4722222 0.5138889), wk = 0.0025707 k( 234) = ( 0.5173611 0.4652778 0.5173611), wk = 0.0025707 k( 235) = ( 0.5208333 0.4583333 0.5208333), wk = 0.0025707 k( 236) = ( 0.5243056 0.4513889 0.5243056), wk = 0.0025707 k( 237) = ( 0.5277778 0.4444444 0.5277778), wk = 0.0025707 k( 238) = ( 0.5312500 0.4375000 0.5312500), wk = 0.0025707 k( 239) = ( 0.5347222 0.4305556 0.5347222), wk = 0.0025707 k( 240) = ( 0.5381944 0.4236111 0.5381944), wk = 0.0025707 k( 241) = ( 0.5416667 0.4166667 0.5416667), wk = 0.0025707 k( 242) = ( 0.5451389 0.4097222 0.5451389), wk = 0.0025707 k( 243) = ( 0.5486111 0.4027778 0.5486111), wk = 0.0025707 k( 244) = ( 0.5520833 0.3958333 0.5520833), wk = 0.0025707 k( 245) = ( 0.5555556 0.3888889 0.5555556), wk = 0.0025707 k( 246) = ( 0.5590278 0.3819444 0.5590278), wk = 0.0025707 k( 247) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0025707 k( 248) = ( 0.5659722 0.3680556 0.5659722), wk = 0.0025707 k( 249) = ( 0.5694444 0.3611111 0.5694444), wk = 0.0025707 k( 250) = ( 0.5729167 0.3541667 0.5729167), wk = 0.0025707 k( 251) = ( 0.5763889 0.3472222 0.5763889), wk = 0.0025707 k( 252) = ( 0.5798611 0.3402778 0.5798611), wk = 0.0025707 k( 253) = ( 0.5833333 0.3333333 0.5833333), wk = 0.0025707 k( 254) = ( 0.5868056 0.3263889 0.5868056), wk = 0.0025707 k( 255) = ( 0.5902778 0.3194444 0.5902778), wk = 0.0025707 k( 256) = ( 0.5937500 0.3125000 0.5937500), wk = 0.0025707 k( 257) = ( 0.5972222 0.3055556 0.5972222), wk = 0.0025707 k( 258) = ( 0.6006944 0.2986111 0.6006944), wk = 0.0025707 k( 259) = ( 0.6041667 0.2916667 0.6041667), wk = 0.0025707 k( 260) = ( 0.6076389 0.2847222 0.6076389), wk = 0.0025707 k( 261) = ( 0.6111111 0.2777778 0.6111111), wk = 0.0025707 k( 262) = ( 0.6145833 0.2708333 0.6145833), wk = 0.0025707 k( 263) = ( 0.6180556 0.2638889 0.6180556), wk = 0.0025707 k( 264) = ( 0.6215278 0.2569444 0.6215278), wk = 0.0025707 k( 265) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0025707 k( 266) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0025707 k( 267) = ( 0.6190476 0.2500000 0.6309524), wk = 0.0025707 k( 268) = ( 0.6130952 0.2500000 0.6369048), wk = 0.0025707 k( 269) = ( 0.6071429 0.2500000 0.6428571), wk = 0.0025707 k( 270) = ( 0.6011905 0.2500000 0.6488095), wk = 0.0025707 k( 271) = ( 0.5952381 0.2500000 0.6547619), wk = 0.0025707 k( 272) = ( 0.5892857 0.2500000 0.6607143), wk = 0.0025707 k( 273) = ( 0.5833333 0.2500000 0.6666667), wk = 0.0025707 k( 274) = ( 0.5773810 0.2500000 0.6726191), wk = 0.0025707 k( 275) = ( 0.5714286 0.2500000 0.6785714), wk = 0.0025707 k( 276) = ( 0.5654762 0.2500000 0.6845238), wk = 0.0025707 k( 277) = ( 0.5595238 0.2500000 0.6904762), wk = 0.0025707 k( 278) = ( 0.5535714 0.2500000 0.6964286), wk = 0.0025707 k( 279) = ( 0.5476190 0.2500000 0.7023810), wk = 0.0025707 k( 280) = ( 0.5416667 0.2500000 0.7083333), wk = 0.0025707 k( 281) = ( 0.5357143 0.2500000 0.7142857), wk = 0.0025707 k( 282) = ( 0.5297619 0.2500000 0.7202381), wk = 0.0025707 k( 283) = ( 0.5238095 0.2500000 0.7261905), wk = 0.0025707 k( 284) = ( 0.5178571 0.2500000 0.7321429), wk = 0.0025707 k( 285) = ( 0.5119048 0.2500000 0.7380952), wk = 0.0025707 k( 286) = ( 0.5059524 0.2500000 0.7440476), wk = 0.0025707 k( 287) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0025707 k( 288) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0025707 k( 289) = ( 0.5000000 0.2559524 0.7440476), wk = 0.0025707 k( 290) = ( 0.5000000 0.2619048 0.7380952), wk = 0.0025707 k( 291) = ( 0.5000000 0.2678571 0.7321429), wk = 0.0025707 k( 292) = ( 0.5000000 0.2738095 0.7261905), wk = 0.0025707 k( 293) = ( 0.5000000 0.2797619 0.7202381), wk = 0.0025707 k( 294) = ( 0.5000000 0.2857143 0.7142857), wk = 0.0025707 k( 295) = ( 0.5000000 0.2916667 0.7083333), wk = 0.0025707 k( 296) = ( 0.5000000 0.2976190 0.7023810), wk = 0.0025707 k( 297) = ( 0.5000000 0.3035714 0.6964286), wk = 0.0025707 k( 298) = ( 0.5000000 0.3095238 0.6904762), wk = 0.0025707 k( 299) = ( 0.5000000 0.3154762 0.6845238), wk = 0.0025707 k( 300) = ( 0.5000000 0.3214286 0.6785714), wk = 0.0025707 k( 301) = ( 0.5000000 0.3273810 0.6726191), wk = 0.0025707 k( 302) = ( 0.5000000 0.3333333 0.6666667), wk = 0.0025707 k( 303) = ( 0.5000000 0.3392857 0.6607143), wk = 0.0025707 k( 304) = ( 0.5000000 0.3452381 0.6547619), wk = 0.0025707 k( 305) = ( 0.5000000 0.3511905 0.6488095), wk = 0.0025707 k( 306) = ( 0.5000000 0.3571429 0.6428571), wk = 0.0025707 k( 307) = ( 0.5000000 0.3630952 0.6369048), wk = 0.0025707 k( 308) = ( 0.5000000 0.3690476 0.6309524), wk = 0.0025707 k( 309) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0025707 k( 310) = ( 0.5000000 0.3809524 0.6190476), wk = 0.0025707 k( 311) = ( 0.5000000 0.3869048 0.6130952), wk = 0.0025707 k( 312) = ( 0.5000000 0.3928571 0.6071429), wk = 0.0025707 k( 313) = ( 0.5000000 0.3988095 0.6011905), wk = 0.0025707 k( 314) = ( 0.5000000 0.4047619 0.5952381), wk = 0.0025707 k( 315) = ( 0.5000000 0.4107143 0.5892857), wk = 0.0025707 k( 316) = ( 0.5000000 0.4166667 0.5833333), wk = 0.0025707 k( 317) = ( 0.5000000 0.4226190 0.5773810), wk = 0.0025707 k( 318) = ( 0.5000000 0.4285714 0.5714286), wk = 0.0025707 k( 319) = ( 0.5000000 0.4345238 0.5654762), wk = 0.0025707 k( 320) = ( 0.5000000 0.4404762 0.5595238), wk = 0.0025707 k( 321) = ( 0.5000000 0.4464286 0.5535714), wk = 0.0025707 k( 322) = ( 0.5000000 0.4523810 0.5476190), wk = 0.0025707 k( 323) = ( 0.5000000 0.4583333 0.5416667), wk = 0.0025707 k( 324) = ( 0.5000000 0.4642857 0.5357143), wk = 0.0025707 k( 325) = ( 0.5000000 0.4702381 0.5297619), wk = 0.0025707 k( 326) = ( 0.5000000 0.4761905 0.5238095), wk = 0.0025707 k( 327) = ( 0.5000000 0.4821429 0.5178571), wk = 0.0025707 k( 328) = ( 0.5000000 0.4880952 0.5119048), wk = 0.0025707 k( 329) = ( 0.5000000 0.4940476 0.5059524), wk = 0.0025707 k( 330) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025707 k( 331) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025707 k( 332) = ( 0.4965278 0.4965278 0.5069444), wk = 0.0025707 k( 333) = ( 0.4930556 0.4930556 0.5138889), wk = 0.0025707 k( 334) = ( 0.4895833 0.4895833 0.5208333), wk = 0.0025707 k( 335) = ( 0.4861111 0.4861111 0.5277778), wk = 0.0025707 k( 336) = ( 0.4826389 0.4826389 0.5347222), wk = 0.0025707 k( 337) = ( 0.4791667 0.4791667 0.5416667), wk = 0.0025707 k( 338) = ( 0.4756944 0.4756944 0.5486111), wk = 0.0025707 k( 339) = ( 0.4722222 0.4722222 0.5555556), wk = 0.0025707 k( 340) = ( 0.4687500 0.4687500 0.5625000), wk = 0.0025707 k( 341) = ( 0.4652778 0.4652778 0.5694444), wk = 0.0025707 k( 342) = ( 0.4618056 0.4618056 0.5763889), wk = 0.0025707 k( 343) = ( 0.4583333 0.4583333 0.5833333), wk = 0.0025707 k( 344) = ( 0.4548611 0.4548611 0.5902778), wk = 0.0025707 k( 345) = ( 0.4513889 0.4513889 0.5972222), wk = 0.0025707 k( 346) = ( 0.4479167 0.4479167 0.6041667), wk = 0.0025707 k( 347) = ( 0.4444444 0.4444444 0.6111111), wk = 0.0025707 k( 348) = ( 0.4409722 0.4409722 0.6180556), wk = 0.0025707 k( 349) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0025707 k( 350) = ( 0.4340278 0.4340278 0.6319444), wk = 0.0025707 k( 351) = ( 0.4305556 0.4305556 0.6388889), wk = 0.0025707 k( 352) = ( 0.4270833 0.4270833 0.6458333), wk = 0.0025707 k( 353) = ( 0.4236111 0.4236111 0.6527778), wk = 0.0025707 k( 354) = ( 0.4201389 0.4201389 0.6597222), wk = 0.0025707 k( 355) = ( 0.4166667 0.4166667 0.6666667), wk = 0.0025707 k( 356) = ( 0.4131944 0.4131944 0.6736111), wk = 0.0025707 k( 357) = ( 0.4097222 0.4097222 0.6805556), wk = 0.0025707 k( 358) = ( 0.4062500 0.4062500 0.6875000), wk = 0.0025707 k( 359) = ( 0.4027778 0.4027778 0.6944444), wk = 0.0025707 k( 360) = ( 0.3993056 0.3993056 0.7013889), wk = 0.0025707 k( 361) = ( 0.3958333 0.3958333 0.7083333), wk = 0.0025707 k( 362) = ( 0.3923611 0.3923611 0.7152778), wk = 0.0025707 k( 363) = ( 0.3888889 0.3888889 0.7222222), wk = 0.0025707 k( 364) = ( 0.3854167 0.3854167 0.7291667), wk = 0.0025707 k( 365) = ( 0.3819444 0.3819444 0.7361111), wk = 0.0025707 k( 366) = ( 0.3784722 0.3784722 0.7430556), wk = 0.0025707 k( 367) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0025707 k( 368) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0025707 k( 369) = ( 0.6190476 0.2380952 0.6190476), wk = 0.0025707 k( 370) = ( 0.6130952 0.2261905 0.6130952), wk = 0.0025707 k( 371) = ( 0.6071429 0.2142857 0.6071429), wk = 0.0025707 k( 372) = ( 0.6011905 0.2023810 0.6011905), wk = 0.0025707 k( 373) = ( 0.5952381 0.1904762 0.5952381), wk = 0.0025707 k( 374) = ( 0.5892857 0.1785714 0.5892857), wk = 0.0025707 k( 375) = ( 0.5833333 0.1666667 0.5833333), wk = 0.0025707 k( 376) = ( 0.5773810 0.1547619 0.5773810), wk = 0.0025707 k( 377) = ( 0.5714286 0.1428571 0.5714286), wk = 0.0025707 k( 378) = ( 0.5654762 0.1309524 0.5654762), wk = 0.0025707 k( 379) = ( 0.5595238 0.1190476 0.5595238), wk = 0.0025707 k( 380) = ( 0.5535714 0.1071429 0.5535714), wk = 0.0025707 k( 381) = ( 0.5476190 0.0952381 0.5476191), wk = 0.0025707 k( 382) = ( 0.5416667 0.0833333 0.5416667), wk = 0.0025707 k( 383) = ( 0.5357143 0.0714286 0.5357143), wk = 0.0025707 k( 384) = ( 0.5297619 0.0595238 0.5297619), wk = 0.0025707 k( 385) = ( 0.5238095 0.0476190 0.5238095), wk = 0.0025707 k( 386) = ( 0.5178571 0.0357143 0.5178571), wk = 0.0025707 k( 387) = ( 0.5119048 0.0238095 0.5119048), wk = 0.0025707 k( 388) = ( 0.5059524 0.0119048 0.5059524), wk = 0.0025707 k( 389) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025707 Dense grid: 20539 G-vectors FFT dimensions: ( 40, 40, 40) Smooth grid: 10969 G-vectors FFT dimensions: ( 32, 32, 32) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.03 Mb ( 70, 30) NL pseudopotentials 0.04 Mb ( 35, 68) Each V/rho on FFT grid 0.02 Mb ( 1600) Each G-vector array 0.00 Mb ( 428) G-vector shells 0.00 Mb ( 191) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.13 Mb ( 70, 120) Each subspace H/S matrix 0.22 Mb ( 120, 120) Each matrix 0.06 Mb ( 68, 2, 30) Check: negative/imaginary core charge= -0.000006 0.000000 The potential is recalculated from file : ./ZnNi.save/charge-density.dat Starting wfc are 36 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 42.4 secs Computing kpt #: 2 total cpu time spent up to now is 42.9 secs Computing kpt #: 3 total cpu time spent up to now is 43.4 secs Computing kpt #: 4 total cpu time spent up to now is 43.9 secs Computing kpt #: 5 total cpu time spent up to now is 44.4 secs Computing kpt #: 6 total cpu time spent up to now is 44.8 secs Computing kpt #: 7 total cpu time spent up to now is 45.2 secs Computing kpt #: 8 total cpu time spent up to now is 45.6 secs Computing kpt #: 9 total cpu time spent up to now is 45.9 secs Computing kpt #: 10 total cpu time spent up to now is 46.2 secs Computing kpt #: 11 total cpu time spent up to now is 46.5 secs Computing kpt #: 12 total cpu time spent up to now is 46.8 secs Computing kpt #: 13 total cpu time spent up to now is 47.1 secs Computing kpt #: 14 total cpu time spent up to now is 47.4 secs Computing kpt #: 15 total cpu time spent up to now is 47.7 secs Computing kpt #: 16 total cpu time spent up to now is 48.0 secs Computing kpt #: 17 total cpu time spent up to now is 48.3 secs Computing kpt #: 18 total cpu time spent up to now is 48.6 secs Computing kpt #: 19 total cpu time spent up to now is 48.9 secs Computing kpt #: 20 total cpu time spent up to now is 49.1 secs Computing kpt #: 21 total cpu time spent up to now is 49.4 secs Computing kpt #: 22 total cpu time spent up to now is 49.7 secs Computing kpt #: 23 total cpu time spent up to now is 50.0 secs Computing kpt #: 24 total cpu time spent up to now is 50.4 secs Computing kpt #: 25 total cpu time spent up to now is 50.7 secs Computing kpt #: 26 total cpu time spent up to now is 51.0 secs Computing kpt #: 27 total cpu time spent up to now is 51.3 secs Computing kpt #: 28 total cpu time spent up to now is 51.6 secs Computing kpt #: 29 total cpu time spent up to now is 51.9 secs Computing kpt #: 30 total cpu time spent up to now is 52.2 secs Computing kpt #: 31 total cpu time spent up to now is 52.5 secs Computing kpt #: 32 total cpu time spent up to now is 52.8 secs Computing kpt #: 33 total cpu time spent up to now is 53.1 secs Computing kpt #: 34 total cpu time spent up to now is 53.4 secs Computing kpt #: 35 total cpu time spent up to now is 53.8 secs Computing kpt #: 36 total cpu time spent up to now is 54.1 secs Computing kpt #: 37 total cpu time spent up to now is 54.4 secs Computing kpt #: 38 total cpu time spent up to now is 54.7 secs Computing kpt #: 39 total cpu time spent up to now is 55.0 secs Computing kpt #: 40 total cpu time spent up to now is 55.3 secs Computing kpt #: 41 total cpu time spent up to now is 55.6 secs Computing kpt #: 42 total cpu time spent up to now is 55.9 secs Computing kpt #: 43 total cpu time spent up to now is 56.2 secs Computing kpt #: 44 total cpu time spent up to now is 56.5 secs Computing kpt #: 45 total cpu time spent up to now is 56.8 secs Computing kpt #: 46 total cpu time spent up to now is 57.2 secs Computing kpt #: 47 total cpu time spent up to now is 57.5 secs Computing kpt #: 48 total cpu time spent up to now is 57.8 secs Computing kpt #: 49 total cpu time spent up to now is 58.1 secs Computing kpt #: 50 total cpu time spent up to now is 58.4 secs Computing kpt #: 51 total cpu time spent up to now is 58.8 secs Computing kpt #: 52 total cpu time spent up to now is 59.1 secs Computing kpt #: 53 total cpu time spent up to now is 59.4 secs Computing kpt #: 54 total cpu time spent up to now is 59.8 secs Computing kpt #: 55 total cpu time spent up to now is 60.1 secs Computing kpt #: 56 total cpu time spent up to now is 60.5 secs Computing kpt #: 57 total cpu time spent up to now is 61.1 secs Computing kpt #: 58 total cpu time spent up to now is 61.4 secs Computing kpt #: 59 total cpu time spent up to now is 62.2 secs Computing kpt #: 60 total cpu time spent up to now is 62.8 secs Computing kpt #: 61 total cpu time spent up to now is 63.5 secs Computing kpt #: 62 total cpu time spent up to now is 63.9 secs Computing kpt #: 63 total cpu time spent up to now is 64.7 secs Computing kpt #: 64 total cpu time spent up to now is 65.2 secs Computing kpt #: 65 total cpu time spent up to now is 65.6 secs Computing kpt #: 66 total cpu time spent up to now is 66.1 secs Computing kpt #: 67 total cpu time spent up to now is 66.5 secs Computing kpt #: 68 total cpu time spent up to now is 66.9 secs Computing kpt #: 69 total cpu time spent up to now is 67.4 secs Computing kpt #: 70 total cpu time spent up to now is 67.7 secs Computing kpt #: 71 total cpu time spent up to now is 68.1 secs Computing kpt #: 72 total cpu time spent up to now is 68.4 secs Computing kpt #: 73 total cpu time spent up to now is 68.8 secs Computing kpt #: 74 total cpu time spent up to now is 69.1 secs Computing kpt #: 75 total cpu time spent up to now is 69.5 secs Computing kpt #: 76 total cpu time spent up to now is 69.8 secs Computing kpt #: 77 total cpu time spent up to now is 70.2 secs Computing kpt #: 78 total cpu time spent up to now is 70.6 secs Computing kpt #: 79 total cpu time spent up to now is 71.2 secs Computing kpt #: 80 total cpu time spent up to now is 71.5 secs Computing kpt #: 81 total cpu time spent up to now is 71.9 secs Computing kpt #: 82 total cpu time spent up to now is 72.3 secs Computing kpt #: 83 total cpu time spent up to now is 72.9 secs Computing kpt #: 84 total cpu 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Computing kpt #: 100 total cpu time spent up to now is 82.3 secs Computing kpt #: 101 total cpu time spent up to now is 82.6 secs Computing kpt #: 102 total cpu time spent up to now is 82.9 secs Computing kpt #: 103 total cpu time spent up to now is 83.3 secs Computing kpt #: 104 total cpu time spent up to now is 83.8 secs Computing kpt #: 105 total cpu time spent up to now is 84.2 secs Computing kpt #: 106 total cpu time spent up to now is 84.5 secs Computing kpt #: 107 total cpu time spent up to now is 84.9 secs Computing kpt #: 108 total cpu time spent up to now is 85.2 secs Computing kpt #: 109 total cpu time spent up to now is 85.6 secs Computing kpt #: 110 total cpu time spent up to now is 86.0 secs Computing kpt #: 111 total cpu time spent up to now is 86.4 secs Computing kpt #: 112 total cpu time spent up to now is 86.8 secs Computing kpt #: 113 total cpu time spent up to now is 87.1 secs Computing kpt #: 114 total cpu time spent up to now is 87.4 secs Computing kpt #: 115 total cpu time spent up to now is 87.8 secs Computing kpt #: 116 total cpu time spent up to now is 88.1 secs Computing kpt #: 117 total cpu time spent up to now is 88.5 secs Computing kpt #: 118 total cpu time spent up to now is 89.2 secs Computing kpt #: 119 total cpu time spent up to now is 89.6 secs Computing kpt #: 120 total cpu time spent up to now is 90.1 secs Computing kpt #: 121 total cpu time spent up to now is 90.5 secs Computing kpt #: 122 total cpu time spent up to now is 91.0 secs Computing kpt #: 123 total cpu time spent up to now is 91.6 secs Computing kpt #: 124 total cpu time spent up to now is 92.0 secs Computing kpt #: 125 total cpu time spent up to now is 92.6 secs Computing kpt #: 126 total cpu time spent up to now is 93.1 secs Computing kpt #: 127 total cpu time spent up to now is 93.7 secs Computing kpt #: 128 total cpu time spent up to now is 94.2 secs Computing kpt #: 129 total cpu time spent up to now is 94.8 secs Computing kpt #: 130 total cpu time spent up to now is 95.2 secs Computing kpt #: 131 total cpu time spent up to now is 95.7 secs Computing kpt #: 132 total cpu time spent up to now is 96.1 secs Computing kpt #: 133 total cpu time spent up to now is 96.8 secs Computing kpt #: 134 total cpu time spent up to now is 97.1 secs Computing kpt #: 135 total cpu time spent up to now is 97.4 secs Computing kpt #: 136 total cpu time spent up to now is 97.7 secs Computing kpt #: 137 total cpu time spent up to now is 98.5 secs Computing kpt #: 138 total cpu time spent up to now is 98.8 secs Computing kpt #: 139 total cpu time spent up to now is 99.1 secs Computing kpt #: 140 total cpu time spent up to now is 99.4 secs Computing kpt #: 141 total cpu time spent up to now is 100.1 secs Computing kpt #: 142 total cpu time spent up to now is 100.4 secs Computing kpt #: 143 total cpu time spent up to now is 100.8 secs Computing kpt #: 144 total cpu time spent up to now is 101.1 secs Computing kpt #: 145 total cpu time spent up to now is 101.7 secs Computing kpt #: 146 total cpu time spent up to now is 102.7 secs Computing kpt #: 147 total cpu time spent up to now is 103.7 secs Computing kpt #: 148 total cpu time spent up to now is 104.2 secs Computing kpt #: 149 total cpu time spent up to now is 104.7 secs Computing kpt #: 150 total cpu time spent up to now is 105.3 secs Computing kpt #: 151 total cpu time spent up to now is 106.5 secs Computing kpt #: 152 total cpu time spent up to now is 107.1 secs Computing kpt #: 153 total cpu time spent up to now is 107.6 secs Computing kpt #: 154 total cpu time spent up to now is 108.1 secs Computing kpt #: 155 total cpu time spent up to now is 108.7 secs Computing kpt #: 156 total cpu time spent up to now is 109.2 secs Computing kpt #: 157 total cpu time spent up to now is 109.9 secs Computing kpt #: 158 total cpu time spent up to now is 110.7 secs Computing kpt #: 159 total cpu time spent up to now is 111.4 secs Computing kpt #: 160 total cpu time spent up to now is 112.1 secs Computing kpt #: 161 total cpu time spent up to now is 112.6 secs Computing kpt #: 162 total cpu time spent up to now is 113.2 secs Computing kpt #: 163 total cpu time spent up to now is 113.7 secs Computing kpt #: 164 total cpu time spent up to now is 114.2 secs Computing kpt #: 165 total cpu time spent up to now is 114.8 secs Computing kpt #: 166 total cpu time spent up to now is 115.6 secs Computing kpt #: 167 total cpu time spent up to now is 116.3 secs Computing kpt #: 168 total cpu time spent up to now is 116.8 secs Computing kpt #: 169 total cpu time spent up to now is 117.8 secs Computing kpt #: 170 total cpu time spent up to now is 118.6 secs Computing kpt #: 171 total cpu time spent up to now is 119.6 secs Computing kpt #: 172 total cpu time spent up to now is 120.3 secs Computing kpt #: 173 total cpu time spent up to now is 120.8 secs Computing kpt #: 174 total cpu time spent up to now is 121.7 secs Computing kpt #: 175 total cpu time spent up to now is 122.3 secs Computing kpt #: 176 total cpu time spent up to now is 122.8 secs Computing kpt #: 177 total cpu time spent up to now is 123.7 secs Computing kpt #: 178 total cpu time spent up to now is 124.2 secs Computing kpt #: 179 total cpu time spent up to now is 124.9 secs Computing kpt #: 180 total cpu time spent up to now is 125.5 secs Computing kpt #: 181 total cpu time spent up to now is 126.1 secs Computing kpt #: 182 total cpu time spent up to now is 126.8 secs Computing kpt #: 183 total cpu time spent up to now is 127.5 secs Computing kpt #: 184 total cpu time spent up to now is 128.4 secs Computing kpt #: 185 total cpu time spent up to now is 129.5 secs Computing kpt #: 186 total cpu time spent up to now is 130.1 secs Computing kpt #: 187 total cpu time spent up to now is 130.7 secs Computing kpt #: 188 total cpu time spent up to now is 131.4 secs Computing kpt #: 189 total cpu time spent up to now is 131.9 secs Computing kpt #: 190 total cpu time spent up to now is 132.4 secs Computing kpt #: 191 total cpu time spent up to now is 132.8 secs Computing kpt #: 192 total cpu time spent up to now is 133.2 secs Computing kpt #: 193 total cpu time spent up to now is 133.7 secs Computing kpt #: 194 total cpu time spent up to now is 134.1 secs Computing kpt #: 195 total cpu time spent up to now is 134.5 secs Computing kpt #: 196 total cpu time spent up to now is 134.9 secs Computing kpt #: 197 total cpu time spent up to now is 135.2 secs Computing kpt #: 198 total cpu time spent up to now is 135.6 secs Computing kpt #: 199 total cpu time spent up to now is 136.0 secs Computing kpt #: 200 total cpu time spent up to now is 136.3 secs Computing kpt #: 201 total cpu time spent up to now is 136.6 secs Computing kpt #: 202 total cpu time spent up to now is 137.0 secs Computing kpt #: 203 total cpu time spent up to now is 137.4 secs Computing kpt #: 204 total cpu time spent up to now is 137.8 secs Computing kpt #: 205 total cpu time spent up to now is 138.3 secs Computing kpt #: 206 total cpu time spent up to now is 138.9 secs Computing kpt #: 207 total cpu time spent up to now is 139.2 secs Computing kpt #: 208 total cpu time spent up to now is 139.6 secs Computing kpt #: 209 total cpu time spent up to now is 140.1 secs Computing kpt #: 210 total cpu time spent up to now is 140.6 secs Computing kpt #: 211 total cpu time spent up to now is 141.1 secs Computing kpt #: 212 total cpu time spent up to now is 141.4 secs Computing kpt #: 213 total cpu time spent up to now is 141.8 secs Computing kpt #: 214 total cpu time spent up to now is 142.1 secs Computing kpt #: 215 total cpu time spent up to now is 142.6 secs Computing kpt #: 216 total cpu time spent up to now is 143.0 secs Computing kpt #: 217 total cpu time spent up to now is 143.3 secs Computing kpt #: 218 total cpu time spent up to now is 144.1 secs Computing kpt #: 219 total cpu time spent up to now is 144.4 secs Computing kpt #: 220 total cpu time spent up to now is 144.8 secs Computing kpt #: 221 total cpu time spent up to now is 145.3 secs Computing kpt #: 222 total cpu time spent up to now is 145.8 secs Computing kpt #: 223 total cpu time spent up to now is 146.2 secs Computing kpt #: 224 total cpu time spent up to now is 146.6 secs Computing kpt #: 225 total cpu time spent up to now is 147.1 secs Computing kpt #: 226 total cpu time spent up to now is 147.8 secs Computing kpt #: 227 total cpu time spent up to now is 148.1 secs Computing kpt #: 228 total cpu time spent up to now is 148.4 secs Computing kpt #: 229 total cpu time spent up to now is 148.7 secs Computing kpt #: 230 total cpu time spent up to now is 149.1 secs Computing kpt #: 231 total cpu time spent up to now is 149.4 secs Computing kpt #: 232 total cpu time spent up to now is 149.8 secs Computing kpt #: 233 total cpu time spent up to now is 150.1 secs Computing kpt #: 234 total cpu time spent up to now is 150.4 secs Computing kpt #: 235 total cpu time spent up to now is 151.0 secs Computing kpt #: 236 total cpu time spent up to now is 151.4 secs Computing kpt #: 237 total cpu time spent up to now is 151.7 secs Computing kpt #: 238 total cpu time spent up to now is 152.1 secs Computing kpt #: 239 total cpu time spent up to now is 152.6 secs Computing kpt #: 240 total cpu time spent up to now is 152.9 secs Computing kpt #: 241 total cpu time spent up to now is 153.2 secs Computing kpt #: 242 total cpu time spent up to now is 153.7 secs Computing kpt #: 243 total cpu time spent up to now is 154.1 secs Computing kpt #: 244 total cpu time spent up to now is 154.5 secs Computing kpt #: 245 total cpu time spent up to now is 155.0 secs Computing kpt #: 246 total cpu time spent up to now is 155.4 secs Computing kpt #: 247 total cpu time spent up to now is 155.8 secs Computing kpt #: 248 total cpu time spent up to now is 156.1 secs Computing kpt #: 249 total cpu time spent up to now is 156.4 secs Computing kpt #: 250 total cpu time spent up to now is 156.7 secs Computing kpt #: 251 total cpu time spent up to now is 157.0 secs Computing kpt #: 252 total cpu time spent up to now is 157.3 secs Computing kpt #: 253 total cpu time spent up to now is 157.6 secs Computing kpt #: 254 total cpu time spent up to now is 157.9 secs Computing kpt #: 255 total cpu time spent up to now is 158.1 secs Computing kpt #: 256 total cpu time spent up to now is 158.4 secs Computing kpt #: 257 total cpu time spent up to now is 158.8 secs Computing kpt #: 258 total cpu time spent up to now is 159.3 secs Computing kpt #: 259 total cpu time spent up to now is 160.1 secs Computing kpt #: 260 total cpu time spent up to now is 160.6 secs Computing kpt #: 261 total cpu time spent up to now is 161.1 secs Computing kpt #: 262 total cpu time spent up to now is 161.5 secs Computing kpt #: 263 total cpu time spent up to now is 162.1 secs Computing kpt #: 264 total cpu time spent up to now is 162.4 secs Computing kpt #: 265 total cpu time spent up to now is 162.7 secs Computing kpt #: 266 total cpu time spent up to now is 163.0 secs Computing kpt #: 267 total cpu time spent up to now is 163.3 secs Computing kpt #: 268 total cpu time spent up to now is 163.6 secs Computing kpt #: 269 total cpu time spent up to now is 163.9 secs Computing kpt #: 270 total cpu time spent up to now is 164.2 secs Computing kpt #: 271 total cpu time spent up to now is 164.5 secs Computing kpt #: 272 total cpu time spent up to now is 164.8 secs Computing kpt #: 273 total cpu time spent up to now is 165.1 secs Computing kpt #: 274 total cpu time spent up to now is 165.7 secs Computing kpt #: 275 total cpu time spent up to now is 166.4 secs Computing kpt #: 276 total cpu time spent up to now is 167.5 secs Computing kpt #: 277 total cpu time spent up to now is 168.4 secs Computing kpt #: 278 total cpu time spent up to now is 168.9 secs Computing kpt #: 279 total cpu time spent up to now is 169.9 secs Computing kpt #: 280 total cpu time spent up to now is 170.7 secs Computing kpt #: 281 total cpu time spent up to now is 171.0 secs Computing kpt #: 282 total cpu time spent up to now is 171.3 secs Computing kpt #: 283 total cpu time spent up to now is 171.7 secs Computing kpt #: 284 total cpu time spent up to now is 172.0 secs Computing kpt #: 285 total cpu time spent up to now is 172.4 secs Computing kpt #: 286 total cpu time spent up to now is 172.8 secs Computing kpt #: 287 total cpu time spent up to now is 173.2 secs Computing kpt #: 288 total cpu time spent up to now is 173.6 secs Computing kpt #: 289 total cpu time spent up to now is 173.9 secs Computing kpt #: 290 total cpu time spent up to now is 174.3 secs Computing kpt #: 291 total cpu time spent up to now is 174.7 secs Computing kpt #: 292 total cpu time spent up to now is 175.3 secs Computing kpt #: 293 total cpu time spent up to now is 175.9 secs Computing kpt #: 294 total cpu time spent up to now is 176.6 secs Computing kpt #: 295 total cpu time spent up to now is 177.4 secs Computing kpt #: 296 total cpu time spent up to now is 177.7 secs Computing kpt #: 297 total cpu time spent up to now is 178.1 secs Computing kpt #: 298 total cpu time spent up to now is 178.4 secs Computing kpt #: 299 total cpu time spent up to now is 178.8 secs Computing kpt #: 300 total cpu time spent up to now is 179.1 secs Computing kpt #: 301 total cpu time spent up to now is 179.4 secs Computing kpt #: 302 total cpu time spent up to now is 179.8 secs Computing kpt #: 303 total cpu time spent up to now is 180.1 secs Computing kpt #: 304 total cpu time spent up to now is 180.4 secs Computing kpt #: 305 total cpu time spent up to now is 180.8 secs Computing kpt #: 306 total cpu time spent up to now is 181.1 secs Computing kpt #: 307 total cpu time spent up to now is 181.4 secs Computing kpt #: 308 total cpu time spent up to now is 181.8 secs Computing kpt #: 309 total cpu time spent up to now is 182.1 secs Computing kpt #: 310 total cpu time spent up to now is 182.4 secs Computing kpt #: 311 total cpu time spent up to now is 182.8 secs Computing kpt #: 312 total cpu time spent up to now is 183.4 secs Computing kpt #: 313 total cpu time spent up to now is 184.1 secs Computing kpt #: 314 total cpu time spent up to now is 184.7 secs Computing kpt #: 315 total cpu time spent up to now is 185.0 secs Computing kpt #: 316 total cpu time spent up to now is 185.4 secs Computing kpt #: 317 total cpu time spent up to now is 185.7 secs Computing kpt #: 318 total cpu time spent up to now is 186.1 secs Computing kpt #: 319 total cpu time spent up to now is 186.4 secs Computing kpt #: 320 total cpu time spent up to now is 186.7 secs Computing kpt #: 321 total cpu time spent up to now is 187.1 secs Computing kpt #: 322 total cpu time spent up to now is 187.4 secs Computing kpt #: 323 total cpu time spent up to now is 187.8 secs Computing kpt #: 324 total cpu time spent up to now is 188.2 secs Computing kpt #: 325 total cpu time spent up to now is 188.8 secs Computing kpt #: 326 total cpu time spent up to now is 189.7 secs Computing kpt #: 327 total cpu time spent up to now is 190.7 secs Computing kpt #: 328 total cpu time spent up to now is 191.7 secs Computing kpt #: 329 total cpu time spent up to now is 192.4 secs Computing kpt #: 330 total cpu time spent up to now is 193.0 secs Computing kpt #: 331 total cpu time spent up to now is 193.9 secs Computing kpt #: 332 total cpu time spent up to now is 194.3 secs Computing kpt #: 333 total cpu time spent up to now is 195.6 secs Computing kpt #: 334 total cpu time spent up to now is 196.3 secs Computing kpt #: 335 total cpu time spent up to now is 196.8 secs Computing kpt #: 336 total cpu time spent up to now is 197.4 secs Computing kpt #: 337 total cpu time spent up to now is 197.8 secs Computing kpt #: 338 total cpu time spent up to now is 198.4 secs Computing kpt #: 339 total cpu time spent up to now is 198.8 secs Computing kpt #: 340 total cpu time spent up to now is 199.1 secs Computing kpt #: 341 total cpu time spent up to now is 199.4 secs Computing kpt #: 342 total cpu time spent up to now is 199.8 secs Computing kpt #: 343 total cpu time spent up to now is 200.1 secs Computing kpt #: 344 total cpu time spent up to now is 200.4 secs Computing kpt #: 345 total cpu time spent up to now is 200.7 secs Computing kpt #: 346 total cpu time spent up to now is 201.1 secs Computing kpt #: 347 total cpu time spent up to now is 201.5 secs Computing kpt #: 348 total cpu time spent up to now is 201.8 secs Computing kpt #: 349 total cpu time spent up to now is 202.3 secs Computing kpt #: 350 total cpu time spent up to now is 202.7 secs Computing kpt #: 351 total cpu time spent up to now is 203.1 secs Computing kpt #: 352 total cpu time spent up to now is 203.4 secs Computing kpt #: 353 total cpu time spent up to now is 203.9 secs Computing kpt #: 354 total cpu time spent up to now is 204.2 secs Computing kpt #: 355 total cpu time spent up to now is 204.7 secs Computing kpt #: 356 total cpu time spent up to now is 205.4 secs Computing kpt #: 357 total cpu time spent up to now is 205.8 secs Computing kpt #: 358 total cpu time spent up to now is 206.1 secs Computing kpt #: 359 total cpu time spent up to now is 206.7 secs Computing kpt #: 360 total cpu time spent up to now is 207.1 secs Computing kpt #: 361 total cpu time spent up to now is 207.4 secs Computing kpt #: 362 total cpu time spent up to now is 207.8 secs Computing kpt #: 363 total cpu time spent up to now is 208.2 secs Computing kpt #: 364 total cpu time spent up to now is 208.7 secs Computing kpt #: 365 total cpu time spent up to now is 209.0 secs Computing kpt #: 366 total cpu time spent up to now is 209.4 secs Computing kpt #: 367 total cpu time spent up to now is 209.7 secs Computing kpt #: 368 total cpu time spent up to now is 210.1 secs Computing kpt #: 369 total cpu time spent up to now is 210.4 secs Computing kpt #: 370 total cpu time spent up to now is 210.7 secs Computing kpt #: 371 total cpu time spent up to now is 211.0 secs Computing kpt #: 372 total cpu time spent up to now is 211.3 secs Computing kpt #: 373 total cpu time spent up to now is 211.6 secs Computing kpt #: 374 total cpu time spent up to now is 211.9 secs Computing kpt #: 375 total cpu time spent up to now is 212.6 secs Computing kpt #: 376 total cpu time spent up to now is 213.0 secs Computing kpt #: 377 total cpu time spent up to now is 213.5 secs Computing kpt #: 378 total cpu time spent up to now is 213.9 secs Computing kpt #: 379 total cpu time spent up to now is 214.3 secs Computing kpt #: 380 total cpu time spent up to now is 214.7 secs Computing kpt #: 381 total cpu time spent up to now is 215.0 secs Computing kpt #: 382 total cpu time spent up to now is 215.3 secs Computing kpt #: 383 total cpu time spent up to now is 215.6 secs Computing kpt #: 384 total cpu time spent up to now is 216.0 secs Computing kpt #: 385 total cpu time spent up to now is 216.3 secs Computing kpt #: 386 total cpu time spent up to now is 216.9 secs Computing kpt #: 387 total cpu time spent up to now is 217.4 secs Computing kpt #: 388 total cpu time spent up to now is 218.3 secs Computing kpt #: 389 total cpu time spent up to now is 218.9 secs ethr = 4.55E-11, avg # of iterations = 20.2 total cpu time spent up to now is 219.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1363 PWs) bands (ev): -0.7945 -0.7945 -0.6968 -0.6968 -0.6968 -0.6968 -0.3895 -0.3895 -0.3180 -0.3180 -0.3180 -0.3180 4.7346 4.7346 4.7346 4.7346 4.8515 4.8515 5.3780 5.3780 5.3780 5.3780 14.6050 14.6050 14.8170 14.8170 14.8170 14.8170 15.7603 15.7603 k = 0.0085-0.0049 0.0069 ( 1363 PWs) bands (ev): -0.7932 -0.7932 -0.6973 -0.6973 -0.6961 -0.6961 -0.3895 -0.3895 -0.3187 -0.3187 -0.3173 -0.3173 4.7336 4.7336 4.7358 4.7358 4.8516 4.8516 5.3769 5.3769 5.3790 5.3790 14.5866 14.5866 14.7875 14.7875 14.8012 14.8012 15.7754 15.7754 k = 0.0169-0.0098 0.0138 ( 1363 PWs) bands (ev): -0.7893 -0.7893 -0.6977 -0.6977 -0.6953 -0.6953 -0.3894 -0.3894 -0.3194 -0.3194 -0.3165 -0.3165 4.7324 4.7324 4.7371 4.7371 4.8516 4.8516 5.3756 5.3756 5.3798 5.3798 14.5325 14.5325 14.7080 14.7080 14.7584 14.7584 15.7802 15.7802 k = 0.0254-0.0147 0.0208 ( 1371 PWs) bands (ev): -0.7828 -0.7828 -0.6978 -0.6978 -0.6943 -0.6943 -0.3893 -0.3893 -0.3200 -0.3200 -0.3156 -0.3156 4.7309 4.7309 4.7386 4.7386 4.8517 4.8517 5.3740 5.3740 5.3803 5.3803 14.4475 14.4475 14.5961 14.5961 14.6972 14.6972 15.7500 15.7500 k = 0.0339-0.0196 0.0277 ( 1371 PWs) bands (ev): -0.7741 -0.7741 -0.6977 -0.6977 -0.6930 -0.6930 -0.3891 -0.3891 -0.3204 -0.3204 -0.3147 -0.3147 4.7293 4.7293 4.7405 4.7405 4.8520 4.8520 5.3724 5.3724 5.3809 5.3809 14.3392 14.3392 14.4656 14.4656 14.6229 14.6229 15.7009 15.7009 k = 0.0424-0.0245 0.0346 ( 1371 PWs) bands (ev): -0.7633 -0.7633 -0.6971 -0.6971 -0.6913 -0.6913 -0.3888 -0.3888 -0.3209 -0.3209 -0.3138 -0.3138 4.7271 4.7271 4.7427 4.7427 4.8525 4.8525 5.3706 5.3706 5.3814 5.3814 14.2153 14.2153 14.3247 14.3247 14.5374 14.5374 15.6399 15.6399 k = 0.0508-0.0294 0.0415 ( 1371 PWs) bands (ev): -0.7513 -0.7513 -0.6960 -0.6960 -0.6885 -0.6885 -0.3884 -0.3884 -0.3212 -0.3212 -0.3127 -0.3127 4.7245 4.7245 4.7454 4.7454 4.8532 4.8532 5.3685 5.3685 5.3817 5.3817 14.0816 14.0816 14.1782 14.1782 14.4421 14.4421 15.5705 15.5705 k = 0.0593-0.0342 0.0484 ( 1379 PWs) bands (ev): -0.7393 -0.7393 -0.6946 -0.6946 -0.6832 -0.6832 -0.3879 -0.3879 -0.3214 -0.3214 -0.3117 -0.3117 4.7213 4.7213 4.7485 4.7485 4.8542 4.8542 5.3662 5.3662 5.3818 5.3818 13.9420 13.9420 14.0286 14.0286 14.3382 14.3382 15.4947 15.4947 k = 0.0678-0.0391 0.0554 ( 1379 PWs) bands (ev): -0.7294 -0.7294 -0.6931 -0.6931 -0.6731 -0.6731 -0.3873 -0.3873 -0.3216 -0.3216 -0.3106 -0.3106 4.7174 4.7174 4.7521 4.7521 4.8557 4.8557 5.3638 5.3638 5.3820 5.3820 13.7990 13.7990 13.8776 13.8776 14.2267 14.2267 15.4143 15.4143 k = 0.0763-0.0440 0.0623 ( 1379 PWs) bands (ev): -0.7230 -0.7230 -0.6917 -0.6917 -0.6567 -0.6567 -0.3864 -0.3864 -0.3216 -0.3216 -0.3095 -0.3095 4.7128 4.7128 4.7561 4.7561 4.8576 4.8576 5.3612 5.3612 5.3821 5.3821 13.6540 13.6540 13.7262 13.7262 14.1088 14.1088 15.3304 15.3304 k = 0.0847-0.0489 0.0692 ( 1375 PWs) bands (ev): -0.7194 -0.7194 -0.6904 -0.6904 -0.6347 -0.6347 -0.3854 -0.3854 -0.3214 -0.3214 -0.3082 -0.3082 4.7075 4.7075 4.7607 4.7607 4.8602 4.8602 5.3586 5.3586 5.3822 5.3822 13.5081 13.5081 13.5750 13.5750 13.9853 13.9853 15.2442 15.2442 k = 0.0932-0.0538 0.0761 ( 1379 PWs) bands (ev): -0.7176 -0.7176 -0.6892 -0.6892 -0.6085 -0.6085 -0.3840 -0.3840 -0.3212 -0.3212 -0.3070 -0.3070 4.7013 4.7013 4.7656 4.7656 4.8633 4.8633 5.3554 5.3554 5.3821 5.3821 13.3621 13.3621 13.4245 13.4245 13.8568 13.8568 15.1566 15.1566 k = 0.1017-0.0587 0.0830 ( 1371 PWs) bands (ev): -0.7166 -0.7166 -0.6879 -0.6879 -0.5791 -0.5791 -0.3821 -0.3821 -0.3206 -0.3206 -0.3056 -0.3056 4.6944 4.6944 4.7713 4.7713 4.8672 4.8672 5.3523 5.3523 5.3821 5.3821 13.2165 13.2165 13.2751 13.2751 13.7240 13.7240 15.0682 15.0682 k = 0.1102-0.0636 0.0900 ( 1379 PWs) bands (ev): -0.7163 -0.7163 -0.6867 -0.6867 -0.5474 -0.5474 -0.3794 -0.3794 -0.3198 -0.3198 -0.3041 -0.3041 4.6865 4.6865 4.7772 4.7772 4.8715 4.8715 5.3488 5.3488 5.3819 5.3819 13.0716 13.0716 13.1268 13.1268 13.5870 13.5870 14.9797 14.9797 k = 0.1186-0.0685 0.0969 ( 1371 PWs) bands (ev): -0.7162 -0.7162 -0.6855 -0.6855 -0.5144 -0.5144 -0.3754 -0.3754 -0.3184 -0.3184 -0.3024 -0.3024 4.6780 4.6780 4.7837 4.7837 4.8767 4.8767 5.3455 5.3455 5.3818 5.3818 12.9277 12.9277 12.9800 12.9800 13.4464 13.4464 14.8916 14.8916 k = 0.1271-0.0734 0.1038 ( 1371 PWs) bands (ev): -0.7164 -0.7164 -0.6844 -0.6844 -0.4820 -0.4820 -0.3691 -0.3691 -0.3159 -0.3159 -0.3004 -0.3004 4.6686 4.6686 4.7906 4.7906 4.8823 4.8823 5.3418 5.3418 5.3816 5.3816 12.7850 12.7850 12.8348 12.8348 13.3021 13.3021 14.8043 14.8043 k = 0.1356-0.0783 0.1107 ( 1363 PWs) bands (ev): -0.7167 -0.7167 -0.6832 -0.6832 -0.4531 -0.4531 -0.3595 -0.3595 -0.3112 -0.3112 -0.2972 -0.2972 4.6587 4.6587 4.7981 4.7981 4.8888 4.8888 5.3381 5.3381 5.3815 5.3815 12.6438 12.6438 12.6913 12.6913 13.1543 13.1543 14.7182 14.7182 k = 0.1441-0.0832 0.1176 ( 1371 PWs) bands (ev): -0.7172 -0.7172 -0.6821 -0.6821 -0.4316 -0.4316 -0.3478 -0.3478 -0.3042 -0.3042 -0.2883 -0.2883 4.6478 4.6478 4.8057 4.8057 4.8956 4.8956 5.3342 5.3342 5.3814 5.3814 12.5040 12.5040 12.5495 12.5495 13.0031 13.0031 14.6336 14.6336 k = 0.1525-0.0881 0.1246 ( 1371 PWs) bands (ev): -0.7176 -0.7176 -0.6810 -0.6810 -0.4181 -0.4181 -0.3389 -0.3389 -0.2996 -0.2996 -0.2629 -0.2629 4.6364 4.6364 4.8140 4.8140 4.9032 4.9032 5.3302 5.3302 5.3812 5.3812 12.3659 12.3659 12.4097 12.4097 12.8486 12.8486 14.5508 14.5508 k = 0.1610-0.0930 0.1315 ( 1371 PWs) bands (ev): -0.7182 -0.7182 -0.6799 -0.6799 -0.4101 -0.4101 -0.3343 -0.3343 -0.2968 -0.2968 -0.2230 -0.2230 4.6243 4.6243 4.8228 4.8228 4.9114 4.9114 5.3262 5.3262 5.3810 5.3810 12.2295 12.2295 12.2717 12.2717 12.6908 12.6908 14.4699 14.4699 k = 0.1695-0.0979 0.1384 ( 1371 PWs) bands (ev): -0.7188 -0.7188 -0.6789 -0.6789 -0.4052 -0.4052 -0.3319 -0.3319 -0.2945 -0.2945 -0.1744 -0.1744 4.6117 4.6117 4.8320 4.8320 4.9201 4.9201 5.3221 5.3221 5.3808 5.3808 12.0948 12.0948 12.1358 12.1358 12.5296 12.5296 14.3911 14.3911 k = 0.1780-0.1027 0.1453 ( 1371 PWs) bands (ev): -0.7195 -0.7195 -0.6779 -0.6779 -0.4019 -0.4019 -0.3307 -0.3307 -0.2924 -0.2924 -0.1202 -0.1202 4.5985 4.5985 4.8417 4.8417 4.9295 4.9295 5.3180 5.3180 5.3807 5.3807 11.9621 11.9621 12.0020 12.0020 12.3654 12.3654 14.3145 14.3145 k = 0.1864-0.1076 0.1522 ( 1371 PWs) bands (ev): -0.7202 -0.7202 -0.6769 -0.6769 -0.3994 -0.3994 -0.3299 -0.3299 -0.2902 -0.2902 -0.0618 -0.0618 4.5848 4.5848 4.8518 4.8518 4.9394 4.9394 5.3139 5.3139 5.3805 5.3805 11.8311 11.8311 11.8703 11.8703 12.1980 12.1980 14.2404 14.2404 k = 0.1949-0.1125 0.1591 ( 1359 PWs) bands (ev): -0.7208 -0.7208 -0.6759 -0.6759 -0.3973 -0.3973 -0.3295 -0.3295 -0.2879 -0.2879 0.0002 0.0002 4.5708 4.5708 4.8625 4.8625 4.9500 4.9500 5.3100 5.3100 5.3805 5.3805 11.7020 11.7020 11.7408 11.7408 12.0278 12.0278 14.1686 14.1686 k = 0.2034-0.1174 0.1661 ( 1355 PWs) bands (ev): -0.7215 -0.7215 -0.6750 -0.6750 -0.3956 -0.3956 -0.3294 -0.3294 -0.2855 -0.2855 0.0655 0.0655 4.5561 4.5561 4.8736 4.8736 4.9611 4.9611 5.3061 5.3061 5.3806 5.3806 11.5745 11.5745 11.6135 11.6135 11.8551 11.8551 14.0993 14.0993 k = 0.2119-0.1223 0.1730 ( 1355 PWs) bands (ev): -0.7223 -0.7223 -0.6742 -0.6742 -0.3941 -0.3941 -0.3294 -0.3294 -0.2832 -0.2832 0.1337 0.1337 4.5411 4.5411 4.8850 4.8850 4.9726 4.9726 5.3023 5.3023 5.3805 5.3805 11.4484 11.4484 11.4885 11.4885 11.6804 11.6804 14.0326 14.0326 k = 0.2203-0.1272 0.1799 ( 1355 PWs) bands (ev): -0.7230 -0.7230 -0.6735 -0.6735 -0.3927 -0.3927 -0.3295 -0.3295 -0.2808 -0.2808 0.2048 0.2048 4.5256 4.5256 4.8968 4.8968 4.9846 4.9846 5.2987 5.2987 5.3804 5.3804 11.3228 11.3228 11.3658 11.3658 11.5049 11.5049 13.9685 13.9685 k = 0.2288-0.1321 0.1868 ( 1355 PWs) bands (ev): -0.7238 -0.7238 -0.6728 -0.6728 -0.3913 -0.3913 -0.3297 -0.3297 -0.2784 -0.2784 0.2786 0.2786 4.5098 4.5098 4.9089 4.9089 4.9970 4.9970 5.2954 5.2954 5.3804 5.3804 11.1953 11.1953 11.2454 11.2454 11.3313 11.3313 13.9069 13.9069 k = 0.2373-0.1370 0.1937 ( 1355 PWs) bands (ev): -0.7246 -0.7246 -0.6722 -0.6722 -0.3900 -0.3900 -0.3300 -0.3300 -0.2759 -0.2759 0.3551 0.3551 4.4936 4.4936 4.9214 4.9214 5.0098 5.0098 5.2923 5.2923 5.3805 5.3805 11.0589 11.0589 11.1272 11.1272 11.1672 11.1672 13.8480 13.8480 k = 0.2458-0.1419 0.2007 ( 1355 PWs) bands (ev): -0.7254 -0.7254 -0.6717 -0.6717 -0.3887 -0.3887 -0.3304 -0.3304 -0.2734 -0.2734 0.4341 0.4341 4.4771 4.4771 4.9343 4.9343 5.0231 5.0231 5.2896 5.2896 5.3806 5.3806 10.9025 10.9025 11.0104 11.0104 11.0247 11.0247 13.7916 13.7916 k = 0.2542-0.1468 0.2076 ( 1355 PWs) bands (ev): -0.7262 -0.7262 -0.6713 -0.6713 -0.3874 -0.3874 -0.3309 -0.3309 -0.2708 -0.2708 0.5156 0.5156 4.4603 4.4603 4.9474 4.9474 5.0367 5.0367 5.2873 5.2873 5.3808 5.3808 10.7280 10.7280 10.8934 10.8934 10.9039 10.9039 13.7379 13.7379 k = 0.2627-0.1517 0.2145 ( 1355 PWs) bands (ev): -0.7269 -0.7269 -0.6709 -0.6709 -0.3861 -0.3861 -0.3314 -0.3314 -0.2683 -0.2683 0.5995 0.5995 4.4431 4.4431 4.9608 4.9608 5.0506 5.0506 5.2856 5.2856 5.3810 5.3810 10.5450 10.5450 10.7796 10.7796 10.7923 10.7923 13.6867 13.6867 k = 0.2712-0.1566 0.2214 ( 1355 PWs) bands (ev): -0.7277 -0.7277 -0.6707 -0.6707 -0.3848 -0.3848 -0.3319 -0.3319 -0.2657 -0.2657 0.6858 0.6858 4.4257 4.4257 4.9744 4.9744 5.0648 5.0648 5.2844 5.2844 5.3813 5.3813 10.3583 10.3583 10.6703 10.6703 10.6845 10.6845 13.6381 13.6381 k = 0.2797-0.1615 0.2283 ( 1359 PWs) bands (ev): -0.7284 -0.7284 -0.6706 -0.6706 -0.3835 -0.3835 -0.3325 -0.3325 -0.2631 -0.2631 0.7743 0.7743 4.4079 4.4079 4.9881 4.9881 5.0792 5.0792 5.2837 5.2837 5.3818 5.3818 10.1696 10.1696 10.5647 10.5647 10.5798 10.5798 13.5920 13.5920 k = 0.2881-0.1664 0.2353 ( 1363 PWs) bands (ev): -0.7291 -0.7291 -0.6706 -0.6706 -0.3822 -0.3822 -0.3332 -0.3332 -0.2605 -0.2605 0.8649 0.8649 4.3898 4.3898 5.0020 5.0020 5.0937 5.0937 5.2838 5.2838 5.3822 5.3822 9.9800 9.9800 10.4624 10.4624 10.4780 10.4780 13.5483 13.5483 k = 0.2966-0.1712 0.2422 ( 1363 PWs) bands (ev): -0.7298 -0.7298 -0.6706 -0.6706 -0.3808 -0.3808 -0.3338 -0.3338 -0.2580 -0.2580 0.9576 0.9576 4.3713 4.3713 5.0160 5.0160 5.1084 5.1084 5.2848 5.2848 5.3829 5.3829 9.7900 9.7900 10.3633 10.3633 10.3792 10.3792 13.5072 13.5072 k = 0.3051-0.1761 0.2491 ( 1363 PWs) bands (ev): -0.7304 -0.7304 -0.6708 -0.6708 -0.3794 -0.3794 -0.3344 -0.3344 -0.2554 -0.2554 1.0523 1.0523 4.3525 4.3525 5.0301 5.0301 5.1231 5.1231 5.2867 5.2867 5.3837 5.3837 9.6002 9.6002 10.2673 10.2673 10.2833 10.2833 13.4685 13.4685 k = 0.3136-0.1810 0.2560 ( 1363 PWs) bands (ev): -0.7310 -0.7310 -0.6710 -0.6710 -0.3780 -0.3780 -0.3351 -0.3351 -0.2529 -0.2529 1.1489 1.1489 4.3334 4.3334 5.0443 5.0443 5.1377 5.1377 5.2896 5.2896 5.3847 5.3847 9.4110 9.4110 10.1745 10.1745 10.1905 10.1905 13.4322 13.4322 k = 0.3220-0.1859 0.2629 ( 1355 PWs) bands (ev): -0.7315 -0.7315 -0.6714 -0.6714 -0.3766 -0.3766 -0.3357 -0.3357 -0.2504 -0.2504 1.2471 1.2471 4.3139 4.3139 5.0585 5.0585 5.1523 5.1523 5.2936 5.2936 5.3860 5.3860 9.2228 9.2228 10.0849 10.0849 10.1009 10.1009 13.3983 13.3983 k = 0.3305-0.1908 0.2699 ( 1347 PWs) bands (ev): -0.7319 -0.7319 -0.6717 -0.6717 -0.3751 -0.3751 -0.3363 -0.3363 -0.2480 -0.2480 1.3469 1.3469 4.2938 4.2938 5.0728 5.0728 5.1666 5.1666 5.2989 5.2989 5.3875 5.3875 9.0358 9.0358 9.9984 9.9984 10.0144 10.0144 13.3667 13.3667 k = 0.3390-0.1957 0.2768 ( 1351 PWs) bands (ev): -0.7324 -0.7324 -0.6723 -0.6723 -0.3737 -0.3737 -0.3371 -0.3371 -0.2457 -0.2457 1.4482 1.4482 4.2732 4.2732 5.0868 5.0868 5.1805 5.1805 5.3051 5.3051 5.3893 5.3893 8.8506 8.8506 9.9153 9.9153 9.9313 9.9313 13.3374 13.3374 k = 0.3475-0.2006 0.2837 ( 1363 PWs) bands (ev): -0.7328 -0.7328 -0.6730 -0.6730 -0.3724 -0.3724 -0.3378 -0.3378 -0.2434 -0.2434 1.5506 1.5506 4.2519 4.2519 5.1007 5.1007 5.1937 5.1937 5.3125 5.3125 5.3913 5.3913 8.6673 8.6673 9.8355 9.8355 9.8516 9.8516 13.3103 13.3103 k = 0.3559-0.2055 0.2906 ( 1363 PWs) bands (ev): -0.7332 -0.7332 -0.6737 -0.6737 -0.3710 -0.3710 -0.3385 -0.3385 -0.2412 -0.2412 1.6541 1.6541 4.2299 4.2299 5.1148 5.1148 5.2067 5.2067 5.3212 5.3212 5.3937 5.3937 8.4865 8.4865 9.7592 9.7592 9.7754 9.7754 13.2854 13.2854 k = 0.3644-0.2104 0.2975 ( 1363 PWs) bands (ev): -0.7335 -0.7335 -0.6744 -0.6744 -0.3696 -0.3696 -0.3392 -0.3392 -0.2391 -0.2391 1.7584 1.7584 4.2072 4.2072 5.1290 5.1290 5.2191 5.2191 5.3311 5.3311 5.3967 5.3967 8.3085 8.3085 9.6864 9.6864 9.7027 9.7027 13.2627 13.2627 k = 0.3729-0.2153 0.3045 ( 1359 PWs) bands (ev): -0.7337 -0.7337 -0.6752 -0.6752 -0.3683 -0.3683 -0.3398 -0.3398 -0.2371 -0.2371 1.8632 1.8632 4.1837 4.1837 5.1433 5.1433 5.2308 5.2308 5.3422 5.3422 5.4003 5.4003 8.1336 8.1336 9.6173 9.6173 9.6337 9.6337 13.2421 13.2421 k = 0.3814-0.2202 0.3114 ( 1359 PWs) bands (ev): -0.7338 -0.7338 -0.6760 -0.6760 -0.3669 -0.3669 -0.3405 -0.3405 -0.2351 -0.2351 1.9683 1.9683 4.1591 4.1591 5.1576 5.1576 5.2418 5.2418 5.3541 5.3541 5.4046 5.4046 7.9623 7.9623 9.5520 9.5520 9.5686 9.5686 13.2236 13.2236 k = 0.3898-0.2251 0.3183 ( 1359 PWs) bands (ev): -0.7340 -0.7340 -0.6769 -0.6769 -0.3656 -0.3656 -0.3412 -0.3412 -0.2333 -0.2333 2.0732 2.0732 4.1335 4.1335 5.1722 5.1722 5.2520 5.2520 5.3668 5.3668 5.4099 5.4099 7.7949 7.7949 9.4904 9.4904 9.5073 9.5073 13.2071 13.2071 k = 0.3983-0.2300 0.3252 ( 1359 PWs) bands (ev): -0.7340 -0.7340 -0.6778 -0.6778 -0.3643 -0.3643 -0.3419 -0.3419 -0.2316 -0.2316 2.1776 2.1776 4.1066 4.1066 5.1868 5.1868 5.2614 5.2614 5.3799 5.3799 5.4168 5.4168 7.6320 7.6320 9.4329 9.4329 9.4500 9.4500 13.1926 13.1926 k = 0.4068-0.2349 0.3321 ( 1359 PWs) bands (ev): -0.7340 -0.7340 -0.6788 -0.6788 -0.3630 -0.3630 -0.3425 -0.3425 -0.2300 -0.2300 2.2811 2.2811 4.0784 4.0784 5.2015 5.2015 5.2699 5.2699 5.3925 5.3925 5.4260 5.4260 7.4741 7.4741 9.3794 9.3794 9.3968 9.3968 13.1800 13.1800 k = 0.4153-0.2397 0.3391 ( 1351 PWs) bands (ev): -0.7340 -0.7340 -0.6796 -0.6796 -0.3617 -0.3617 -0.3432 -0.3432 -0.2285 -0.2285 2.3830 2.3830 4.0489 4.0489 5.2162 5.2162 5.2776 5.2776 5.4039 5.4039 5.4387 5.4387 7.3217 7.3217 9.3302 9.3302 9.3478 9.3478 13.1692 13.1692 k = 0.4237-0.2446 0.3460 ( 1359 PWs) bands (ev): -0.7340 -0.7340 -0.6806 -0.6806 -0.3606 -0.3606 -0.3439 -0.3439 -0.2271 -0.2271 2.4827 2.4827 4.0179 4.0179 5.2303 5.2303 5.2842 5.2842 5.4130 5.4130 5.4556 5.4556 7.1755 7.1755 9.2852 9.2852 9.3031 9.3031 13.1603 13.1603 k = 0.4322-0.2495 0.3529 ( 1359 PWs) bands (ev): -0.7339 -0.7339 -0.6814 -0.6814 -0.3594 -0.3594 -0.3446 -0.3446 -0.2259 -0.2259 2.5794 2.5794 3.9855 3.9855 5.2438 5.2438 5.2902 5.2902 5.4207 5.4207 5.4764 5.4764 7.0362 7.0362 9.2446 9.2446 9.2628 9.2628 13.1530 13.1530 k = 0.4407-0.2544 0.3598 ( 1359 PWs) bands (ev): -0.7337 -0.7337 -0.6823 -0.6823 -0.3583 -0.3583 -0.3453 -0.3453 -0.2248 -0.2248 2.6724 2.6724 3.9519 3.9519 5.2564 5.2564 5.2955 5.2955 5.4274 5.4274 5.5006 5.5006 6.9048 6.9048 9.2085 9.2085 9.2269 9.2269 13.1472 13.1472 k = 0.4492-0.2593 0.3667 ( 1359 PWs) bands (ev): -0.7336 -0.7336 -0.6830 -0.6830 -0.3572 -0.3572 -0.3460 -0.3460 -0.2239 -0.2239 2.7602 2.7602 3.9176 3.9176 5.2675 5.2675 5.3001 5.3001 5.4334 5.4334 5.5277 5.5277 6.7824 6.7824 9.1770 9.1770 9.1957 9.1957 13.1429 13.1429 k = 0.4576-0.2642 0.3737 ( 1359 PWs) bands (ev): -0.7335 -0.7335 -0.6836 -0.6836 -0.3562 -0.3562 -0.3467 -0.3467 -0.2231 -0.2231 2.8416 2.8416 3.8831 3.8831 5.2768 5.2768 5.3043 5.3043 5.4385 5.4385 5.5573 5.5573 6.6705 6.6705 9.1502 9.1502 9.1691 9.1691 13.1399 13.1399 k = 0.4661-0.2691 0.3806 ( 1358 PWs) bands (ev): -0.7334 -0.7334 -0.6842 -0.6842 -0.3552 -0.3552 -0.3473 -0.3473 -0.2224 -0.2224 2.9146 2.9146 3.8497 3.8497 5.2842 5.2842 5.3082 5.3082 5.4428 5.4428 5.5881 5.5881 6.5710 6.5710 9.1282 9.1282 9.1473 9.1473 13.1379 13.1379 k = 0.4746-0.2740 0.3875 ( 1362 PWs) bands (ev): -0.7333 -0.7333 -0.6847 -0.6847 -0.3543 -0.3543 -0.3481 -0.3481 -0.2219 -0.2219 2.9768 2.9768 3.8191 3.8191 5.2895 5.2895 5.3116 5.3116 5.4463 5.4463 5.6181 5.6181 6.4865 6.4865 9.1110 9.1110 9.1302 9.1302 13.1367 13.1367 k = 0.4831-0.2789 0.3944 ( 1362 PWs) bands (ev): -0.7332 -0.7332 -0.6850 -0.6850 -0.3536 -0.3536 -0.3487 -0.3487 -0.2215 -0.2215 3.0250 3.0250 3.7938 3.7938 5.2931 5.2931 5.3144 5.3144 5.4489 5.4489 5.6444 5.6444 6.4209 6.4209 9.0986 9.0986 9.1180 9.1180 13.1361 13.1361 k = 0.4915-0.2838 0.4013 ( 1362 PWs) bands (ev): -0.7332 -0.7332 -0.6852 -0.6852 -0.3530 -0.3530 -0.3492 -0.3492 -0.2213 -0.2213 3.0560 3.0560 3.7768 3.7768 5.2950 5.2950 5.3162 5.3162 5.4504 5.4504 5.6628 5.6628 6.3787 6.3787 9.0912 9.0912 9.1107 9.1107 13.1358 13.1358 k = 0.5000-0.2887 0.4082 ( 1362 PWs) bands (ev): -0.7332 -0.7332 -0.6853 -0.6853 -0.3527 -0.3527 -0.3494 -0.3494 -0.2212 -0.2212 3.0667 3.0667 3.7708 3.7708 5.2957 5.2957 5.3169 5.3169 5.4510 5.4510 5.6695 5.6695 6.3640 6.3640 9.0887 9.0887 9.1082 9.1082 13.1358 13.1358 k = 0.5000-0.2887 0.4082 ( 1362 PWs) bands (ev): -0.7332 -0.7332 -0.6853 -0.6853 -0.3527 -0.3527 -0.3494 -0.3494 -0.2212 -0.2212 3.0667 3.0667 3.7708 3.7708 5.2957 5.2957 5.3169 5.3169 5.4510 5.4510 5.6695 5.6695 6.3640 6.3640 9.0887 9.0887 9.1082 9.1082 13.1358 13.1358 k = 0.5000-0.2791 0.4151 ( 1362 PWs) bands (ev): -0.7333 -0.7329 -0.6864 -0.6842 -0.3532 -0.3525 -0.3505 -0.3481 -0.2218 -0.2208 3.0664 3.0669 3.7715 3.7727 5.2870 5.3033 5.3158 5.3169 5.4464 5.4544 5.6680 5.6757 6.3634 6.3636 9.0834 9.0847 9.1025 9.1047 13.1428 13.1445 k = 0.5000-0.2694 0.4219 ( 1362 PWs) bands (ev): -0.7333 -0.7325 -0.6874 -0.6830 -0.3539 -0.3528 -0.3513 -0.3466 -0.2226 -0.2205 3.0661 3.0672 3.7745 3.7769 5.2774 5.3096 5.3139 5.3159 5.4409 5.4570 5.6712 5.6861 6.3617 6.3622 9.0686 9.0715 9.0877 9.0920 13.1654 13.1689 k = 0.5000-0.2598 0.4287 ( 1362 PWs) bands (ev): -0.7332 -0.7320 -0.6884 -0.6817 -0.3547 -0.3536 -0.3517 -0.3451 -0.2236 -0.2204 3.0658 3.0675 3.7800 3.7836 5.2670 5.3101 5.3140 5.3154 5.4344 5.4589 5.6789 5.7004 6.3590 6.3597 9.0444 9.0492 9.0648 9.0706 13.2034 13.2085 k = 0.5000-0.2502 0.4355 ( 1358 PWs) bands (ev): -0.7329 -0.7314 -0.6893 -0.6804 -0.3558 -0.3546 -0.3519 -0.3435 -0.2246 -0.2205 3.0655 3.0677 3.7879 3.7928 5.2560 5.3062 5.3112 5.3192 5.4276 5.4606 5.6909 5.7181 6.3552 6.3561 9.0110 9.0180 9.0347 9.0414 13.2561 13.2628 k = 0.5000-0.2406 0.4423 ( 1358 PWs) bands (ev): -0.7326 -0.7307 -0.6902 -0.6791 -0.3571 -0.3556 -0.3522 -0.3417 -0.2259 -0.2207 3.0652 3.0679 3.7982 3.8043 5.2444 5.3013 5.3076 5.3215 5.4207 5.4620 5.7066 5.7388 6.3504 6.3516 8.9689 8.9784 8.9982 9.0055 13.3228 13.3309 k = 0.5000-0.2309 0.4491 ( 1358 PWs) bands (ev): -0.7321 -0.7298 -0.6909 -0.6778 -0.3585 -0.3567 -0.3525 -0.3399 -0.2273 -0.2212 3.0648 3.0681 3.8108 3.8182 5.2323 5.2955 5.3031 5.3220 5.4143 5.4635 5.7258 5.7620 6.3445 6.3461 8.9190 8.9310 8.9562 8.9639 13.4027 13.4121 k = 0.5000-0.2213 0.4559 ( 1354 PWs) bands (ev): -0.7315 -0.7288 -0.6917 -0.6765 -0.3601 -0.3578 -0.3529 -0.3380 -0.2288 -0.2217 3.0646 3.0683 3.8258 3.8344 5.2201 5.2891 5.2980 5.3205 5.4090 5.4650 5.7480 5.7875 6.3377 6.3395 8.8623 8.8767 8.9096 8.9176 13.4949 13.5054 k = 0.5000-0.2117 0.4627 ( 1356 PWs) bands (ev): -0.7309 -0.7277 -0.6923 -0.6752 -0.3619 -0.3590 -0.3532 -0.3359 -0.2305 -0.2225 3.0642 3.0685 3.8429 3.8529 5.2075 5.2821 5.2923 5.3166 5.4049 5.4665 5.7727 5.8150 6.3297 6.3320 8.7999 8.8164 8.8592 8.8675 13.5984 13.6100 k = 0.5000-0.2021 0.4695 ( 1352 PWs) bands (ev): -0.7301 -0.7265 -0.6929 -0.6739 -0.3638 -0.3603 -0.3534 -0.3338 -0.2323 -0.2234 3.0639 3.0687 3.8622 3.8736 5.1949 5.2748 5.2860 5.3106 5.4022 5.4683 5.7999 5.8445 6.3208 6.3236 8.7326 8.7510 8.8058 8.8144 13.7124 13.7248 k = 0.5000-0.1925 0.4763 ( 1364 PWs) bands (ev): -0.7293 -0.7252 -0.6936 -0.6727 -0.3660 -0.3617 -0.3537 -0.3316 -0.2342 -0.2245 3.0635 3.0688 3.8836 3.8964 5.1819 5.2669 5.2788 5.3024 5.4006 5.4700 5.8291 5.8755 6.3109 6.3143 8.6614 8.6815 8.7504 8.7593 13.8359 13.8490 k = 0.5000-0.1828 0.4831 ( 1362 PWs) bands (ev): -0.7284 -0.7238 -0.6941 -0.6714 -0.3682 -0.3632 -0.3538 -0.3293 -0.2362 -0.2258 3.0632 3.0689 3.9071 3.9213 5.1691 5.2591 5.2714 5.2924 5.4002 5.4718 5.8603 5.9082 6.3002 6.3042 8.5871 8.6087 8.6938 8.7029 13.9682 13.9820 k = 0.5000-0.1732 0.4899 ( 1358 PWs) bands (ev): -0.7273 -0.7223 -0.6945 -0.6702 -0.3704 -0.3647 -0.3537 -0.3268 -0.2383 -0.2272 3.0629 3.0690 3.9325 3.9483 5.1561 5.2511 5.2635 5.2808 5.4006 5.4738 5.8933 5.9425 6.2887 6.2935 8.5103 8.5334 8.6367 8.6461 14.1085 14.1228 k = 0.5000-0.1636 0.4967 ( 1362 PWs) bands (ev): -0.7263 -0.7207 -0.6950 -0.6691 -0.3728 -0.3663 -0.3536 -0.3243 -0.2405 -0.2287 3.0626 3.0691 3.9597 3.9771 5.1429 5.2429 5.2551 5.2677 5.4014 5.4757 5.9278 5.9781 6.2764 6.2822 8.4318 8.4562 8.5798 8.5894 14.2562 14.2708 k = 0.5000-0.1540 0.5035 ( 1362 PWs) bands (ev): -0.7251 -0.7191 -0.6954 -0.6680 -0.3752 -0.3679 -0.3534 -0.3217 -0.2428 -0.2304 3.0623 3.0693 3.9885 4.0077 5.1295 5.2347 5.2464 5.2535 5.4025 5.4776 5.9636 6.0149 6.2635 6.2704 8.3522 8.3779 8.5239 8.5335 14.4105 14.4255 k = 0.5000-0.1443 0.5103 ( 1362 PWs) bands (ev): -0.7239 -0.7174 -0.6958 -0.6671 -0.3776 -0.3696 -0.3531 -0.3191 -0.2451 -0.2323 3.0620 3.0693 4.0190 4.0399 5.1158 5.2254 5.2374 5.2392 5.4039 5.4796 6.0005 6.0528 6.2502 6.2586 8.2721 8.2988 8.4694 8.4791 14.5709 14.5861 k = 0.5000-0.1347 0.5171 ( 1358 PWs) bands (ev): -0.7226 -0.7156 -0.6962 -0.6662 -0.3800 -0.3712 -0.3527 -0.3163 -0.2474 -0.2342 3.0617 3.0695 4.0508 4.0736 5.1017 5.2130 5.2270 5.2282 5.4053 5.4815 6.0381 6.0915 6.2370 6.2470 8.1919 8.2197 8.4168 8.4266 14.7368 14.7523 k = 0.5000-0.1251 0.5239 ( 1358 PWs) bands (ev): -0.7214 -0.7138 -0.6966 -0.6655 -0.3825 -0.3729 -0.3523 -0.3135 -0.2497 -0.2363 3.0615 3.0695 4.0838 4.1087 5.0870 5.1960 5.2182 5.2189 5.4068 5.4834 6.0754 6.1299 6.2247 6.2366 8.1121 8.1409 8.3666 8.3765 14.9078 14.9233 k = 0.5000-0.1155 0.5307 ( 1368 PWs) bands (ev): -0.7201 -0.7120 -0.6970 -0.6649 -0.3849 -0.3745 -0.3518 -0.3106 -0.2521 -0.2386 3.0612 3.0696 4.1178 4.1449 5.0714 5.1761 5.2096 5.2109 5.4082 5.4851 6.1106 6.1639 6.2174 6.2292 8.0333 8.0630 8.3192 8.3290 15.0832 15.0988 k = 0.5000-0.1058 0.5375 ( 1368 PWs) bands (ev): -0.7188 -0.7102 -0.6974 -0.6644 -0.3871 -0.3761 -0.3512 -0.3077 -0.2544 -0.2410 3.0609 3.0696 4.1526 4.1820 5.0552 5.1545 5.2007 5.2047 5.4097 5.4868 6.1389 6.1765 6.2297 6.2325 7.9558 7.9864 8.2748 8.2846 15.2625 15.2782 k = 0.5000-0.0962 0.5443 ( 1368 PWs) bands (ev): -0.7175 -0.7084 -0.6978 -0.6640 -0.3893 -0.3775 -0.3505 -0.3047 -0.2566 -0.2434 3.0607 3.0697 4.1880 4.2199 5.0380 5.1314 5.1921 5.1990 5.4111 5.4884 6.1523 6.1689 6.2459 6.2685 7.8802 7.9116 8.2337 8.2435 15.4451 15.4608 k = 0.5000-0.0866 0.5511 ( 1368 PWs) bands (ev): -0.7162 -0.7066 -0.6982 -0.6637 -0.3914 -0.3789 -0.3498 -0.3016 -0.2587 -0.2460 3.0605 3.0697 4.2235 4.2581 5.0198 5.1071 5.1841 5.1939 5.4124 5.4899 6.1520 6.1572 6.2766 6.3093 7.8070 7.8392 8.1961 8.2059 15.6303 15.6459 k = 0.5000-0.0770 0.5579 ( 1360 PWs) bands (ev): -0.7149 -0.7049 -0.6986 -0.6635 -0.3932 -0.3801 -0.3491 -0.2985 -0.2607 -0.2486 3.0604 3.0698 4.2588 4.2963 5.0008 5.0817 5.1769 5.1895 5.4136 5.4914 6.1450 6.1457 6.3140 6.3511 7.7367 7.7697 8.1623 8.1720 15.8173 15.8328 k = 0.5000-0.0674 0.5647 ( 1362 PWs) bands (ev): -0.7136 -0.7033 -0.6991 -0.6634 -0.3950 -0.3813 -0.3484 -0.2953 -0.2626 -0.2514 3.0602 3.0698 4.2934 4.3341 4.9811 5.0556 5.1703 5.1854 5.4147 5.4926 6.1334 6.1375 6.3531 6.3924 7.6702 7.7038 8.1322 8.1419 16.0048 16.0201 k = 0.5000-0.0577 0.5715 ( 1366 PWs) bands (ev): -0.7124 -0.7018 -0.6996 -0.6634 -0.3965 -0.3824 -0.3478 -0.2922 -0.2643 -0.2542 3.0601 3.0698 4.3268 4.3709 4.9610 5.0291 5.1644 5.1818 5.4156 5.4937 6.1227 6.1293 6.3920 6.4323 7.6081 7.6424 8.1060 8.1156 16.1911 16.2062 k = 0.5000-0.0481 0.5784 ( 1366 PWs) bands (ev): -0.7113 -0.7005 -0.7002 -0.6635 -0.3979 -0.3833 -0.3472 -0.2890 -0.2658 -0.2571 3.0600 3.0699 4.3581 4.4058 4.9412 5.0031 5.1595 5.1789 5.4164 5.4947 6.1132 6.1216 6.4291 6.4699 7.5517 7.5865 8.0838 8.0933 16.3738 16.3886 k = 0.5000-0.0385 0.5852 ( 1366 PWs) bands (ev): -0.7102 -0.7007 -0.6993 -0.6635 -0.3990 -0.3840 -0.3466 -0.2858 -0.2671 -0.2600 3.0599 3.0699 4.3864 4.4379 4.9225 4.9784 5.1555 5.1764 5.4171 5.4955 6.1052 6.1150 6.4629 6.5040 7.5021 7.5374 8.0655 8.0751 16.5488 16.5632 k = 0.5000-0.0289 0.5920 ( 1366 PWs) bands (ev): -0.7092 -0.7012 -0.6984 -0.6637 -0.3999 -0.3846 -0.3462 -0.2826 -0.2681 -0.2630 3.0598 3.0699 4.4107 4.4658 4.9058 4.9564 5.1523 5.1745 5.4176 5.4962 6.0988 6.1096 6.4918 6.5331 7.4608 7.4966 8.0514 8.0608 16.7096 16.7235 k = 0.5000-0.0192 0.5988 ( 1366 PWs) bands (ev): -0.7084 -0.7017 -0.6977 -0.6637 -0.4005 -0.3850 -0.3459 -0.2795 -0.2689 -0.2660 3.0597 3.0699 4.4295 4.4878 4.8925 4.9385 5.1501 5.1732 5.4180 5.4967 6.0941 6.1057 6.5143 6.5556 7.4296 7.4657 8.0412 8.0507 16.8452 16.8586 k = 0.5000-0.0096 0.6056 ( 1362 PWs) bands (ev): -0.7079 -0.7021 -0.6972 -0.6638 -0.4009 -0.3852 -0.3456 -0.2766 -0.2693 -0.2688 3.0597 3.0699 4.4415 4.5021 4.8838 4.9268 5.1487 5.1724 5.4184 5.4971 6.0913 6.1033 6.5286 6.5698 7.4101 7.4463 8.0351 8.0446 16.9395 16.9524 k = 0.5000-0.0000 0.6124 ( 1348 PWs) bands (ev): -0.7076 -0.7021 -0.6970 -0.6638 -0.4010 -0.3853 -0.3455 -0.2748 -0.2703 -0.2694 3.0598 3.0700 4.4457 4.5071 4.8810 4.9229 5.1485 5.1723 5.4187 5.4974 6.0904 6.1026 6.5336 6.5749 7.4035 7.4397 8.0331 8.0425 16.9739 16.9866 k = 0.5000-0.0000 0.6124 ( 1348 PWs) bands (ev): -0.7076 -0.7021 -0.6970 -0.6638 -0.4010 -0.3853 -0.3455 -0.2748 -0.2703 -0.2694 3.0598 3.0700 4.4457 4.5071 4.8810 4.9229 5.1485 5.1723 5.4187 5.4974 6.0904 6.1026 6.5336 6.5749 7.4035 7.4397 8.0331 8.0425 16.9739 16.9866 k = 0.4940 0.0103 0.6124 ( 1364 PWs) bands (ev): -0.7078 -0.7022 -0.6971 -0.6638 -0.4009 -0.3853 -0.3456 -0.2760 -0.2701 -0.2688 3.0587 3.0689 4.4438 4.5047 4.8811 4.9250 5.1476 5.1741 5.4180 5.4966 6.0876 6.1002 6.5319 6.5741 7.4042 7.4403 8.0425 8.0516 16.9396 16.9528 k = 0.4881 0.0206 0.6124 ( 1366 PWs) bands (ev): -0.7081 -0.7021 -0.6972 -0.6638 -0.4007 -0.3851 -0.3458 -0.2780 -0.2701 -0.2669 3.0558 3.0660 4.4382 4.4979 4.8828 4.9314 5.1462 5.1792 5.4170 5.4954 6.0808 6.0939 6.5264 6.5709 7.4042 7.4395 8.0723 8.0802 16.8321 16.8459 k = 0.4821 0.0309 0.6124 ( 1366 PWs) bands (ev): -0.7085 -0.7019 -0.6974 -0.6638 -0.4002 -0.3847 -0.3461 -0.2804 -0.2700 -0.2646 3.0516 3.0616 4.4293 4.4870 4.8865 4.9408 5.1453 5.1860 5.4155 5.4934 6.0712 6.0846 6.5172 6.5645 7.4011 7.4348 8.1236 8.1296 16.6677 16.6813 k = 0.4762 0.0412 0.6124 ( 1366 PWs) bands (ev): -0.7090 -0.7018 -0.6976 -0.6638 -0.3996 -0.3842 -0.3464 -0.2829 -0.2699 -0.2624 3.0461 3.0560 4.4177 4.4729 4.8927 4.9525 5.1454 5.1938 5.4133 5.4908 6.0597 6.0730 6.5046 6.5546 7.3939 7.4254 8.1953 8.1990 16.4701 16.4830 k = 0.4702 0.0515 0.6124 ( 1366 PWs) bands (ev): -0.7097 -0.7016 -0.6978 -0.6638 -0.3987 -0.3836 -0.3469 -0.2856 -0.2697 -0.2601 3.0398 3.0495 4.4038 4.4563 4.9012 4.9657 5.1465 5.2021 5.4107 5.4876 6.0468 6.0598 6.4894 6.5418 7.3828 7.4118 8.2844 8.2863 16.2551 16.2673 k = 0.4643 0.0619 0.6124 ( 1362 PWs) bands (ev): -0.7104 -0.7016 -0.6979 -0.6638 -0.3977 -0.3828 -0.3474 -0.2883 -0.2695 -0.2579 3.0328 3.0423 4.3884 4.4381 4.9116 4.9801 5.1488 5.2108 5.4076 5.4841 6.0328 6.0455 6.4726 6.5269 7.3687 7.3953 8.3872 8.3891 16.0316 16.0432 k = 0.4583 0.0722 0.6124 ( 1368 PWs) bands (ev): -0.7112 -0.7017 -0.6981 -0.6639 -0.3966 -0.3820 -0.3480 -0.2912 -0.2692 -0.2558 3.0254 3.0347 4.3718 4.4189 4.9236 4.9951 5.1519 5.2194 5.4040 5.4800 6.0180 6.0305 6.4548 6.5105 7.3529 7.3770 8.5009 8.5041 15.8050 15.8160 k = 0.4524 0.0825 0.6124 ( 1366 PWs) bands (ev): -0.7120 -0.7020 -0.6980 -0.6639 -0.3953 -0.3809 -0.3487 -0.2941 -0.2688 -0.2538 3.0178 3.0268 4.3548 4.3993 4.9369 5.0107 5.1559 5.2280 5.4001 5.4758 6.0024 6.0152 6.4367 6.4935 7.3362 7.3581 8.6233 8.6278 15.5787 15.5891 k = 0.4464 0.0928 0.6124 ( 1365 PWs) bands (ev): -0.7128 -0.7024 -0.6978 -0.6639 -0.3938 -0.3797 -0.3494 -0.2971 -0.2684 -0.2519 3.0101 3.0189 4.3376 4.3798 4.9511 5.0263 5.1606 5.2363 5.3959 5.4715 5.9862 5.9996 6.4189 6.4764 7.3194 7.3393 8.7522 8.7576 15.3551 15.3651 k = 0.4405 0.1031 0.6124 ( 1365 PWs) bands (ev): -0.7136 -0.7030 -0.6976 -0.6639 -0.3923 -0.3784 -0.3502 -0.3001 -0.2680 -0.2501 3.0025 3.0110 4.3207 4.3609 4.9658 5.0420 5.1658 5.2441 5.3914 5.4671 5.9696 5.9841 6.4016 6.4596 7.3032 7.3211 8.8853 8.8914 15.1363 15.1458 k = 0.4345 0.1134 0.6124 ( 1369 PWs) bands (ev): -0.7145 -0.7036 -0.6974 -0.6639 -0.3908 -0.3769 -0.3510 -0.3032 -0.2676 -0.2485 2.9951 3.0033 4.3044 4.3429 4.9808 5.0575 5.1711 5.2512 5.3867 5.4630 5.9528 5.9688 6.3853 6.4436 7.2878 7.3040 9.0205 9.0270 14.9240 14.9330 k = 0.4286 0.1237 0.6124 ( 1369 PWs) bands (ev): -0.7152 -0.7042 -0.6971 -0.6640 -0.3893 -0.3753 -0.3519 -0.3063 -0.2672 -0.2469 2.9881 2.9961 4.2890 4.3260 4.9959 5.0728 5.1766 5.2574 5.3820 5.4593 5.9362 5.9537 6.3702 6.4287 7.2736 7.2881 9.1557 9.1625 14.7200 14.7285 k = 0.4226 0.1340 0.6124 ( 1367 PWs) bands (ev): -0.7160 -0.7048 -0.6968 -0.6640 -0.3877 -0.3736 -0.3527 -0.3093 -0.2668 -0.2455 2.9816 2.9893 4.2747 4.3104 5.0109 5.0877 5.1818 5.2624 5.3773 5.4561 5.9201 5.9391 6.3564 6.4150 7.2608 7.2737 9.2887 9.2956 14.5262 14.5341 k = 0.4167 0.1443 0.6124 ( 1376 PWs) bands (ev): -0.7167 -0.7055 -0.6966 -0.6641 -0.3863 -0.3719 -0.3536 -0.3123 -0.2665 -0.2443 2.9756 2.9830 4.2616 4.2963 5.0251 5.1020 5.1865 5.2661 5.3727 5.4536 5.9047 5.9252 6.3441 6.4027 7.2494 7.2607 9.4172 9.4241 14.3447 14.3520 k = 0.4107 0.1546 0.6124 ( 1368 PWs) bands (ev): -0.7173 -0.7060 -0.6963 -0.6640 -0.3848 -0.3700 -0.3543 -0.3152 -0.2661 -0.2432 2.9702 2.9775 4.2501 4.2839 5.0387 5.1159 5.1906 5.2685 5.3688 5.4520 5.8904 5.9122 6.3334 6.3920 7.2396 7.2494 9.5386 9.5453 14.1779 14.1845 k = 0.4048 0.1650 0.6124 ( 1368 PWs) bands (ev): -0.7178 -0.7065 -0.6961 -0.6641 -0.3835 -0.3682 -0.3549 -0.3179 -0.2658 -0.2422 2.9656 2.9726 4.2401 4.2732 5.0511 5.1291 5.1936 5.2692 5.3654 5.4510 5.8776 5.9005 6.3243 6.3828 7.2313 7.2397 9.6499 9.6562 14.0286 14.0344 k = 0.3988 0.1753 0.6124 ( 1368 PWs) bands (ev): -0.7182 -0.7069 -0.6959 -0.6641 -0.3824 -0.3666 -0.3554 -0.3205 -0.2655 -0.2415 2.9618 2.9686 4.2318 4.2643 5.0619 5.1414 5.1955 5.2686 5.3627 5.4506 5.8665 5.8904 6.3168 6.3753 7.2246 7.2317 9.7478 9.7538 13.8999 13.9048 k = 0.3929 0.1856 0.6124 ( 1360 PWs) bands (ev): -0.7186 -0.7072 -0.6957 -0.6640 -0.3814 -0.3652 -0.3557 -0.3226 -0.2652 -0.2408 2.9587 2.9654 4.2253 4.2574 5.0710 5.1528 5.1961 5.2671 5.3609 5.4509 5.8575 5.8821 6.3111 6.3694 7.2195 7.2255 9.8291 9.8346 13.7951 13.7990 k = 0.3869 0.1959 0.6124 ( 1356 PWs) bands (ev): -0.7188 -0.7074 -0.6956 -0.6641 -0.3807 -0.3642 -0.3557 -0.3243 -0.2650 -0.2403 2.9565 2.9631 4.2206 4.2525 5.0778 5.1626 5.1954 5.2652 5.3598 5.4512 5.8509 5.8759 6.3069 6.3653 7.2160 7.2209 9.8902 9.8952 13.7175 13.7203 k = 0.3810 0.2062 0.6124 ( 1356 PWs) bands (ev): -0.7189 -0.7076 -0.6955 -0.6641 -0.3803 -0.3636 -0.3557 -0.3254 -0.2650 -0.2401 2.9552 2.9617 4.2178 4.2495 5.0820 5.1699 5.1938 5.2636 5.3591 5.4514 5.8468 5.8721 6.3044 6.3627 7.2139 7.2181 9.9283 9.9329 13.6698 13.6715 k = 0.3750 0.2165 0.6124 ( 1360 PWs) bands (ev): -0.7190 -0.7076 -0.6955 -0.6641 -0.3802 -0.3635 -0.3557 -0.3258 -0.2650 -0.2400 2.9548 2.9612 4.2168 4.2484 5.0833 5.1728 5.1927 5.2630 5.3588 5.4514 5.8454 5.8709 6.3036 6.3619 7.2132 7.2171 9.9412 9.9457 13.6538 13.6548 k = 0.3750 0.2165 0.6124 ( 1360 PWs) bands (ev): -0.7190 -0.7076 -0.6955 -0.6641 -0.3802 -0.3635 -0.3557 -0.3258 -0.2650 -0.2400 2.9548 2.9612 4.2168 4.2484 5.0833 5.1728 5.1927 5.2630 5.3588 5.4514 5.8454 5.8709 6.3036 6.3619 7.2132 7.2171 9.9412 9.9457 13.6538 13.6548 k = 0.3690 0.2130 0.6025 ( 1354 PWs) bands (ev): -0.7181 -0.7060 -0.6953 -0.6641 -0.3806 -0.3645 -0.3553 -0.3248 -0.2680 -0.2417 2.9316 2.9379 4.2515 4.2844 5.0747 5.1588 5.1821 5.2555 5.3517 5.4489 5.7839 5.8071 6.3531 6.4149 7.1844 7.1911 10.0189 10.0236 13.6975 13.6986 k = 0.3629 0.2095 0.5926 ( 1354 PWs) bands (ev): -0.7172 -0.7045 -0.6951 -0.6644 -0.3811 -0.3655 -0.3549 -0.3238 -0.2711 -0.2436 2.9047 2.9109 4.2858 4.3199 5.0657 5.1417 5.1714 5.2421 5.3443 5.4457 5.7258 5.7454 6.4045 6.4692 7.1678 7.1773 10.0994 10.1042 13.7433 13.7447 k = 0.3569 0.2060 0.5827 ( 1354 PWs) bands (ev): -0.7164 -0.7032 -0.6947 -0.6648 -0.3814 -0.3666 -0.3542 -0.3228 -0.2741 -0.2454 2.8739 2.8797 4.3197 4.3546 5.0560 5.1211 5.1608 5.2200 5.3376 5.4416 5.6745 5.6887 6.4577 6.5247 7.1628 7.1749 10.1825 10.1874 13.7915 13.7930 k = 0.3508 0.2025 0.5729 ( 1362 PWs) bands (ev): -0.7157 -0.7020 -0.6942 -0.6654 -0.3817 -0.3677 -0.3535 -0.3218 -0.2773 -0.2473 2.8386 2.8442 4.3529 4.3883 5.0444 5.0970 5.1495 5.1879 5.3323 5.4362 5.6327 5.6398 6.5126 6.5814 7.1685 7.1833 10.2682 10.2732 13.8419 13.8437 k = 0.3448 0.1990 0.5630 ( 1366 PWs) bands (ev): -0.7150 -0.7009 -0.6936 -0.6661 -0.3820 -0.3688 -0.3525 -0.3209 -0.2803 -0.2491 2.7988 2.8040 4.3854 4.4209 5.0276 5.0726 5.1329 5.1513 5.3287 5.4295 5.6004 5.6011 6.5695 6.6393 7.1845 7.2016 10.3563 10.3614 13.8947 13.8967 k = 0.3387 0.1956 0.5531 ( 1360 PWs) bands (ev): -0.7144 -0.7000 -0.6928 -0.6669 -0.3821 -0.3699 -0.3514 -0.3199 -0.2832 -0.2508 2.7541 2.7588 4.4170 4.4520 5.0003 5.0539 5.0897 5.1342 5.3263 5.4216 5.5711 5.5787 6.6284 6.6985 7.2101 7.2291 10.4469 10.4520 13.9499 13.9520 k = 0.3327 0.1921 0.5432 ( 1360 PWs) bands (ev): -0.7138 -0.6993 -0.6919 -0.6679 -0.3823 -0.3711 -0.3502 -0.3190 -0.2861 -0.2526 2.7043 2.7085 4.4474 4.4815 4.9628 5.0355 5.0415 5.1238 5.3245 5.4130 5.5509 5.5634 6.6895 6.7593 7.2447 7.2652 10.5397 10.5449 14.0074 14.0097 k = 0.3266 0.1886 0.5334 ( 1362 PWs) bands (ev): -0.7134 -0.6987 -0.6909 -0.6690 -0.3825 -0.3723 -0.3488 -0.3181 -0.2889 -0.2543 2.6492 2.6529 4.4768 4.5091 4.9204 4.9793 5.0321 5.1144 5.3230 5.4045 5.5376 5.5531 6.7533 6.8218 7.2880 7.3093 10.6347 10.6400 14.0673 14.0698 k = 0.3206 0.1851 0.5235 ( 1362 PWs) bands (ev): -0.7129 -0.6981 -0.6899 -0.6702 -0.3826 -0.3736 -0.3473 -0.3173 -0.2916 -0.2561 2.5890 2.5921 4.5048 4.5347 4.8767 4.9239 5.0240 5.1053 5.3215 5.3967 5.5293 5.5464 6.8200 6.8867 7.3391 7.3609 10.7317 10.7372 14.1296 14.1324 k = 0.3145 0.1816 0.5136 ( 1352 PWs) bands (ev): -0.7125 -0.6977 -0.6888 -0.6715 -0.3827 -0.3748 -0.3457 -0.3164 -0.2941 -0.2576 2.5237 2.5262 4.5318 4.5580 4.8343 4.8711 5.0171 5.0969 5.3201 5.3899 5.5242 5.5417 6.8902 6.9543 7.3977 7.4193 10.8309 10.8363 14.1944 14.1974 k = 0.3085 0.1781 0.5037 ( 1348 PWs) bands (ev): -0.7122 -0.6972 -0.6877 -0.6729 -0.3828 -0.3761 -0.3440 -0.3156 -0.2966 -0.2592 2.4535 2.4554 4.5574 4.5785 4.7950 4.8218 5.0105 5.0886 5.3185 5.3839 5.5210 5.5382 6.9640 7.0250 7.4631 7.4842 10.9319 10.9374 14.2616 14.2648 k = 0.3024 0.1746 0.4938 ( 1356 PWs) bands (ev): -0.7120 -0.6969 -0.6868 -0.6744 -0.3829 -0.3775 -0.3422 -0.3149 -0.2990 -0.2608 2.3786 2.3799 4.5816 4.5951 4.7606 4.7766 5.0043 5.0804 5.3166 5.3786 5.5188 5.5350 7.0417 7.0993 7.5346 7.5549 11.0347 11.0403 14.3313 14.3348 k = 0.2964 0.1711 0.4840 ( 1354 PWs) bands (ev): -0.7118 -0.6965 -0.6858 -0.6759 -0.3830 -0.3789 -0.3404 -0.3143 -0.3013 -0.2623 2.2995 2.3002 4.6046 4.6063 4.7337 4.7360 4.9986 5.0727 5.3147 5.3740 5.5171 5.5320 7.1237 7.1777 7.6119 7.6312 11.1392 11.1449 14.4035 14.4072 k = 0.2903 0.1676 0.4741 ( 1354 PWs) bands (ev): -0.7117 -0.6962 -0.6848 -0.6775 -0.3831 -0.3804 -0.3386 -0.3137 -0.3034 -0.2637 2.2166 2.2168 4.6092 4.6261 4.7002 4.7172 4.9934 5.0653 5.3128 5.3698 5.5156 5.5287 7.2101 7.2603 7.6945 7.7126 11.2453 11.2511 14.4782 14.4822 k = 0.2843 0.1641 0.4642 ( 1362 PWs) bands (ev): -0.7117 -0.6959 -0.6840 -0.6791 -0.3833 -0.3819 -0.3368 -0.3132 -0.3054 -0.2651 2.1299 2.1304 4.6026 4.6446 4.6704 4.7122 4.9885 5.0579 5.3107 5.3658 5.5139 5.5249 7.3009 7.3474 7.7820 7.7988 11.3529 11.3587 14.5554 14.5597 k = 0.2782 0.1606 0.4543 ( 1362 PWs) bands (ev): -0.7117 -0.6956 -0.6832 -0.6808 -0.3834 -0.3834 -0.3350 -0.3128 -0.3072 -0.2664 2.0403 2.0413 4.5899 4.6373 4.6697 4.7159 4.9841 5.0509 5.3086 5.3621 5.5120 5.5205 7.3964 7.4392 7.8741 7.8897 11.4620 11.4678 14.6351 14.6398 k = 0.2722 0.1571 0.4445 ( 1362 PWs) bands (ev): -0.7118 -0.6953 -0.6824 -0.6824 -0.3850 -0.3835 -0.3333 -0.3127 -0.3088 -0.2677 1.9484 1.9499 4.5753 4.6151 4.6868 4.7235 4.9801 5.0441 5.3066 5.3586 5.5096 5.5155 7.4964 7.5358 7.9705 7.9849 11.5722 11.5781 14.7174 14.7224 k = 0.2661 0.1536 0.4346 ( 1360 PWs) bands (ev): -0.7118 -0.6949 -0.6841 -0.6817 -0.3865 -0.3836 -0.3316 -0.3128 -0.3100 -0.2688 1.8546 1.8566 4.5614 4.5956 4.7038 4.7326 4.9765 5.0375 5.3047 5.3553 5.5068 5.5100 7.6010 7.6371 8.0710 8.0843 11.6836 11.6896 14.8022 14.8075 k = 0.2601 0.1502 0.4247 ( 1364 PWs) bands (ev): -0.7120 -0.6947 -0.6857 -0.6811 -0.3882 -0.3837 -0.3300 -0.3137 -0.3105 -0.2699 1.7595 1.7619 4.5491 4.5793 4.7200 4.7417 4.9733 5.0311 5.3029 5.3521 5.5032 5.5035 7.7101 7.7430 8.1755 8.1878 11.7960 11.8021 14.8895 14.8952 k = 0.2540 0.1467 0.4148 ( 1360 PWs) bands (ev): -0.7122 -0.6943 -0.6873 -0.6805 -0.3898 -0.3838 -0.3285 -0.3148 -0.3106 -0.2709 1.6634 1.6663 4.5390 4.5661 4.7352 4.7504 4.9705 5.0249 5.3012 5.3491 5.4967 5.4993 7.8235 7.8536 8.2839 8.2951 11.9093 11.9154 14.9794 14.9854 k = 0.2480 0.1432 0.4050 ( 1360 PWs) bands (ev): -0.7124 -0.6940 -0.6889 -0.6801 -0.3914 -0.3839 -0.3271 -0.3160 -0.3106 -0.2719 1.5668 1.5702 4.5309 4.5557 4.7494 4.7583 4.9679 5.0187 5.2997 5.3462 5.4893 5.4950 7.9412 7.9687 8.3959 8.4062 12.0233 12.0294 15.0717 15.0782 k = 0.2419 0.1397 0.3951 ( 1360 PWs) bands (ev): -0.7126 -0.6937 -0.6905 -0.6796 -0.3930 -0.3840 -0.3258 -0.3172 -0.3106 -0.2728 1.4700 1.4738 4.5249 4.5478 4.7626 4.7654 4.9657 5.0126 5.2983 5.3435 5.4815 5.4902 8.0632 8.0881 8.5116 8.5210 12.1378 12.1440 15.1665 15.1734 k = 0.2359 0.1362 0.3852 ( 1356 PWs) bands (ev): -0.7128 -0.6933 -0.6920 -0.6792 -0.3946 -0.3840 -0.3246 -0.3184 -0.3106 -0.2737 1.3735 1.3777 4.5208 4.5423 4.7716 4.7748 4.9637 5.0067 5.2973 5.3410 5.4735 5.4852 8.1891 8.2118 8.6309 8.6395 12.2526 12.2589 15.2637 15.2711 k = 0.2298 0.1327 0.3753 ( 1360 PWs) bands (ev): -0.7131 -0.6935 -0.6930 -0.6790 -0.3962 -0.3842 -0.3236 -0.3195 -0.3108 -0.2745 1.2773 1.2820 4.5185 4.5387 4.7768 4.7858 4.9618 5.0007 5.2963 5.3386 5.4651 5.4799 8.3191 8.3396 8.7536 8.7615 12.3676 12.3740 15.3632 15.3712 k = 0.2238 0.1292 0.3654 ( 1366 PWs) bands (ev): -0.7135 -0.6949 -0.6928 -0.6788 -0.3979 -0.3843 -0.3227 -0.3207 -0.3109 -0.2753 1.1819 1.1870 4.5177 4.5369 4.7811 4.7960 4.9601 4.9947 5.2956 5.3365 5.4564 5.4742 8.4528 8.4714 8.8798 8.8869 12.4827 12.4891 15.4651 15.4737 k = 0.2177 0.1257 0.3556 ( 1358 PWs) bands (ev): -0.7137 -0.6963 -0.6925 -0.6785 -0.3994 -0.3843 -0.3219 -0.3216 -0.3111 -0.2760 1.0875 1.0931 4.5185 4.5369 4.7846 4.8052 4.9585 4.9890 5.2954 5.3347 5.4480 5.4687 8.5902 8.6071 9.0094 9.0159 12.5974 12.6039 15.5692 15.5784 k = 0.2117 0.1222 0.3457 ( 1358 PWs) bands (ev): -0.7140 -0.6976 -0.6922 -0.6784 -0.4010 -0.3844 -0.3226 -0.3213 -0.3114 -0.2767 0.9943 1.0003 4.5206 4.5383 4.7873 4.8133 4.9569 4.9832 5.2953 5.3332 5.4395 5.4630 8.7313 8.7464 9.1424 9.1481 12.7117 12.7182 15.6754 15.6853 k = 0.2056 0.1187 0.3358 ( 1364 PWs) bands (ev): -0.7144 -0.6988 -0.6920 -0.6784 -0.4026 -0.3846 -0.3235 -0.3208 -0.3117 -0.2775 0.9025 0.9090 4.5238 4.5409 4.7891 4.8203 4.9551 4.9775 5.2955 5.3318 5.4308 5.4571 8.8758 8.8894 9.2786 9.2838 12.8252 12.8318 15.7836 15.7943 k = 0.1996 0.1152 0.3259 ( 1362 PWs) bands (ev): -0.7147 -0.6999 -0.6917 -0.6784 -0.4042 -0.3847 -0.3244 -0.3203 -0.3121 -0.2782 0.8123 0.8193 4.5282 4.5447 4.7903 4.8263 4.9532 4.9718 5.2961 5.3309 5.4227 5.4515 9.0238 9.0359 9.4181 9.4227 12.9378 12.9444 15.8935 15.9051 k = 0.1935 0.1117 0.3161 ( 1362 PWs) bands (ev): -0.7150 -0.7010 -0.6915 -0.6784 -0.4057 -0.3848 -0.3252 -0.3200 -0.3125 -0.2789 0.7238 0.7314 4.5334 4.5496 4.7909 4.8313 4.9510 4.9661 5.2970 5.3303 5.4149 5.4461 9.1750 9.1858 9.5609 9.5648 13.0491 13.0557 16.0049 16.0176 k = 0.1875 0.1083 0.3062 ( 1358 PWs) bands (ev): -0.7153 -0.7020 -0.6913 -0.6784 -0.4073 -0.3848 -0.3260 -0.3198 -0.3129 -0.2797 0.6372 0.6454 4.5395 4.5553 4.7909 4.8352 4.9487 4.9605 5.2981 5.3301 5.4075 5.4409 9.3294 9.3389 9.7068 9.7102 13.1588 13.1655 16.1175 16.1314 k = 0.1815 0.1048 0.2963 ( 1366 PWs) bands (ev): -0.7156 -0.7029 -0.6912 -0.6786 -0.4089 -0.3850 -0.3269 -0.3198 -0.3135 -0.2805 0.5526 0.5615 4.5462 4.5618 4.7902 4.8380 4.9458 4.9548 5.2995 5.3300 5.4003 5.4358 9.4869 9.4952 9.8559 9.8587 13.2666 13.2733 16.2308 16.2461 k = 0.1754 0.1013 0.2864 ( 1366 PWs) bands (ev): -0.7159 -0.7037 -0.6910 -0.6788 -0.4106 -0.3851 -0.3276 -0.3198 -0.3140 -0.2814 0.4701 0.4798 4.5536 4.5690 4.7892 4.8398 4.9427 4.9493 5.3012 5.3304 5.3938 5.4310 9.6475 9.6545 10.0081 10.0103 13.3722 13.3790 16.3440 16.3611 k = 0.1694 0.0978 0.2766 ( 1366 PWs) bands (ev): -0.7163 -0.7044 -0.6909 -0.6790 -0.4122 -0.3852 -0.3284 -0.3200 -0.3145 -0.2823 0.3899 0.4004 4.5616 4.5767 4.7878 4.8406 4.9393 4.9438 5.3032 5.3312 5.3878 5.4265 9.8110 9.8169 10.1633 10.1649 13.4752 13.4821 16.4561 16.4754 k = 0.1633 0.0943 0.2667 ( 1370 PWs) bands (ev): -0.7166 -0.7051 -0.6909 -0.6793 -0.4140 -0.3854 -0.3292 -0.3202 -0.3151 -0.2833 0.3121 0.3235 4.5699 4.5849 4.7860 4.8404 4.9354 4.9382 5.3054 5.3321 5.3823 5.4223 9.9773 9.9821 10.3215 10.3225 13.5754 13.5823 16.5655 16.5875 k = 0.1573 0.0908 0.2568 ( 1370 PWs) bands (ev): -0.7169 -0.7056 -0.6909 -0.6796 -0.4159 -0.3855 -0.3300 -0.3206 -0.3156 -0.2843 0.2367 0.2492 4.5787 4.5935 4.7839 4.8393 4.9313 4.9328 5.3078 5.3335 5.3775 5.4184 10.1464 10.1501 10.4826 10.4830 13.6724 13.6793 16.6695 16.6948 k = 0.1512 0.0873 0.2469 ( 1370 PWs) bands (ev): -0.7172 -0.7061 -0.6909 -0.6800 -0.4180 -0.3857 -0.3308 -0.3211 -0.3161 -0.2854 0.1638 0.1776 4.5877 4.6024 4.7815 4.8375 4.9268 4.9274 5.3105 5.3351 5.3733 5.4148 10.3182 10.3209 10.6463 10.6466 13.7659 13.7727 16.7634 16.7931 k = 0.1452 0.0838 0.2370 ( 1370 PWs) bands (ev): -0.7175 -0.7064 -0.6910 -0.6804 -0.4204 -0.3859 -0.3317 -0.3219 -0.3166 -0.2866 0.0937 0.1090 4.5970 4.6115 4.7790 4.8349 4.9220 4.9221 5.3133 5.3369 5.3697 5.4116 10.4926 10.4943 10.8124 10.8133 13.8555 13.8623 16.7416 16.7440 k = 0.1391 0.0803 0.2272 ( 1369 PWs) bands (ev): -0.7177 -0.7067 -0.6912 -0.6808 -0.4231 -0.3861 -0.3326 -0.3229 -0.3172 -0.2879 0.0265 0.0434 4.6063 4.6207 4.7762 4.8316 4.9166 4.9172 5.3163 5.3389 5.3667 5.4087 10.6696 10.6702 10.9812 10.9828 13.9410 13.9478 16.6691 16.6711 k = 0.1331 0.0768 0.2173 ( 1369 PWs) bands (ev): -0.7180 -0.7068 -0.6914 -0.6812 -0.4264 -0.3863 -0.3337 -0.3244 -0.3177 -0.2894 -0.0377 -0.0187 4.6158 4.6300 4.7733 4.8278 4.9112 4.9120 5.3195 5.3412 5.3643 5.4060 10.8486 10.8490 11.1525 11.1548 14.0221 14.0289 16.5993 16.6011 k = 0.1270 0.0733 0.2074 ( 1371 PWs) bands (ev): -0.7183 -0.7070 -0.6916 -0.6818 -0.4305 -0.3865 -0.3349 -0.3266 -0.3182 -0.2909 -0.0984 -0.0770 4.6252 4.6393 4.7703 4.8235 4.9058 4.9068 5.3226 5.3435 5.3624 5.4036 11.0295 11.0309 11.3262 11.3293 14.0987 14.1054 16.5322 16.5340 k = 0.1210 0.0698 0.1975 ( 1375 PWs) bands (ev): -0.7186 -0.7070 -0.6920 -0.6823 -0.4359 -0.3869 -0.3365 -0.3302 -0.3187 -0.2927 -0.1548 -0.1311 4.6344 4.6483 4.7672 4.8188 4.9004 4.9015 5.3259 5.3459 5.3609 5.4014 11.2126 11.2150 11.5023 11.5062 14.1706 14.1771 16.4681 16.4697 k = 0.1149 0.0663 0.1877 ( 1371 PWs) bands (ev): -0.7188 -0.7069 -0.6923 -0.6829 -0.4431 -0.3873 -0.3384 -0.3365 -0.3191 -0.2946 -0.2053 -0.1799 4.6436 4.6573 4.7641 4.8139 4.8952 4.8963 5.3293 5.3485 5.3602 5.3996 11.3979 11.4013 11.6806 11.6853 14.2376 14.2440 16.4068 16.4084 k = 0.1089 0.0629 0.1778 ( 1371 PWs) bands (ev): -0.7191 -0.7068 -0.6928 -0.6835 -0.4529 -0.3880 -0.3488 -0.3411 -0.3195 -0.2971 -0.2464 -0.2223 4.6526 4.6661 4.7610 4.8088 4.8901 4.8911 5.3327 5.3511 5.3597 5.3979 11.5853 11.5898 11.8608 11.8665 14.2997 14.3060 16.3485 16.3500 k = 0.1028 0.0594 0.1679 ( 1371 PWs) bands (ev): -0.7194 -0.7066 -0.6934 -0.6841 -0.4666 -0.3908 -0.3702 -0.3451 -0.3199 -0.3001 -0.2730 -0.2568 4.6613 4.6745 4.7579 4.8035 4.8851 4.8861 5.3360 5.3537 5.3596 5.3963 11.7748 11.7802 12.0430 12.0495 14.3570 14.3632 16.2932 16.2945 k = 0.0968 0.0559 0.1580 ( 1367 PWs) bands (ev): -0.7197 -0.7063 -0.6940 -0.6847 -0.4849 -0.4116 -0.3839 -0.3506 -0.3203 -0.3035 -0.2860 -0.2820 4.6697 4.6826 4.7548 4.7981 4.8804 4.8813 5.3396 5.3564 5.3599 5.3951 11.9661 11.9725 12.2267 12.2341 14.4095 14.4154 16.2409 16.2421 k = 0.0907 0.0524 0.1482 ( 1367 PWs) bands (ev): -0.7201 -0.7060 -0.6948 -0.6854 -0.5079 -0.4484 -0.3859 -0.3575 -0.3207 -0.3066 -0.2982 -0.2920 4.6777 4.6902 4.7519 4.7927 4.8759 4.8767 5.3429 5.3589 5.3604 5.3938 12.1592 12.1666 12.4118 12.4202 14.4573 14.4630 16.1916 16.1927 k = 0.0847 0.0489 0.1383 ( 1371 PWs) bands (ev): -0.7207 -0.7057 -0.6958 -0.6862 -0.5344 -0.4869 -0.3866 -0.3645 -0.3211 -0.3089 -0.3074 -0.2956 4.6851 4.6972 4.7490 4.7873 4.8717 4.8724 5.3460 5.3612 5.3613 5.3926 12.3538 12.3622 12.5980 12.6074 14.5005 14.5061 16.1453 16.1463 k = 0.0786 0.0454 0.1284 ( 1363 PWs) bands (ev): -0.7213 -0.7052 -0.6969 -0.6869 -0.5627 -0.5240 -0.3870 -0.3706 -0.3215 -0.3125 -0.3105 -0.2981 4.6923 4.7039 4.7463 4.7820 4.8680 4.8686 5.3494 5.3623 5.3638 5.3917 12.5497 12.5591 12.7849 12.7954 14.5395 14.5448 16.1021 16.1029 k = 0.0726 0.0419 0.1185 ( 1375 PWs) bands (ev): -0.7223 -0.7048 -0.6985 -0.6877 -0.5911 -0.5588 -0.3874 -0.3755 -0.3220 -0.3154 -0.3119 -0.3003 4.6985 4.7096 4.7437 4.7767 4.8644 4.8650 5.3522 5.3633 5.3659 5.3906 12.7467 12.7571 12.9722 12.9838 14.5743 14.5794 16.0620 16.0627 k = 0.0665 0.0384 0.1086 ( 1373 PWs) bands (ev): -0.7238 -0.7044 -0.7006 -0.6885 -0.6183 -0.5907 -0.3876 -0.3792 -0.3223 -0.3170 -0.3129 -0.3023 4.7045 4.7149 4.7414 4.7716 4.8615 4.8620 5.3551 5.3647 5.3680 5.3896 12.9444 12.9558 13.1595 13.1722 14.6054 14.6102 16.0250 16.0255 k = 0.0605 0.0349 0.0988 ( 1377 PWs) bands (ev): -0.7261 -0.7039 -0.7038 -0.6893 -0.6429 -0.6191 -0.3879 -0.3820 -0.3226 -0.3180 -0.3137 -0.3041 4.7096 4.7194 4.7392 4.7668 4.8589 4.8593 5.3579 5.3661 5.3699 5.3887 13.1423 13.1546 13.3461 13.3599 14.6329 14.6374 15.9911 15.9914 k = 0.0544 0.0314 0.0889 ( 1383 PWs) bands (ev): -0.7297 -0.7097 -0.7033 -0.6901 -0.6631 -0.6434 -0.3882 -0.3841 -0.3228 -0.3186 -0.3144 -0.3059 4.7142 4.7233 4.7373 4.7621 4.8567 4.8571 5.3604 5.3675 5.3716 5.3877 13.3398 13.3530 13.5314 13.5463 14.6571 14.6614 15.9603 15.9604 k = 0.0484 0.0279 0.0790 ( 1383 PWs) bands (ev): -0.7353 -0.7197 -0.7027 -0.6910 -0.6770 -0.6628 -0.3884 -0.3857 -0.3228 -0.3189 -0.3150 -0.3075 4.7183 4.7265 4.7357 4.7577 4.8551 4.8554 5.3628 5.3690 5.3732 5.3868 13.5361 13.5500 13.7147 13.7304 14.6785 14.6825 15.9325 15.9326 k = 0.0423 0.0244 0.0691 ( 1383 PWs) bands (ev): -0.7433 -0.7333 -0.7020 -0.6918 -0.6847 -0.6768 -0.3887 -0.3869 -0.3226 -0.3190 -0.3155 -0.3091 4.7218 4.7292 4.7344 4.7536 4.8538 4.8540 5.3651 5.3705 5.3745 5.3858 13.7297 13.7441 13.8949 13.9113 14.6973 14.7011 15.9075 15.9079 k = 0.0363 0.0210 0.0593 ( 1383 PWs) bands (ev): -0.7534 -0.7480 -0.7014 -0.6927 -0.6888 -0.6858 -0.3889 -0.3878 -0.3223 -0.3191 -0.3160 -0.3106 4.7248 4.7312 4.7335 4.7498 4.8529 4.8530 5.3673 5.3719 5.3757 5.3848 13.9188 13.9330 14.0709 14.0873 14.7142 14.7176 15.8855 15.8862 k = 0.0302 0.0175 0.0494 ( 1375 PWs) bands (ev): -0.7642 -0.7616 -0.7007 -0.6935 -0.6912 -0.6911 -0.3890 -0.3884 -0.3219 -0.3190 -0.3164 -0.3120 4.7273 4.7329 4.7330 4.7465 4.8523 4.8524 5.3694 5.3734 5.3767 5.3840 14.0999 14.1131 14.2413 14.2567 14.7296 14.7329 15.8660 15.8671 k = 0.0242 0.0140 0.0395 ( 1371 PWs) bands (ev): -0.7744 -0.7732 -0.6999 -0.6944 -0.6941 -0.6928 -0.3892 -0.3889 -0.3213 -0.3189 -0.3168 -0.3134 4.7293 4.7328 4.7339 4.7434 4.8520 4.8520 5.3714 5.3747 5.3775 5.3829 14.2676 14.2781 14.4042 14.4169 14.7450 14.7479 15.8484 15.8501 k = 0.0181 0.0105 0.0296 ( 1371 PWs) bands (ev): -0.7829 -0.7824 -0.6992 -0.6958 -0.6952 -0.6940 -0.3893 -0.3892 -0.3207 -0.3187 -0.3171 -0.3147 4.7308 4.7329 4.7346 4.7407 4.8517 4.8517 5.3732 5.3758 5.3780 5.3818 14.4127 14.4190 14.5559 14.5640 14.7621 14.7647 15.8307 15.8332 k = 0.0121 0.0070 0.0198 ( 1363 PWs) bands (ev): -0.7892 -0.7891 -0.6984 -0.6966 -0.6959 -0.6950 -0.3894 -0.3894 -0.3198 -0.3185 -0.3174 -0.3158 4.7321 4.7335 4.7350 4.7383 4.8516 4.8516 5.3750 5.3768 5.3783 5.3807 14.5221 14.5243 14.6875 14.6907 14.7834 14.7852 15.8080 15.8108 k = 0.0060 0.0035 0.0099 ( 1363 PWs) bands (ev): -0.7931 -0.7931 -0.6976 -0.6969 -0.6964 -0.6959 -0.3895 -0.3895 -0.3190 -0.3183 -0.3177 -0.3170 4.7333 4.7341 4.7349 4.7363 4.8516 4.8516 5.3765 5.3775 5.3783 5.3794 14.5854 14.5857 14.7819 14.7823 14.8061 14.8069 15.7773 15.7782 k = 0.0000 0.0000 0.0000 ( 1363 PWs) bands (ev): -0.7945 -0.7945 -0.6968 -0.6968 -0.6968 -0.6968 -0.3895 -0.3895 -0.3180 -0.3180 -0.3180 -0.3180 4.7346 4.7346 4.7346 4.7346 4.8515 4.8515 5.3780 5.3780 5.3780 5.3780 14.6050 14.6050 14.8170 14.8170 14.8170 14.8170 15.7603 15.7603 k = 0.0000 0.0000 0.0000 ( 1363 PWs) bands (ev): -0.7945 -0.7945 -0.6968 -0.6968 -0.6968 -0.6968 -0.3895 -0.3895 -0.3180 -0.3180 -0.3180 -0.3180 4.7346 4.7346 4.7346 4.7346 4.8515 4.8515 5.3780 5.3780 5.3780 5.3780 14.6050 14.6050 14.8170 14.8170 14.8170 14.8170 15.7603 15.7603 k = 0.0098 0.0057 0.0040 ( 1363 PWs) bands (ev): -0.7932 -0.7932 -0.6976 -0.6966 -0.6966 -0.6959 -0.3895 -0.3895 -0.3190 -0.3180 -0.3180 -0.3169 4.7333 4.7345 4.7345 4.7364 4.8516 4.8516 5.3765 5.3779 5.3779 5.3794 14.5856 14.5856 14.7825 14.7825 14.8067 14.8074 15.7782 15.7782 k = 0.0196 0.0113 0.0080 ( 1363 PWs) bands (ev): -0.7892 -0.7892 -0.6985 -0.6962 -0.6962 -0.6950 -0.3894 -0.3894 -0.3199 -0.3180 -0.3180 -0.3158 4.7322 4.7341 4.7341 4.7384 4.8516 4.8516 5.3749 5.3775 5.3775 5.3808 14.5174 14.5174 14.7042 14.7042 14.7777 14.7790 15.8205 15.8205 k = 0.0294 0.0170 0.0120 ( 1369 PWs) bands (ev): -0.7828 -0.7828 -0.6993 -0.6954 -0.6954 -0.6941 -0.3893 -0.3893 -0.3207 -0.3179 -0.3179 -0.3146 4.7315 4.7334 4.7334 4.7408 4.8517 4.8517 5.3732 5.3769 5.3769 5.3819 14.3848 14.3848 14.6263 14.6263 14.7331 14.7348 15.8747 15.8747 k = 0.0392 0.0226 0.0160 ( 1375 PWs) bands (ev): -0.7741 -0.7741 -0.7001 -0.6940 -0.6940 -0.6933 -0.3891 -0.3891 -0.3214 -0.3179 -0.3179 -0.3133 4.7311 4.7323 4.7323 4.7435 4.8519 4.8519 5.3714 5.3760 5.3760 5.3830 14.2027 14.2027 14.5566 14.5566 14.6763 14.6785 15.9383 15.9383 k = 0.0490 0.0283 0.0200 ( 1375 PWs) bands (ev): -0.7634 -0.7634 -0.7008 -0.6924 -0.6917 -0.6917 -0.3887 -0.3887 -0.3220 -0.3177 -0.3177 -0.3119 4.7310 4.7310 4.7311 4.7465 4.8523 4.8523 5.3696 5.3749 5.3749 5.3842 13.9940 13.9940 14.4867 14.4867 14.6108 14.6134 16.0100 16.0100 k = 0.0588 0.0340 0.0240 ( 1381 PWs) bands (ev): -0.7515 -0.7515 -0.7015 -0.6915 -0.6878 -0.6878 -0.3883 -0.3883 -0.3225 -0.3176 -0.3176 -0.3104 4.7291 4.7291 4.7313 4.7498 4.8529 4.8529 5.3677 5.3736 5.3736 5.3852 13.7705 13.7705 14.4141 14.4141 14.5393 14.5422 16.0873 16.0873 k = 0.0686 0.0396 0.0280 ( 1381 PWs) bands (ev): -0.7397 -0.7397 -0.7022 -0.6906 -0.6810 -0.6810 -0.3878 -0.3878 -0.3228 -0.3173 -0.3173 -0.3088 4.7268 4.7268 4.7319 4.7534 4.8538 4.8538 5.3659 5.3722 5.3722 5.3862 13.5383 13.5383 14.3386 14.3386 14.4637 14.4669 16.1585 16.1585 k = 0.0784 0.0453 0.0320 ( 1381 PWs) bands (ev): -0.7296 -0.7296 -0.7028 -0.6897 -0.6697 -0.6697 -0.3870 -0.3870 -0.3230 -0.3170 -0.3170 -0.3072 4.7240 4.7240 4.7329 4.7573 4.8550 4.8550 5.3641 5.3705 5.3705 5.3872 13.3007 13.3007 14.2609 14.2609 14.3855 14.3890 16.1761 16.1761 k = 0.0882 0.0509 0.0360 ( 1375 PWs) bands (ev): -0.7225 -0.7225 -0.7034 -0.6888 -0.6529 -0.6529 -0.3860 -0.3860 -0.3231 -0.3165 -0.3165 -0.3055 4.7208 4.7208 4.7341 4.7615 4.8567 4.8567 5.3623 5.3688 5.3688 5.3882 13.0598 13.0598 14.1819 14.1819 14.3058 14.3095 16.1757 16.1757 k = 0.0980 0.0566 0.0400 ( 1375 PWs) bands (ev): -0.7180 -0.7180 -0.7039 -0.6879 -0.6309 -0.6309 -0.3848 -0.3848 -0.3231 -0.3159 -0.3159 -0.3038 4.7167 4.7167 4.7355 4.7658 4.8587 4.8587 5.3605 5.3668 5.3668 5.3892 12.8169 12.8169 14.1021 14.1021 14.2253 14.2293 16.1681 16.1681 k = 0.1078 0.0623 0.0440 ( 1384 PWs) bands (ev): -0.7153 -0.7153 -0.7045 -0.6871 -0.6050 -0.6050 -0.3831 -0.3831 -0.3229 -0.3151 -0.3151 -0.3021 4.7117 4.7117 4.7372 4.7703 4.8611 4.8611 5.3587 5.3647 5.3647 5.3901 12.5730 12.5730 14.0220 14.0220 14.1446 14.1488 16.1557 16.1557 k = 0.1176 0.0679 0.0480 ( 1378 PWs) bands (ev): -0.7136 -0.7136 -0.7049 -0.6863 -0.5761 -0.5761 -0.3808 -0.3808 -0.3226 -0.3137 -0.3137 -0.3002 4.7063 4.7063 4.7391 4.7750 4.8640 4.8640 5.3572 5.3626 5.3626 5.3912 12.3290 12.3290 13.9421 13.9421 14.0642 14.0685 16.1402 16.1402 k = 0.1275 0.0736 0.0520 ( 1372 PWs) bands (ev): -0.7124 -0.7124 -0.7053 -0.6855 -0.5454 -0.5454 -0.3775 -0.3775 -0.3222 -0.3117 -0.3117 -0.2984 4.7004 4.7004 4.7413 4.7799 4.8674 4.8674 5.3557 5.3604 5.3604 5.3923 12.0854 12.0854 13.8626 13.8626 13.9843 13.9888 16.1225 16.1225 k = 0.1373 0.0792 0.0560 ( 1372 PWs) bands (ev): -0.7117 -0.7117 -0.7056 -0.6847 -0.5140 -0.5140 -0.3728 -0.3728 -0.3216 -0.3085 -0.3085 -0.2965 4.6935 4.6935 4.7436 4.7848 4.8712 4.8712 5.3543 5.3581 5.3581 5.3933 11.8426 11.8426 13.7838 13.7838 13.9052 13.9099 16.1033 16.1033 k = 0.1471 0.0849 0.0600 ( 1372 PWs) bands (ev): -0.7112 -0.7112 -0.7059 -0.6840 -0.4841 -0.4841 -0.3661 -0.3661 -0.3210 -0.3028 -0.3028 -0.2946 4.6860 4.6860 4.7460 4.7897 4.8753 4.8753 5.3530 5.3557 5.3557 5.3945 11.6010 11.6010 13.7060 13.7060 13.8271 13.8320 16.0833 16.0833 k = 0.1569 0.0906 0.0640 ( 1369 PWs) bands (ev): -0.7109 -0.7109 -0.7061 -0.6833 -0.4583 -0.4583 -0.3573 -0.3573 -0.3203 -0.2927 -0.2921 -0.2921 4.6778 4.6778 4.7488 4.7948 4.8800 4.8800 5.3519 5.3532 5.3532 5.3957 11.3609 11.3609 13.6293 13.6293 13.7503 13.7553 16.0629 16.0629 k = 0.1667 0.0962 0.0680 ( 1369 PWs) bands (ev): -0.7108 -0.7108 -0.7063 -0.6826 -0.4390 -0.4390 -0.3482 -0.3482 -0.3194 -0.2908 -0.2722 -0.2722 4.6690 4.6690 4.7514 4.7997 4.8848 4.8848 5.3509 5.3509 5.3511 5.3970 11.1225 11.1225 13.5537 13.5537 13.6747 13.6798 16.0425 16.0425 k = 0.1765 0.1019 0.0720 ( 1369 PWs) bands (ev): -0.7107 -0.7107 -0.7065 -0.6820 -0.4261 -0.4261 -0.3413 -0.3413 -0.3184 -0.2889 -0.2407 -0.2407 4.6597 4.6597 4.7542 4.8046 4.8898 4.8898 5.3486 5.3486 5.3505 5.3984 10.8862 10.8862 13.4795 13.4795 13.6006 13.6058 16.0222 16.0222 k = 0.1863 0.1075 0.0760 ( 1369 PWs) bands (ev): -0.7108 -0.7108 -0.7065 -0.6814 -0.4180 -0.4180 -0.3370 -0.3370 -0.3173 -0.2870 -0.1992 -0.1992 4.6497 4.6497 4.7571 4.8094 4.8952 4.8952 5.3462 5.3462 5.3501 5.3999 10.6520 10.6520 13.4068 13.4068 13.5279 13.5333 16.0024 16.0024 k = 0.1961 0.1132 0.0800 ( 1369 PWs) bands (ev): -0.7109 -0.7109 -0.7066 -0.6809 -0.4126 -0.4126 -0.3344 -0.3344 -0.3161 -0.2852 -0.1503 -0.1503 4.6393 4.6393 4.7600 4.8140 4.9006 4.9006 5.3441 5.3441 5.3501 5.4015 10.4203 10.4203 13.3356 13.3356 13.4569 13.4623 15.9832 15.9832 k = 0.2059 0.1189 0.0841 ( 1369 PWs) bands (ev): -0.7110 -0.7110 -0.7065 -0.6804 -0.4089 -0.4089 -0.3328 -0.3328 -0.3149 -0.2833 -0.0961 -0.0961 4.6283 4.6283 4.7628 4.8184 4.9061 4.9061 5.3422 5.3422 5.3505 5.4034 10.1911 10.1911 13.2660 13.2660 13.3875 13.3930 15.9648 15.9648 k = 0.2157 0.1245 0.0881 ( 1369 PWs) bands (ev): -0.7113 -0.7113 -0.7065 -0.6800 -0.4061 -0.4061 -0.3318 -0.3318 -0.3135 -0.2815 -0.0377 -0.0377 4.6169 4.6169 4.7657 4.8225 4.9116 4.9116 5.3404 5.3404 5.3512 5.4054 9.9647 9.9647 13.1980 13.1980 13.3199 13.3254 15.9471 15.9471 k = 0.2255 0.1302 0.0921 ( 1375 PWs) bands (ev): -0.7116 -0.7116 -0.7064 -0.6797 -0.4039 -0.4039 -0.3312 -0.3312 -0.3120 -0.2797 0.0243 0.0243 4.6050 4.6050 4.7684 4.8263 4.9170 4.9170 5.3387 5.3387 5.3522 5.4074 9.7412 9.7412 13.1318 13.1318 13.2540 13.2596 15.9304 15.9304 k = 0.2353 0.1358 0.0961 ( 1375 PWs) bands (ev): -0.7119 -0.7119 -0.7062 -0.6794 -0.4020 -0.4020 -0.3308 -0.3308 -0.3104 -0.2779 0.0894 0.0894 4.5926 4.5926 4.7712 4.8299 4.9224 4.9224 5.3373 5.3373 5.3537 5.4097 9.5208 9.5208 13.0674 13.0674 13.1900 13.1956 15.9146 15.9146 k = 0.2451 0.1415 0.1001 ( 1375 PWs) bands (ev): -0.7122 -0.7122 -0.7060 -0.6791 -0.4004 -0.4004 -0.3306 -0.3306 -0.3088 -0.2762 0.1575 0.1575 4.5799 4.5799 4.7739 4.8331 4.9276 4.9276 5.3362 5.3362 5.3555 5.4121 9.3036 9.3036 13.0048 13.0048 13.1278 13.1334 15.8999 15.8999 k = 0.2549 0.1472 0.1041 ( 1363 PWs) bands (ev): -0.7126 -0.7126 -0.7056 -0.6788 -0.3989 -0.3989 -0.3304 -0.3304 -0.3070 -0.2745 0.2282 0.2282 4.5667 4.5667 4.7767 4.8362 4.9329 4.9329 5.3356 5.3356 5.3580 5.4149 9.0898 9.0898 12.9441 12.9441 13.0676 13.0732 15.8862 15.8862 k = 0.2647 0.1528 0.1081 ( 1363 PWs) bands (ev): -0.7130 -0.7130 -0.7053 -0.6787 -0.3976 -0.3976 -0.3304 -0.3304 -0.3052 -0.2729 0.3015 0.3015 4.5531 4.5531 4.7792 4.8388 4.9378 4.9378 5.3351 5.3351 5.3607 5.4176 8.8797 8.8797 12.8854 12.8854 13.0094 13.0149 15.8736 15.8736 k = 0.2745 0.1585 0.1121 ( 1363 PWs) bands (ev): -0.7134 -0.7134 -0.7050 -0.6786 -0.3963 -0.3963 -0.3305 -0.3305 -0.3034 -0.2713 0.3771 0.3771 4.5391 4.5391 4.7817 4.8409 4.9424 4.9424 5.3348 5.3348 5.3638 5.4205 8.6733 8.6733 12.8286 12.8286 12.9531 12.9586 15.8620 15.8620 k = 0.2843 0.1641 0.1161 ( 1360 PWs) bands (ev): -0.7139 -0.7139 -0.7045 -0.6785 -0.3951 -0.3951 -0.3307 -0.3307 -0.3015 -0.2698 0.4549 0.4549 4.5245 4.5245 4.7841 4.8428 4.9468 4.9468 5.3350 5.3350 5.3673 5.4235 8.4709 8.4709 12.7738 12.7738 12.8989 12.9044 15.8515 15.8515 k = 0.2941 0.1698 0.1201 ( 1360 PWs) bands (ev): -0.7144 -0.7144 -0.7041 -0.6785 -0.3939 -0.3939 -0.3309 -0.3309 -0.2995 -0.2684 0.5348 0.5348 4.5095 4.5095 4.7863 4.8442 4.9508 4.9508 5.3354 5.3354 5.3712 5.4266 8.2728 8.2728 12.7211 12.7211 12.8468 12.8522 15.8421 15.8421 k = 0.3039 0.1755 0.1241 ( 1359 PWs) bands (ev): -0.7149 -0.7149 -0.7036 -0.6786 -0.3927 -0.3927 -0.3312 -0.3312 -0.2975 -0.2671 0.6166 0.6166 4.4941 4.4941 4.7884 4.8452 4.9545 4.9545 5.3361 5.3361 5.3753 5.4297 8.0793 8.0793 12.6706 12.6706 12.7968 12.8021 15.8337 15.8337 k = 0.3137 0.1811 0.1281 ( 1359 PWs) bands (ev): -0.7154 -0.7154 -0.7031 -0.6787 -0.3915 -0.3915 -0.3315 -0.3315 -0.2955 -0.2659 0.7000 0.7000 4.4780 4.4780 4.7904 4.8458 4.9579 4.9579 5.3370 5.3370 5.3798 5.4330 7.8905 7.8905 12.6221 12.6221 12.7490 12.7541 15.8264 15.8264 k = 0.3235 0.1868 0.1321 ( 1362 PWs) bands (ev): -0.7159 -0.7159 -0.7025 -0.6789 -0.3904 -0.3904 -0.3319 -0.3319 -0.2935 -0.2647 0.7850 0.7850 4.4612 4.4612 4.7923 4.8461 4.9608 4.9608 5.3382 5.3382 5.3846 5.4362 7.7067 7.7067 12.5759 12.5759 12.7033 12.7084 15.8200 15.8200 k = 0.3333 0.1925 0.1361 ( 1362 PWs) bands (ev): -0.7164 -0.7164 -0.7019 -0.6791 -0.3892 -0.3892 -0.3323 -0.3323 -0.2915 -0.2637 0.8712 0.8712 4.4438 4.4438 4.7941 4.8461 4.9635 4.9635 5.3397 5.3397 5.3895 5.4394 7.5285 7.5285 12.5319 12.5319 12.6599 12.6648 15.8146 15.8146 k = 0.3431 0.1981 0.1401 ( 1362 PWs) bands (ev): -0.7169 -0.7169 -0.7013 -0.6794 -0.3881 -0.3881 -0.3327 -0.3327 -0.2895 -0.2628 0.9584 0.9584 4.4256 4.4256 4.7958 4.8458 4.9658 4.9658 5.3413 5.3413 5.3947 5.4426 7.3562 7.3562 12.4901 12.4901 12.6188 12.6235 15.8100 15.8100 k = 0.3529 0.2038 0.1441 ( 1359 PWs) bands (ev): -0.7174 -0.7174 -0.7006 -0.6797 -0.3869 -0.3869 -0.3332 -0.3332 -0.2874 -0.2619 1.0463 1.0463 4.4066 4.4066 4.7974 4.8452 4.9678 4.9678 5.3430 5.3430 5.4000 5.4458 7.1902 7.1902 12.4506 12.4506 12.5799 12.5845 15.8064 15.8064 k = 0.3627 0.2094 0.1481 ( 1365 PWs) bands (ev): -0.7179 -0.7179 -0.7000 -0.6801 -0.3858 -0.3858 -0.3337 -0.3337 -0.2854 -0.2612 1.1345 1.1345 4.3866 4.3866 4.7990 4.8443 4.9694 4.9694 5.3447 5.3447 5.4052 5.4487 7.0309 7.0309 12.4135 12.4135 12.5434 12.5477 15.8035 15.8035 k = 0.3725 0.2151 0.1521 ( 1371 PWs) bands (ev): -0.7185 -0.7185 -0.6993 -0.6806 -0.3848 -0.3848 -0.3342 -0.3342 -0.2835 -0.2606 1.2227 1.2227 4.3654 4.3654 4.8005 4.8432 4.9708 4.9708 5.3463 5.3463 5.4105 5.4515 6.8790 6.8790 12.3788 12.3788 12.5093 12.5134 15.8013 15.8013 k = 0.3824 0.2208 0.1561 ( 1371 PWs) bands (ev): -0.7189 -0.7189 -0.6985 -0.6810 -0.3837 -0.3837 -0.3347 -0.3347 -0.2815 -0.2601 1.3103 1.3103 4.3433 4.3433 4.8020 4.8419 4.9720 4.9720 5.3480 5.3480 5.4158 5.4542 6.7352 6.7352 12.3465 12.3465 12.4775 12.4814 15.7998 15.7998 k = 0.3922 0.2264 0.1601 ( 1362 PWs) bands (ev): -0.7193 -0.7193 -0.6978 -0.6815 -0.3826 -0.3826 -0.3351 -0.3351 -0.2796 -0.2596 1.3968 1.3968 4.3201 4.3201 4.8034 4.8405 4.9729 4.9729 5.3497 5.3497 5.4213 5.4569 6.6001 6.6001 12.3166 12.3166 12.4482 12.4518 15.7989 15.7989 k = 0.4020 0.2321 0.1641 ( 1362 PWs) bands (ev): -0.7197 -0.7197 -0.6970 -0.6820 -0.3816 -0.3816 -0.3356 -0.3356 -0.2777 -0.2593 1.4814 1.4814 4.2957 4.2957 4.8049 4.8389 4.9737 4.9737 5.3510 5.3510 5.4264 5.4591 6.4743 6.4743 12.2892 12.2892 12.4214 12.4247 15.7985 15.7985 k = 0.4118 0.2377 0.1681 ( 1374 PWs) bands (ev): -0.7201 -0.7201 -0.6963 -0.6826 -0.3808 -0.3808 -0.3361 -0.3361 -0.2760 -0.2593 1.5635 1.5635 4.2704 4.2704 4.8062 4.8371 4.9742 4.9742 5.3518 5.3518 5.4311 5.4608 6.3584 6.3584 12.2643 12.2643 12.3970 12.4001 15.7985 15.7985 k = 0.4216 0.2434 0.1721 ( 1374 PWs) bands (ev): -0.7205 -0.7205 -0.6955 -0.6832 -0.3799 -0.3799 -0.3366 -0.3366 -0.2743 -0.2593 1.6421 1.6421 4.2443 4.2443 4.8077 4.8354 4.9746 4.9746 5.3525 5.3525 5.4359 5.4625 6.2533 6.2533 12.2420 12.2420 12.3752 12.3779 15.7988 15.7988 k = 0.4314 0.2491 0.1761 ( 1374 PWs) bands (ev): -0.7208 -0.7208 -0.6947 -0.6839 -0.3791 -0.3791 -0.3370 -0.3370 -0.2726 -0.2593 1.7162 1.7162 4.2179 4.2179 4.8091 4.8335 4.9749 4.9749 5.3527 5.3527 5.4404 5.4638 6.1596 6.1596 12.2222 12.2222 12.3559 12.3583 15.7994 15.7994 k = 0.4412 0.2547 0.1801 ( 1383 PWs) bands (ev): -0.7211 -0.7211 -0.6939 -0.6846 -0.3784 -0.3784 -0.3375 -0.3375 -0.2710 -0.2595 1.7845 1.7845 4.1918 4.1918 4.8105 4.8315 4.9750 4.9750 5.3526 5.3526 5.4446 5.4648 6.0777 6.0777 12.2050 12.2050 12.3391 12.3412 15.8000 15.8000 k = 0.4510 0.2604 0.1841 ( 1377 PWs) bands (ev): -0.7213 -0.7213 -0.6931 -0.6853 -0.3777 -0.3777 -0.3378 -0.3378 -0.2694 -0.2598 1.8458 1.8458 4.1670 4.1670 4.8120 4.8296 4.9752 4.9752 5.3523 5.3523 5.4486 5.4656 6.0083 6.0083 12.1904 12.1904 12.3249 12.3267 15.8008 15.8008 k = 0.4608 0.2660 0.1881 ( 1371 PWs) bands (ev): -0.7214 -0.7214 -0.6923 -0.6860 -0.3771 -0.3771 -0.3381 -0.3381 -0.2679 -0.2602 1.8987 1.8987 4.1444 4.1444 4.8136 4.8277 4.9753 4.9753 5.3516 5.3516 5.4523 5.4658 5.9516 5.9516 12.1785 12.1785 12.3133 12.3147 15.8016 15.8016 k = 0.4706 0.2717 0.1921 ( 1371 PWs) bands (ev): -0.7216 -0.7216 -0.6915 -0.6867 -0.3767 -0.3767 -0.3383 -0.3383 -0.2666 -0.2608 1.9418 1.9418 4.1250 4.1250 4.8152 4.8258 4.9753 4.9753 5.3507 5.3507 5.4554 5.4656 5.9076 5.9076 12.1692 12.1692 12.3043 12.3054 15.8022 15.8022 k = 0.4804 0.2774 0.1961 ( 1371 PWs) bands (ev): -0.7217 -0.7217 -0.6906 -0.6875 -0.3764 -0.3764 -0.3385 -0.3385 -0.2654 -0.2615 1.9736 1.9736 4.1102 4.1102 4.8168 4.8239 4.9754 4.9754 5.3498 5.3498 5.4582 5.4650 5.8762 5.8762 12.1625 12.1625 12.2979 12.2987 15.8027 15.8027 k = 0.4902 0.2830 0.2001 ( 1380 PWs) bands (ev): -0.7218 -0.7218 -0.6899 -0.6883 -0.3762 -0.3762 -0.3387 -0.3387 -0.2643 -0.2624 1.9932 1.9932 4.1008 4.1008 4.8184 4.8220 4.9753 4.9753 5.3490 5.3490 5.4603 5.4638 5.8575 5.8575 12.1585 12.1585 12.2942 12.2945 15.8031 15.8031 k = 0.5000 0.2887 0.2041 ( 1380 PWs) bands (ev): -0.7218 -0.7218 -0.6891 -0.6891 -0.3762 -0.3762 -0.3387 -0.3387 -0.2633 -0.2633 1.9998 1.9998 4.0976 4.0976 4.8202 4.8202 4.9753 4.9753 5.3488 5.3488 5.4623 5.4623 5.8513 5.8513 12.1572 12.1572 12.2930 12.2930 15.8032 15.8032 k = 0.5000 0.2887 0.2041 ( 1380 PWs) bands (ev): -0.7218 -0.7218 -0.6891 -0.6891 -0.3762 -0.3762 -0.3387 -0.3387 -0.2633 -0.2633 1.9998 1.9998 4.0976 4.0976 4.8202 4.8202 4.9753 4.9753 5.3488 5.3488 5.4623 5.4623 5.8513 5.8513 12.1572 12.1572 12.2930 12.2930 15.8032 15.8032 k = 0.5035 0.2787 0.2098 ( 1380 PWs) bands (ev): -0.7221 -0.7214 -0.6891 -0.6891 -0.3765 -0.3758 -0.3388 -0.3386 -0.2633 -0.2633 2.0008 2.0011 4.0984 4.0988 4.8202 4.8202 4.9752 4.9754 5.3480 5.3501 5.4626 5.4626 5.8500 5.8524 12.1474 12.1478 12.2833 12.2833 15.8042 15.8048 k = 0.5069 0.2686 0.2155 ( 1371 PWs) bands (ev): -0.7221 -0.7209 -0.6890 -0.6889 -0.3768 -0.3755 -0.3388 -0.3384 -0.2634 -0.2634 2.0040 2.0045 4.1013 4.1021 4.8203 4.8203 4.9752 4.9755 5.3480 5.3521 5.4636 5.4637 5.8486 5.8534 12.1169 12.1179 12.2564 12.2567 15.8037 15.8046 k = 0.5104 0.2586 0.2211 ( 1371 PWs) bands (ev): -0.7221 -0.7202 -0.6889 -0.6888 -0.3772 -0.3752 -0.3387 -0.3383 -0.2637 -0.2637 2.0095 2.0102 4.1062 4.1075 4.8202 4.8203 4.9752 4.9754 5.3484 5.3544 5.4651 5.4655 5.8470 5.8543 12.0618 12.0636 12.2181 12.2188 15.7895 15.7903 k = 0.5139 0.2486 0.2268 ( 1367 PWs) bands (ev): -0.7220 -0.7195 -0.6888 -0.6886 -0.3776 -0.3750 -0.3387 -0.3381 -0.2641 -0.2640 2.0171 2.0180 4.1131 4.1148 4.8202 4.8204 4.9753 4.9754 5.3495 5.3570 5.4673 5.4683 5.8452 5.8552 11.9801 11.9828 12.1738 12.1750 15.7495 15.7496 k = 0.5174 0.2386 0.2325 ( 1367 PWs) bands (ev): -0.7217 -0.7186 -0.6887 -0.6884 -0.3779 -0.3748 -0.3385 -0.3380 -0.2646 -0.2643 2.0269 2.0280 4.1219 4.1240 4.8200 4.8203 4.9753 4.9756 5.3511 5.3598 5.4701 5.4720 5.8432 5.8559 11.8740 11.8773 12.1252 12.1269 15.6816 15.6824 k = 0.5208 0.2285 0.2381 ( 1367 PWs) bands (ev): -0.7214 -0.7176 -0.6887 -0.6881 -0.3783 -0.3747 -0.3383 -0.3378 -0.2652 -0.2648 2.0389 2.0401 4.1326 4.1351 4.8197 4.8202 4.9753 4.9761 5.3532 5.3625 5.4735 5.4770 5.8411 5.8567 11.7475 11.7514 12.0721 12.0741 15.5952 15.5967 k = 0.5243 0.2185 0.2438 ( 1365 PWs) bands (ev): -0.7209 -0.7165 -0.6886 -0.6877 -0.3786 -0.3746 -0.3380 -0.3377 -0.2659 -0.2652 2.0530 2.0544 4.1451 4.1479 4.8193 4.8201 4.9755 4.9771 5.3557 5.3651 5.4778 5.4833 5.8389 5.8575 11.6048 11.6091 12.0142 12.0164 15.4993 15.5013 k = 0.5278 0.2085 0.2495 ( 1365 PWs) bands (ev): -0.7204 -0.7154 -0.6886 -0.6872 -0.3790 -0.3746 -0.3377 -0.3376 -0.2667 -0.2656 2.0693 2.0707 4.1593 4.1624 4.8188 4.8199 4.9759 4.9786 5.3584 5.3675 5.4829 5.4910 5.8366 5.8585 11.4491 11.4538 11.9514 11.9539 15.3996 15.4020 k = 0.5312 0.1985 0.2552 ( 1367 PWs) bands (ev): -0.7199 -0.7142 -0.6886 -0.6867 -0.3793 -0.3746 -0.3377 -0.3371 -0.2676 -0.2660 2.0876 2.0891 4.1750 4.1783 4.8182 4.8195 4.9766 4.9806 5.3613 5.3694 5.4888 5.5003 5.8342 5.8596 11.2833 11.2883 11.8842 11.8869 15.2994 15.3020 k = 0.5347 0.1884 0.2608 ( 1363 PWs) bands (ev): -0.7193 -0.7129 -0.6886 -0.6860 -0.3795 -0.3747 -0.3378 -0.3365 -0.2685 -0.2663 2.1080 2.1096 4.1922 4.1956 4.8177 4.8191 4.9777 4.9832 5.3644 5.3709 5.4959 5.5114 5.8319 5.8612 11.1096 11.1149 11.8131 11.8160 15.2003 15.2030 k = 0.5382 0.1784 0.2665 ( 1365 PWs) bands (ev): -0.7187 -0.7116 -0.6886 -0.6853 -0.3797 -0.3749 -0.3380 -0.3359 -0.2695 -0.2665 2.1304 2.1320 4.2106 4.2140 4.8171 4.8186 4.9793 4.9865 5.3674 5.3719 5.5039 5.5239 5.8296 5.8632 10.9297 10.9353 11.7387 11.7418 15.1035 15.1062 k = 0.5417 0.1684 0.2722 ( 1369 PWs) bands (ev): -0.7182 -0.7103 -0.6888 -0.6845 -0.3798 -0.3751 -0.3382 -0.3351 -0.2706 -0.2667 2.1548 2.1563 4.2299 4.2332 4.8169 4.8181 4.9814 4.9905 5.3703 5.3724 5.5128 5.5380 5.8275 5.8658 10.7453 10.7512 11.6616 11.6648 15.0093 15.0121 k = 0.5451 0.1584 0.2778 ( 1367 PWs) bands (ev): -0.7176 -0.7090 -0.6889 -0.6835 -0.3799 -0.3754 -0.3386 -0.3343 -0.2716 -0.2667 2.1811 2.1825 4.2501 4.2530 4.8173 4.8178 4.9842 4.9952 5.3726 5.3732 5.5228 5.5535 5.8259 5.8693 10.5576 10.5637 11.5823 11.5856 14.9182 14.9210 k = 0.5486 0.1483 0.2835 ( 1367 PWs) bands (ev): -0.7171 -0.7077 -0.6891 -0.6825 -0.3799 -0.3757 -0.3391 -0.3334 -0.2727 -0.2665 2.2092 2.2105 4.2707 4.2730 4.8178 4.8184 4.9875 5.0006 5.3723 5.3758 5.5336 5.5703 5.8249 5.8738 10.3676 10.3739 11.5012 11.5048 14.8303 14.8330 k = 0.5521 0.1383 0.2892 ( 1369 PWs) bands (ev): -0.7166 -0.7065 -0.6894 -0.6814 -0.3798 -0.3761 -0.3397 -0.3324 -0.2737 -0.2662 2.2391 2.2402 4.2913 4.2928 4.8182 4.8206 4.9915 5.0066 5.3718 5.3784 5.5451 5.5881 5.8248 5.8797 10.1763 10.1828 11.4190 11.4227 14.7456 14.7483 k = 0.5556 0.1283 0.2948 ( 1371 PWs) bands (ev): -0.7162 -0.7054 -0.6897 -0.6802 -0.3796 -0.3765 -0.3404 -0.3314 -0.2747 -0.2658 2.2707 2.2715 4.3117 4.3119 4.8195 4.8242 4.9961 5.0134 5.3709 5.3808 5.5570 5.6064 5.8262 5.8874 9.9845 9.9911 11.3360 11.3398 14.6641 14.6668 k = 0.5590 0.1183 0.3005 ( 1370 PWs) bands (ev): -0.7158 -0.7043 -0.6900 -0.6790 -0.3794 -0.3769 -0.3412 -0.3303 -0.2757 -0.2651 2.3038 2.3044 4.3299 4.3314 4.8219 4.8298 5.0015 5.0208 5.3698 5.3831 5.5690 5.6246 5.8297 5.8971 9.7927 9.7995 11.2527 11.2566 14.5860 14.5886 k = 0.5625 0.1083 0.3062 ( 1370 PWs) bands (ev): -0.7155 -0.7033 -0.6904 -0.6777 -0.3790 -0.3774 -0.3421 -0.3292 -0.2766 -0.2643 2.3384 2.3387 4.3462 4.3498 4.8257 4.8377 5.0074 5.0287 5.3686 5.3854 5.5810 5.6418 5.8363 5.9093 9.6018 9.6087 11.1693 11.1733 14.5111 14.5136 k = 0.5660 0.0982 0.3119 ( 1370 PWs) bands (ev): -0.7152 -0.7024 -0.6908 -0.6765 -0.3785 -0.3778 -0.3430 -0.3281 -0.2774 -0.2634 2.3743 2.3744 4.3604 4.3665 4.8314 4.8484 5.0138 5.0372 5.3671 5.3877 5.5926 5.6572 5.8469 5.9244 9.4121 9.4191 11.0862 11.0903 14.4393 14.4418 k = 0.5694 0.0882 0.3175 ( 1368 PWs) bands (ev): -0.7150 -0.7016 -0.6913 -0.6752 -0.3782 -0.3780 -0.3440 -0.3271 -0.2781 -0.2623 2.4111 2.4116 4.3719 4.3809 4.8392 4.8621 5.0208 5.0462 5.3655 5.3900 5.6035 5.6699 5.8626 5.9428 9.2243 9.2313 11.0038 11.0080 14.3707 14.3731 k = 0.5729 0.0782 0.3232 ( 1364 PWs) bands (ev): -0.7149 -0.7009 -0.6917 -0.6739 -0.3787 -0.3773 -0.3450 -0.3260 -0.2787 -0.2611 2.4489 2.4498 4.3805 4.3927 4.8496 4.8792 5.0283 5.0556 5.3639 5.3925 5.6137 5.6794 5.8839 5.9647 9.0388 9.0459 10.9222 10.9265 14.3051 14.3075 k = 0.5764 0.0682 0.3289 ( 1364 PWs) bands (ev): -0.7149 -0.7004 -0.6922 -0.6726 -0.3791 -0.3766 -0.3460 -0.3251 -0.2791 -0.2598 2.4876 2.4889 4.3859 4.4014 4.8624 4.8996 5.0362 5.0653 5.3622 5.3952 5.6230 5.6858 5.9106 5.9902 8.8562 8.8633 10.8418 10.8462 14.2426 14.2448 k = 0.5799 0.0581 0.3345 ( 1364 PWs) bands (ev): -0.7149 -0.7001 -0.6927 -0.6714 -0.3795 -0.3757 -0.3471 -0.3242 -0.2793 -0.2584 2.5269 2.5286 4.3882 4.4069 4.8777 4.9233 5.0445 5.0754 5.3604 5.3982 5.6315 5.6897 5.9422 6.0194 8.6771 8.6840 10.7627 10.7672 14.1830 14.1852 k = 0.5833 0.0481 0.3402 ( 1364 PWs) bands (ev): -0.7150 -0.7000 -0.6931 -0.6703 -0.3799 -0.3749 -0.3481 -0.3235 -0.2793 -0.2570 2.5667 2.5689 4.3873 4.4090 4.8953 4.9499 5.0531 5.0857 5.3586 5.4014 5.6395 5.6919 5.9782 6.0522 8.5019 8.5087 10.6852 10.6897 14.1263 14.1284 k = 0.5868 0.0381 0.3459 ( 1360 PWs) bands (ev): -0.7151 -0.7000 -0.6935 -0.6692 -0.3802 -0.3739 -0.3491 -0.3229 -0.2791 -0.2554 2.6067 2.6093 4.3836 4.4080 4.9148 4.9791 5.0621 5.0962 5.3569 5.4051 5.6472 5.6931 6.0176 6.0884 8.3315 8.3380 10.6095 10.6140 14.0724 14.0744 k = 0.5903 0.0281 0.3515 ( 1358 PWs) bands (ev): -0.7152 -0.7002 -0.6937 -0.6683 -0.3805 -0.3729 -0.3500 -0.3225 -0.2786 -0.2539 2.6466 2.6497 4.3772 4.4039 4.9355 5.0102 5.0715 5.1068 5.3553 5.4092 5.6552 5.6941 6.0599 6.1275 8.1664 8.1725 10.5357 10.5403 14.0213 14.0233 k = 0.5938 0.0180 0.3572 ( 1354 PWs) bands (ev): -0.7154 -0.7006 -0.6940 -0.6674 -0.3807 -0.3718 -0.3509 -0.3223 -0.2779 -0.2523 2.6862 2.6898 4.3684 4.3970 4.9569 5.0426 5.0812 5.1176 5.3538 5.4138 5.6638 5.6954 6.1041 6.1690 8.0076 8.0131 10.4641 10.4687 13.9730 13.9748 k = 0.5972 0.0080 0.3629 ( 1355 PWs) bands (ev): -0.7157 -0.7011 -0.6942 -0.6666 -0.3808 -0.3708 -0.3518 -0.3223 -0.2771 -0.2507 2.7250 2.7291 4.3573 4.3875 4.9780 5.0754 5.0912 5.1287 5.3524 5.4187 5.6739 5.6979 6.1493 6.2121 7.8563 7.8610 10.3947 10.3995 13.9273 13.9291 k = 0.6007-0.0020 0.3686 ( 1357 PWs) bands (ev): -0.7160 -0.7018 -0.6944 -0.6660 -0.3810 -0.3697 -0.3525 -0.3224 -0.2760 -0.2492 2.7628 2.7673 4.3442 4.3757 4.9984 5.1016 5.1070 5.1409 5.3511 5.4239 5.6859 5.7020 6.1944 6.2557 7.7140 7.7175 10.3279 10.3326 13.8843 13.8860 k = 0.6042-0.0120 0.3742 ( 1360 PWs) bands (ev): -0.7163 -0.7025 -0.6946 -0.6654 -0.3811 -0.3687 -0.3533 -0.3227 -0.2748 -0.2477 2.7991 2.8040 4.3294 4.3617 5.0171 5.1124 5.1332 5.1571 5.3501 5.4291 5.7007 5.7088 6.2378 6.2982 7.5826 7.5847 10.2636 10.2684 13.8439 13.8455 k = 0.6076-0.0221 0.3799 ( 1357 PWs) bands (ev): -0.7167 -0.7033 -0.6947 -0.6650 -0.3810 -0.3676 -0.3539 -0.3230 -0.2733 -0.2462 2.8335 2.8388 4.3131 4.3459 5.0339 5.1235 5.1497 5.1810 5.3496 5.4344 5.7190 5.7192 6.2771 6.3373 7.4650 7.4653 10.2022 10.2069 13.8060 13.8075 k = 0.6111-0.0321 0.3856 ( 1355 PWs) bands (ev): -0.7171 -0.7041 -0.6949 -0.6646 -0.3810 -0.3666 -0.3544 -0.3235 -0.2718 -0.2448 2.8653 2.8710 4.2954 4.3285 5.0483 5.1347 5.1609 5.2064 5.3496 5.4393 5.7340 5.7413 6.3092 6.3698 7.3630 7.3648 10.1436 10.1484 13.7707 13.7721 k = 0.6146-0.0421 0.3912 ( 1355 PWs) bands (ev): -0.7175 -0.7049 -0.6951 -0.6644 -0.3809 -0.3657 -0.3548 -0.3240 -0.2701 -0.2435 2.8940 2.9000 4.2765 4.3096 5.0603 5.1455 5.1704 5.2286 5.3505 5.4436 5.7541 5.7681 6.3303 6.3913 7.2827 7.2864 10.0881 10.0928 13.7378 13.7391 k = 0.6181-0.0521 0.3969 ( 1353 PWs) bands (ev): -0.7180 -0.7058 -0.6953 -0.6642 -0.3807 -0.3648 -0.3552 -0.3246 -0.2684 -0.2422 2.9190 2.9252 4.2569 4.2898 5.0700 5.1557 5.1787 5.2459 5.3524 5.4471 5.7798 5.7993 6.3366 6.3978 7.2295 7.2344 10.0358 10.0405 13.7074 13.7086 k = 0.6215-0.0621 0.4026 ( 1353 PWs) bands (ev): -0.7185 -0.7067 -0.6954 -0.6641 -0.3804 -0.3641 -0.3555 -0.3252 -0.2667 -0.2410 2.9395 2.9459 4.2369 4.2692 5.0776 5.1649 5.1862 5.2573 5.3553 5.4498 5.8107 5.8341 6.3268 6.3871 7.2066 7.2116 9.9868 9.9914 13.6794 13.6805 k = 0.6250-0.0722 0.4082 ( 1360 PWs) bands (ev): -0.7190 -0.7076 -0.6955 -0.6641 -0.3802 -0.3635 -0.3557 -0.3258 -0.2650 -0.2400 2.9548 2.9612 4.2168 4.2484 5.0833 5.1728 5.1927 5.2630 5.3588 5.4514 5.8454 5.8709 6.3036 6.3619 7.2132 7.2171 9.9412 9.9457 13.6538 13.6548 k = 0.6250-0.0722 0.4082 ( 1360 PWs) bands (ev): -0.7190 -0.7076 -0.6955 -0.6641 -0.3802 -0.3635 -0.3557 -0.3258 -0.2650 -0.2400 2.9548 2.9612 4.2168 4.2484 5.0833 5.1728 5.1927 5.2630 5.3588 5.4514 5.8454 5.8709 6.3036 6.3619 7.2132 7.2171 9.9412 9.9457 13.6538 13.6548 k = 0.6190-0.0687 0.4180 ( 1356 PWs) bands (ev): -0.7189 -0.7076 -0.6955 -0.6641 -0.3803 -0.3636 -0.3557 -0.3254 -0.2650 -0.2401 2.9552 2.9617 4.2178 4.2495 5.0820 5.1699 5.1938 5.2636 5.3591 5.4514 5.8468 5.8721 6.3044 6.3627 7.2139 7.2181 9.9283 9.9329 13.6698 13.6715 k = 0.6131-0.0653 0.4277 ( 1356 PWs) bands (ev): -0.7188 -0.7074 -0.6956 -0.6641 -0.3807 -0.3642 -0.3557 -0.3243 -0.2650 -0.2403 2.9565 2.9631 4.2206 4.2525 5.0778 5.1626 5.1954 5.2652 5.3598 5.4512 5.8509 5.8759 6.3069 6.3653 7.2160 7.2209 9.8902 9.8952 13.7175 13.7203 k = 0.6071-0.0619 0.4374 ( 1360 PWs) bands (ev): -0.7186 -0.7072 -0.6957 -0.6640 -0.3814 -0.3652 -0.3557 -0.3226 -0.2652 -0.2408 2.9587 2.9654 4.2253 4.2574 5.0710 5.1528 5.1961 5.2671 5.3609 5.4509 5.8575 5.8821 6.3111 6.3694 7.2195 7.2255 9.8291 9.8346 13.7951 13.7990 k = 0.6012-0.0584 0.4471 ( 1368 PWs) bands (ev): -0.7182 -0.7069 -0.6959 -0.6641 -0.3824 -0.3666 -0.3554 -0.3205 -0.2655 -0.2415 2.9618 2.9686 4.2318 4.2643 5.0619 5.1414 5.1955 5.2686 5.3627 5.4506 5.8665 5.8904 6.3168 6.3753 7.2246 7.2317 9.7478 9.7538 13.8999 13.9048 k = 0.5952-0.0550 0.4568 ( 1368 PWs) bands (ev): -0.7178 -0.7065 -0.6961 -0.6641 -0.3835 -0.3682 -0.3549 -0.3179 -0.2658 -0.2422 2.9656 2.9726 4.2401 4.2732 5.0511 5.1291 5.1936 5.2692 5.3654 5.4510 5.8776 5.9005 6.3243 6.3828 7.2313 7.2397 9.6499 9.6562 14.0286 14.0344 k = 0.5893-0.0515 0.4666 ( 1368 PWs) bands (ev): -0.7173 -0.7060 -0.6963 -0.6640 -0.3848 -0.3700 -0.3543 -0.3152 -0.2661 -0.2432 2.9702 2.9775 4.2501 4.2839 5.0387 5.1159 5.1906 5.2685 5.3688 5.4520 5.8904 5.9122 6.3334 6.3920 7.2396 7.2494 9.5386 9.5453 14.1779 14.1845 k = 0.5833-0.0481 0.4763 ( 1376 PWs) bands (ev): -0.7167 -0.7055 -0.6966 -0.6641 -0.3863 -0.3719 -0.3536 -0.3123 -0.2665 -0.2443 2.9756 2.9830 4.2616 4.2963 5.0251 5.1020 5.1865 5.2661 5.3727 5.4536 5.9047 5.9252 6.3441 6.4027 7.2494 7.2607 9.4172 9.4241 14.3447 14.3520 k = 0.5774-0.0447 0.4860 ( 1367 PWs) bands (ev): -0.7160 -0.7048 -0.6968 -0.6640 -0.3877 -0.3736 -0.3527 -0.3093 -0.2668 -0.2455 2.9816 2.9893 4.2747 4.3104 5.0109 5.0877 5.1818 5.2624 5.3773 5.4561 5.9201 5.9391 6.3564 6.4150 7.2608 7.2737 9.2887 9.2956 14.5262 14.5341 k = 0.5714-0.0412 0.4957 ( 1369 PWs) bands (ev): -0.7152 -0.7042 -0.6971 -0.6640 -0.3893 -0.3753 -0.3519 -0.3063 -0.2672 -0.2469 2.9881 2.9961 4.2890 4.3260 4.9959 5.0728 5.1766 5.2574 5.3820 5.4593 5.9362 5.9537 6.3702 6.4287 7.2736 7.2881 9.1557 9.1625 14.7200 14.7285 k = 0.5655-0.0378 0.5055 ( 1369 PWs) bands (ev): -0.7145 -0.7036 -0.6974 -0.6639 -0.3908 -0.3769 -0.3510 -0.3032 -0.2676 -0.2485 2.9951 3.0033 4.3044 4.3429 4.9808 5.0575 5.1711 5.2512 5.3867 5.4630 5.9528 5.9688 6.3853 6.4436 7.2878 7.3040 9.0205 9.0270 14.9240 14.9330 k = 0.5595-0.0344 0.5152 ( 1365 PWs) bands (ev): -0.7136 -0.7030 -0.6976 -0.6639 -0.3923 -0.3784 -0.3502 -0.3001 -0.2680 -0.2501 3.0025 3.0110 4.3207 4.3609 4.9658 5.0420 5.1658 5.2441 5.3914 5.4671 5.9696 5.9841 6.4016 6.4596 7.3032 7.3211 8.8853 8.8914 15.1363 15.1458 k = 0.5536-0.0309 0.5249 ( 1365 PWs) bands (ev): -0.7128 -0.7024 -0.6978 -0.6639 -0.3938 -0.3797 -0.3494 -0.2971 -0.2684 -0.2519 3.0101 3.0189 4.3376 4.3798 4.9511 5.0263 5.1606 5.2363 5.3959 5.4715 5.9862 5.9996 6.4189 6.4764 7.3194 7.3393 8.7522 8.7576 15.3551 15.3651 k = 0.5476-0.0275 0.5346 ( 1366 PWs) bands (ev): -0.7120 -0.7020 -0.6980 -0.6639 -0.3953 -0.3809 -0.3487 -0.2941 -0.2688 -0.2538 3.0178 3.0268 4.3548 4.3993 4.9369 5.0107 5.1559 5.2280 5.4001 5.4758 6.0024 6.0152 6.4367 6.4935 7.3362 7.3581 8.6233 8.6278 15.5787 15.5891 k = 0.5417-0.0241 0.5443 ( 1368 PWs) bands (ev): -0.7112 -0.7017 -0.6981 -0.6639 -0.3966 -0.3820 -0.3480 -0.2912 -0.2692 -0.2558 3.0254 3.0347 4.3718 4.4189 4.9236 4.9951 5.1519 5.2194 5.4040 5.4800 6.0180 6.0305 6.4548 6.5105 7.3529 7.3770 8.5009 8.5041 15.8050 15.8160 k = 0.5357-0.0206 0.5541 ( 1362 PWs) bands (ev): -0.7104 -0.7016 -0.6979 -0.6638 -0.3977 -0.3828 -0.3474 -0.2883 -0.2695 -0.2579 3.0328 3.0423 4.3884 4.4381 4.9116 4.9801 5.1488 5.2108 5.4076 5.4841 6.0328 6.0455 6.4726 6.5269 7.3687 7.3953 8.3872 8.3891 16.0316 16.0432 k = 0.5298-0.0172 0.5638 ( 1366 PWs) bands (ev): -0.7097 -0.7016 -0.6978 -0.6638 -0.3987 -0.3836 -0.3469 -0.2856 -0.2697 -0.2601 3.0398 3.0495 4.4038 4.4563 4.9012 4.9657 5.1465 5.2021 5.4107 5.4876 6.0468 6.0598 6.4894 6.5418 7.3828 7.4118 8.2844 8.2863 16.2551 16.2673 k = 0.5238-0.0137 0.5735 ( 1366 PWs) bands (ev): -0.7090 -0.7018 -0.6976 -0.6638 -0.3996 -0.3842 -0.3464 -0.2829 -0.2699 -0.2624 3.0461 3.0560 4.4177 4.4729 4.8927 4.9525 5.1454 5.1938 5.4133 5.4908 6.0597 6.0730 6.5046 6.5546 7.3939 7.4254 8.1953 8.1990 16.4701 16.4830 k = 0.5179-0.0103 0.5832 ( 1366 PWs) bands (ev): -0.7085 -0.7019 -0.6974 -0.6638 -0.4002 -0.3847 -0.3461 -0.2804 -0.2700 -0.2646 3.0516 3.0616 4.4293 4.4870 4.8865 4.9408 5.1453 5.1860 5.4155 5.4934 6.0712 6.0846 6.5172 6.5645 7.4011 7.4348 8.1236 8.1296 16.6677 16.6813 k = 0.5119-0.0069 0.5929 ( 1366 PWs) bands (ev): -0.7081 -0.7021 -0.6972 -0.6638 -0.4007 -0.3851 -0.3458 -0.2780 -0.2701 -0.2669 3.0558 3.0660 4.4382 4.4979 4.8828 4.9314 5.1462 5.1792 5.4170 5.4954 6.0808 6.0939 6.5264 6.5709 7.4042 7.4395 8.0723 8.0802 16.8321 16.8459 k = 0.5060-0.0034 0.6027 ( 1364 PWs) bands (ev): -0.7078 -0.7022 -0.6971 -0.6638 -0.4009 -0.3853 -0.3456 -0.2760 -0.2701 -0.2688 3.0587 3.0689 4.4438 4.5047 4.8811 4.9250 5.1476 5.1741 5.4180 5.4966 6.0876 6.1002 6.5319 6.5741 7.4042 7.4403 8.0425 8.0516 16.9396 16.9528 k = 0.5000-0.0000 0.6124 ( 1348 PWs) bands (ev): -0.7076 -0.7021 -0.6970 -0.6638 -0.4010 -0.3853 -0.3455 -0.2748 -0.2703 -0.2694 3.0598 3.0700 4.4457 4.5071 4.8810 4.9229 5.1485 5.1723 5.4187 5.4974 6.0904 6.1026 6.5336 6.5749 7.4035 7.4397 8.0331 8.0425 16.9739 16.9866 k = 0.5000-0.0000 0.6124 ( 1348 PWs) bands (ev): -0.7076 -0.7021 -0.6970 -0.6638 -0.4010 -0.3853 -0.3455 -0.2748 -0.2703 -0.2694 3.0598 3.0700 4.4457 4.5071 4.8810 4.9229 5.1485 5.1723 5.4187 5.4974 6.0904 6.1026 6.5336 6.5749 7.4035 7.4397 8.0331 8.0425 16.9739 16.9866 k = 0.5000 0.0069 0.6027 ( 1364 PWs) bands (ev): -0.7077 -0.7023 -0.6970 -0.6639 -0.4010 -0.3853 -0.3456 -0.2751 -0.2708 -0.2691 3.0575 3.0677 4.4461 4.5075 4.8781 4.9231 5.1465 5.1758 5.4178 5.4963 6.0836 6.0968 6.5357 6.5789 7.3994 7.4356 8.0485 8.0573 16.9506 16.9640 k = 0.5000 0.0137 0.5929 ( 1364 PWs) bands (ev): -0.7076 -0.7025 -0.6968 -0.6639 -0.4009 -0.3851 -0.3457 -0.2757 -0.2713 -0.2685 3.0510 3.0611 4.4473 4.5086 4.8710 4.9237 5.1435 5.1846 5.4160 5.4939 6.0651 6.0802 6.5409 6.5888 7.3905 7.4265 8.0919 8.0994 16.8918 16.9060 k = 0.5000 0.0206 0.5832 ( 1364 PWs) bands (ev): -0.7074 -0.7028 -0.6964 -0.6641 -0.4006 -0.3849 -0.3459 -0.2766 -0.2718 -0.2679 3.0403 3.0502 4.4492 4.5105 4.8609 4.9230 5.1418 5.1956 5.4130 5.4899 6.0386 6.0550 6.5452 6.5985 7.3842 7.4201 8.1576 8.1635 16.8142 16.8290 k = 0.5000 0.0275 0.5735 ( 1366 PWs) bands (ev): -0.7073 -0.7032 -0.6960 -0.6643 -0.4003 -0.3846 -0.3461 -0.2779 -0.2721 -0.2674 3.0256 3.0352 4.4518 4.5129 4.8491 4.9202 5.1423 5.2077 5.4085 5.4840 6.0076 6.0241 6.5436 6.6015 7.3887 7.4242 8.2395 8.2441 16.7274 16.7425 k = 0.5000 0.0344 0.5638 ( 1366 PWs) bands (ev): -0.7070 -0.7036 -0.6955 -0.6645 -0.3999 -0.3842 -0.3464 -0.2794 -0.2723 -0.2670 3.0070 3.0163 4.4550 4.5158 4.8364 4.9152 5.1449 5.2204 5.4028 5.4763 5.9750 5.9904 6.5324 6.5933 7.4101 7.4444 8.3332 8.3372 16.6364 16.6518 k = 0.5000 0.0412 0.5541 ( 1364 PWs) bands (ev): -0.7068 -0.7040 -0.6950 -0.6648 -0.3994 -0.3837 -0.3467 -0.2811 -0.2725 -0.2666 2.9848 2.9938 4.4585 4.5190 4.8233 4.9082 5.1493 5.2333 5.3957 5.4668 5.9426 5.9558 6.5099 6.5721 7.4510 7.4831 8.4357 8.4395 16.5438 16.5594 k = 0.5000 0.0481 0.5443 ( 1364 PWs) bands (ev): -0.7066 -0.7043 -0.6945 -0.6652 -0.3989 -0.3831 -0.3471 -0.2830 -0.2727 -0.2665 2.9593 2.9680 4.4622 4.5222 4.8102 4.8997 5.1550 5.2461 5.3869 5.4552 5.9119 5.9218 6.4768 6.5392 7.5108 7.5400 8.5451 8.5491 16.4511 16.4669 k = 0.5000 0.0550 0.5346 ( 1368 PWs) bands (ev): -0.7067 -0.7044 -0.6941 -0.6656 -0.3982 -0.3826 -0.3475 -0.2851 -0.2729 -0.2664 2.9309 2.9391 4.4658 4.5252 4.7973 4.8900 5.1611 5.2585 5.3764 5.4417 5.8837 5.8895 6.4352 6.4974 7.5870 7.6132 8.6600 8.6644 16.3593 16.3752 k = 0.5000 0.0619 0.5249 ( 1366 PWs) bands (ev): -0.7068 -0.7043 -0.6936 -0.6661 -0.3975 -0.3819 -0.3478 -0.2873 -0.2730 -0.2663 2.8999 2.9076 4.4693 4.5277 4.7852 4.8799 5.1672 5.2706 5.3639 5.4268 5.8575 5.8604 6.3876 6.4497 7.6770 7.7002 8.7795 8.7844 16.2692 16.2851 k = 0.5000 0.0687 0.5152 ( 1370 PWs) bands (ev): -0.7072 -0.7040 -0.6932 -0.6666 -0.3967 -0.3813 -0.3482 -0.2897 -0.2732 -0.2664 2.8666 2.8737 4.4723 4.5294 4.7739 4.8695 5.1725 5.2821 5.3493 5.4111 5.8305 5.8378 6.3364 6.3987 7.7783 7.7988 8.9030 8.9082 16.1810 16.1970 k = 0.5000 0.0756 0.5055 ( 1368 PWs) bands (ev): -0.7076 -0.7036 -0.6927 -0.6672 -0.3959 -0.3806 -0.3485 -0.2920 -0.2734 -0.2666 2.8314 2.8380 4.4745 4.5299 4.7639 4.8594 5.1766 5.2929 5.3325 5.3956 5.8052 5.8193 6.2833 6.3464 7.8889 7.9071 9.0298 9.0354 16.0954 16.1114 k = 0.5000 0.0825 0.4957 ( 1370 PWs) bands (ev): -0.7081 -0.7032 -0.6923 -0.6679 -0.3949 -0.3800 -0.3487 -0.2946 -0.2735 -0.2668 2.7946 2.8006 4.4758 4.5289 4.7554 4.8498 5.1785 5.3029 5.3131 5.3813 5.7822 5.8040 6.2297 6.2944 8.0075 8.0238 9.1595 9.1655 16.0126 16.0286 k = 0.5000 0.0894 0.4860 ( 1372 PWs) bands (ev): -0.7086 -0.7028 -0.6920 -0.6686 -0.3939 -0.3794 -0.3489 -0.2971 -0.2736 -0.2670 2.7565 2.7620 4.4757 4.5260 4.7487 4.8410 5.1778 5.2914 5.3120 5.3694 5.7614 5.7913 6.1767 6.2436 8.1330 8.1476 9.2916 9.2979 15.9328 15.9488 k = 0.5000 0.0962 0.4763 ( 1372 PWs) bands (ev): -0.7091 -0.7024 -0.6917 -0.6693 -0.3929 -0.3789 -0.3489 -0.2997 -0.2737 -0.2673 2.7175 2.7224 4.4742 4.5208 4.7440 4.8332 5.1740 5.2678 5.3200 5.3607 5.7425 5.7809 6.1252 6.1950 8.2646 8.2777 9.4259 9.4325 15.8565 15.8724 k = 0.5000 0.1031 0.4666 ( 1368 PWs) bands (ev): -0.7096 -0.7020 -0.6914 -0.6701 -0.3918 -0.3784 -0.3488 -0.3024 -0.2738 -0.2676 2.6779 2.6822 4.4709 4.5134 4.7412 4.8266 5.1669 5.2431 5.3267 5.3557 5.7252 5.7724 6.0759 6.1493 8.4015 8.4135 9.5620 9.5688 15.7838 15.7997 k = 0.5000 0.1100 0.4568 ( 1368 PWs) bands (ev): -0.7100 -0.7017 -0.6911 -0.6710 -0.3906 -0.3780 -0.3486 -0.3050 -0.2738 -0.2680 2.6379 2.6417 4.4656 4.5035 4.7403 4.8213 5.1567 5.2178 5.3319 5.3543 5.7090 5.7650 6.0291 6.1067 8.5434 8.5543 9.6995 9.7065 15.7149 15.7307 k = 0.5000 0.1168 0.4471 ( 1366 PWs) bands (ev): -0.7105 -0.7015 -0.6909 -0.6719 -0.3895 -0.3778 -0.3482 -0.3077 -0.2739 -0.2683 2.5978 2.6010 4.4582 4.4913 4.7412 4.8173 5.1439 5.1927 5.3356 5.3559 5.6936 5.7583 5.9856 6.0678 8.6896 8.6998 9.8381 9.8454 15.6502 15.6659 k = 0.5000 0.1237 0.4374 ( 1370 PWs) bands (ev): -0.7111 -0.7014 -0.6907 -0.6729 -0.3883 -0.3776 -0.3477 -0.3103 -0.2738 -0.2686 2.5579 2.5605 4.4487 4.4770 4.7435 4.8145 5.1291 5.1680 5.3387 5.3590 5.6786 5.7514 5.9458 6.0328 8.8400 8.8494 9.9776 9.9850 15.5900 15.6055 k = 0.5000 0.1306 0.4277 ( 1370 PWs) bands (ev): -0.7116 -0.7015 -0.6904 -0.6739 -0.3872 -0.3775 -0.3471 -0.3129 -0.2738 -0.2689 2.5183 2.5205 4.4372 4.4608 4.7470 4.8129 5.1131 5.1446 5.3418 5.3628 5.6636 5.7434 5.9108 6.0017 8.9940 9.0028 10.1175 10.1250 15.5344 15.5497 k = 0.5000 0.1375 0.4180 ( 1374 PWs) bands (ev): -0.7121 -0.7017 -0.6902 -0.6749 -0.3860 -0.3775 -0.3464 -0.3155 -0.2737 -0.2692 2.4792 2.4809 4.4235 4.4430 4.7515 4.8123 5.0966 5.1226 5.3450 5.3663 5.6486 5.7330 5.8813 5.9746 9.1514 9.1597 10.2574 10.2651 15.4838 15.4990 k = 0.5000 0.1443 0.4082 ( 1374 PWs) bands (ev): -0.7126 -0.7020 -0.6900 -0.6760 -0.3850 -0.3775 -0.3455 -0.3179 -0.2735 -0.2694 2.4409 2.4422 4.4081 4.4238 4.7566 4.8126 5.0799 5.1024 5.3483 5.3695 5.6333 5.7194 5.8584 5.9515 9.3119 9.3198 10.3970 10.4048 15.4386 15.4535 k = 0.5000 0.1512 0.3985 ( 1374 PWs) bands (ev): -0.7132 -0.7025 -0.6898 -0.6770 -0.3839 -0.3775 -0.3447 -0.3202 -0.2733 -0.2696 2.4036 2.4045 4.3910 4.4036 4.7622 4.8135 5.0637 5.0839 5.3515 5.3722 5.6179 5.7020 5.8423 5.9321 9.4751 9.4826 10.5358 10.5437 15.3990 15.4137 k = 0.5000 0.1581 0.3888 ( 1366 PWs) bands (ev): -0.7137 -0.7031 -0.6895 -0.6781 -0.3830 -0.3775 -0.3437 -0.3224 -0.2730 -0.2696 2.3672 2.3679 4.3726 4.3825 4.7682 4.8150 5.0484 5.0674 5.3548 5.3744 5.6026 5.6818 5.8321 5.9161 9.6408 9.6480 10.6734 10.6813 15.3656 15.3800 k = 0.5000 0.1650 0.3791 ( 1368 PWs) bands (ev): -0.7143 -0.7039 -0.6893 -0.6791 -0.3822 -0.3774 -0.3429 -0.3245 -0.2726 -0.2696 2.3320 2.3326 4.3530 4.3608 4.7742 4.8165 5.0343 5.0524 5.3577 5.3759 5.5873 5.6598 5.8262 5.9030 9.8085 9.8155 10.8091 10.8170 15.3387 15.3528 k = 0.5000 0.1718 0.3694 ( 1364 PWs) bands (ev): -0.7148 -0.7047 -0.6891 -0.6802 -0.3815 -0.3772 -0.3420 -0.3265 -0.2722 -0.2695 2.2980 2.2988 4.3325 4.3389 4.7801 4.8181 5.0217 5.0391 5.3603 5.3770 5.5724 5.6375 5.8233 5.8925 9.9780 9.9847 10.9425 10.9504 15.3187 15.3325 k = 0.5000 0.1787 0.3596 ( 1362 PWs) bands (ev): -0.7154 -0.7057 -0.6889 -0.6812 -0.3810 -0.3769 -0.3412 -0.3283 -0.2717 -0.2693 2.2655 2.2664 4.3115 4.3168 4.7859 4.8196 5.0109 5.0273 5.3625 5.3773 5.5581 5.6155 5.8222 5.8841 10.1488 10.1553 11.0729 11.0807 15.3062 15.3196 k = 0.5000 0.1856 0.3499 ( 1364 PWs) bands (ev): -0.7161 -0.7069 -0.6888 -0.6822 -0.3807 -0.3765 -0.3405 -0.3299 -0.2711 -0.2691 2.2345 2.2356 4.2902 4.2949 4.7913 4.8208 5.0017 5.0169 5.3643 5.3771 5.5447 5.5945 5.8225 5.8774 10.3203 10.3267 11.1996 11.2073 15.3016 15.3145 k = 0.5000 0.1925 0.3402 ( 1364 PWs) bands (ev): -0.7167 -0.7080 -0.6887 -0.6831 -0.3804 -0.3761 -0.3399 -0.3314 -0.2705 -0.2688 2.2051 2.2064 4.2690 4.2733 4.7964 4.8217 4.9943 5.0079 5.3654 5.3764 5.5322 5.5749 5.8236 5.8722 10.4922 10.4984 11.3219 11.3294 15.3053 15.3177 k = 0.5000 0.1993 0.3305 ( 1366 PWs) bands (ev): -0.7174 -0.7093 -0.6886 -0.6840 -0.3802 -0.3757 -0.3394 -0.3328 -0.2699 -0.2684 2.1775 2.1789 4.2482 4.2523 4.8010 4.8223 4.9884 5.0002 5.3659 5.3754 5.5209 5.5567 5.8253 5.8682 10.6637 10.6698 11.4391 11.4464 15.3178 15.3297 k = 0.5000 0.2062 0.3208 ( 1370 PWs) bands (ev): -0.7181 -0.7105 -0.6885 -0.6849 -0.3800 -0.3754 -0.3389 -0.3339 -0.2692 -0.2680 2.1517 2.1532 4.2280 4.2320 4.8051 4.8226 4.9838 4.9938 5.3655 5.3740 5.5106 5.5401 5.8273 5.8651 10.8340 10.8400 11.5505 11.5576 15.3395 15.3508 k = 0.5000 0.2131 0.3110 ( 1366 PWs) bands (ev): -0.7187 -0.7118 -0.6885 -0.6856 -0.3798 -0.3751 -0.3386 -0.3349 -0.2685 -0.2675 2.1278 2.1294 4.2087 4.2125 4.8086 4.8227 4.9806 4.9886 5.3645 5.3727 5.5018 5.5253 5.8296 5.8628 11.0024 11.0082 11.6554 11.6621 15.3705 15.3811 k = 0.5000 0.2199 0.3013 ( 1364 PWs) bands (ev): -0.7193 -0.7130 -0.6884 -0.6862 -0.3795 -0.3749 -0.3384 -0.3358 -0.2678 -0.2670 2.1058 2.1074 4.1905 4.1941 4.8117 4.8226 4.9784 4.9846 5.3626 5.3711 5.4940 5.5122 5.8320 5.8609 11.1675 11.1732 11.7532 11.7595 15.4109 15.4207 k = 0.5000 0.2268 0.2916 ( 1364 PWs) bands (ev): -0.7199 -0.7143 -0.6885 -0.6868 -0.3792 -0.3747 -0.3382 -0.3365 -0.2670 -0.2665 2.0858 2.0874 4.1736 4.1770 4.8142 4.8223 4.9769 4.9814 5.3603 5.3694 5.4873 5.5009 5.8344 5.8595 11.3281 11.3336 11.8432 11.8491 15.4601 15.4691 k = 0.5000 0.2337 0.2819 ( 1368 PWs) bands (ev): -0.7205 -0.7155 -0.6885 -0.6874 -0.3790 -0.3746 -0.3382 -0.3370 -0.2663 -0.2659 2.0678 2.0693 4.1581 4.1612 4.8160 4.8219 4.9759 4.9790 5.3578 5.3673 5.4816 5.4913 5.8367 5.8583 11.4825 11.4877 11.9252 11.9305 15.5173 15.5254 k = 0.5000 0.2406 0.2722 ( 1370 PWs) bands (ev): -0.7210 -0.7166 -0.6886 -0.6878 -0.3787 -0.3747 -0.3383 -0.3375 -0.2657 -0.2654 2.0519 2.0533 4.1442 4.1470 4.8175 4.8215 4.9754 4.9773 5.3553 5.3649 5.4768 5.4834 5.8390 5.8574 11.6284 11.6333 11.9989 12.0036 15.5805 15.5875 k = 0.5000 0.2474 0.2624 ( 1368 PWs) bands (ev): -0.7214 -0.7177 -0.6887 -0.6882 -0.3783 -0.3747 -0.3384 -0.3377 -0.2650 -0.2649 2.0380 2.0393 4.1319 4.1344 4.8186 4.8211 4.9753 4.9763 5.3530 5.3624 5.4729 5.4771 5.8412 5.8566 11.7632 11.7676 12.0645 12.0685 15.6464 15.6521 k = 0.5000 0.2543 0.2527 ( 1368 PWs) bands (ev): -0.7217 -0.7186 -0.6887 -0.6884 -0.3780 -0.3748 -0.3385 -0.3379 -0.2645 -0.2644 2.0263 2.0274 4.1214 4.1235 4.8194 4.8209 4.9752 4.9756 5.3510 5.3596 5.4697 5.4721 5.8433 5.8559 11.8835 11.8873 12.1223 12.1255 15.7091 15.7134 k = 0.5000 0.2612 0.2430 ( 1370 PWs) bands (ev): -0.7220 -0.7195 -0.6888 -0.6887 -0.3776 -0.3750 -0.3387 -0.3381 -0.2641 -0.2640 2.0167 2.0176 4.1127 4.1144 4.8198 4.8206 4.9752 4.9754 5.3494 5.3569 5.4670 5.4683 5.8452 5.8551 11.9853 11.9883 12.1734 12.1757 15.7604 15.7633 k = 0.5000 0.2681 0.2333 ( 1370 PWs) bands (ev): -0.7221 -0.7203 -0.6889 -0.6888 -0.3772 -0.3752 -0.3387 -0.3383 -0.2637 -0.2637 2.0093 2.0099 4.1060 4.1073 4.8201 4.8204 4.9752 4.9755 5.3484 5.3543 5.4650 5.4656 5.8470 5.8543 12.0641 12.0661 12.2187 12.2200 15.7923 15.7940 k = 0.5000 0.2749 0.2236 ( 1372 PWs) bands (ev): -0.7222 -0.7209 -0.6890 -0.6889 -0.3768 -0.3755 -0.3388 -0.3384 -0.2634 -0.2634 2.0040 2.0044 4.1012 4.1021 4.8202 4.8203 4.9752 4.9755 5.3479 5.3520 5.4636 5.4637 5.8486 5.8534 12.1177 12.1188 12.2570 12.2574 15.8040 15.8050 k = 0.5000 0.2818 0.2138 ( 1380 PWs) bands (ev): -0.7221 -0.7214 -0.6891 -0.6891 -0.3765 -0.3758 -0.3388 -0.3386 -0.2633 -0.2633 2.0008 2.0010 4.0984 4.0988 4.8202 4.8202 4.9752 4.9754 5.3480 5.3501 5.4626 5.4626 5.8500 5.8524 12.1476 12.1480 12.2835 12.2836 15.8042 15.8048 k = 0.5000 0.2887 0.2041 ( 1380 PWs) bands (ev): -0.7218 -0.7218 -0.6891 -0.6891 -0.3762 -0.3762 -0.3387 -0.3387 -0.2633 -0.2633 1.9998 1.9998 4.0976 4.0976 4.8202 4.8202 4.9753 4.9753 5.3488 5.3488 5.4623 5.4623 5.8513 5.8513 12.1572 12.1572 12.2930 12.2930 15.8032 15.8032 k = 0.5000 0.2887 0.2041 ( 1380 PWs) bands (ev): -0.7218 -0.7218 -0.6891 -0.6891 -0.3762 -0.3762 -0.3387 -0.3387 -0.2633 -0.2633 1.9998 1.9998 4.0976 4.0976 4.8202 4.8202 4.9753 4.9753 5.3488 5.3488 5.4623 5.4623 5.8513 5.8513 12.1572 12.1572 12.2930 12.2930 15.8032 15.8032 k = 0.4965 0.2867 0.2155 ( 1380 PWs) bands (ev): -0.7221 -0.7214 -0.6891 -0.6891 -0.3765 -0.3758 -0.3388 -0.3386 -0.2633 -0.2633 2.0008 2.0011 4.0984 4.0988 4.8202 4.8202 4.9752 4.9754 5.3480 5.3501 5.4626 5.4626 5.8500 5.8524 12.1474 12.1478 12.2833 12.2833 15.8042 15.8048 k = 0.4931 0.2847 0.2268 ( 1371 PWs) bands (ev): -0.7221 -0.7209 -0.6890 -0.6889 -0.3768 -0.3755 -0.3388 -0.3384 -0.2634 -0.2634 2.0040 2.0045 4.1013 4.1021 4.8203 4.8203 4.9752 4.9755 5.3480 5.3521 5.4636 5.4637 5.8486 5.8534 12.1169 12.1179 12.2564 12.2567 15.8037 15.8046 k = 0.4896 0.2827 0.2381 ( 1371 PWs) bands (ev): -0.7221 -0.7202 -0.6889 -0.6888 -0.3772 -0.3752 -0.3387 -0.3383 -0.2637 -0.2637 2.0095 2.0102 4.1062 4.1075 4.8202 4.8203 4.9752 4.9754 5.3484 5.3544 5.4651 5.4655 5.8470 5.8543 12.0618 12.0636 12.2181 12.2188 15.7895 15.7903 k = 0.4861 0.2807 0.2495 ( 1367 PWs) bands (ev): -0.7220 -0.7195 -0.6888 -0.6886 -0.3776 -0.3750 -0.3387 -0.3381 -0.2641 -0.2640 2.0171 2.0180 4.1131 4.1148 4.8202 4.8204 4.9753 4.9754 5.3495 5.3570 5.4673 5.4683 5.8452 5.8552 11.9801 11.9828 12.1738 12.1750 15.7495 15.7496 k = 0.4826 0.2787 0.2608 ( 1367 PWs) bands (ev): -0.7217 -0.7186 -0.6887 -0.6884 -0.3779 -0.3748 -0.3385 -0.3380 -0.2646 -0.2643 2.0269 2.0280 4.1219 4.1240 4.8200 4.8203 4.9753 4.9756 5.3511 5.3598 5.4701 5.4720 5.8432 5.8559 11.8740 11.8773 12.1252 12.1269 15.6816 15.6824 k = 0.4792 0.2766 0.2722 ( 1367 PWs) bands (ev): -0.7214 -0.7176 -0.6887 -0.6881 -0.3783 -0.3747 -0.3383 -0.3378 -0.2652 -0.2648 2.0389 2.0401 4.1326 4.1351 4.8197 4.8202 4.9753 4.9761 5.3532 5.3625 5.4735 5.4770 5.8411 5.8567 11.7475 11.7514 12.0721 12.0741 15.5952 15.5967 k = 0.4757 0.2746 0.2835 ( 1365 PWs) bands (ev): -0.7209 -0.7165 -0.6886 -0.6877 -0.3786 -0.3746 -0.3380 -0.3377 -0.2659 -0.2652 2.0530 2.0544 4.1451 4.1479 4.8193 4.8201 4.9755 4.9771 5.3557 5.3651 5.4778 5.4833 5.8389 5.8575 11.6048 11.6091 12.0142 12.0164 15.4993 15.5013 k = 0.4722 0.2726 0.2948 ( 1365 PWs) bands (ev): -0.7204 -0.7154 -0.6886 -0.6872 -0.3790 -0.3746 -0.3377 -0.3376 -0.2667 -0.2656 2.0693 2.0707 4.1593 4.1624 4.8188 4.8199 4.9759 4.9786 5.3584 5.3675 5.4829 5.4910 5.8366 5.8585 11.4491 11.4538 11.9514 11.9539 15.3996 15.4020 k = 0.4688 0.2706 0.3062 ( 1367 PWs) bands (ev): -0.7199 -0.7142 -0.6886 -0.6867 -0.3793 -0.3746 -0.3377 -0.3371 -0.2676 -0.2660 2.0876 2.0891 4.1750 4.1783 4.8182 4.8195 4.9766 4.9806 5.3613 5.3694 5.4888 5.5003 5.8342 5.8596 11.2833 11.2883 11.8842 11.8869 15.2994 15.3020 k = 0.4653 0.2686 0.3175 ( 1363 PWs) bands (ev): -0.7193 -0.7129 -0.6886 -0.6860 -0.3795 -0.3747 -0.3378 -0.3365 -0.2685 -0.2663 2.1080 2.1096 4.1922 4.1956 4.8177 4.8191 4.9777 4.9832 5.3644 5.3709 5.4959 5.5114 5.8319 5.8612 11.1096 11.1149 11.8131 11.8160 15.2003 15.2030 k = 0.4618 0.2666 0.3289 ( 1365 PWs) bands (ev): -0.7187 -0.7116 -0.6886 -0.6853 -0.3797 -0.3749 -0.3380 -0.3359 -0.2695 -0.2665 2.1304 2.1320 4.2106 4.2140 4.8171 4.8186 4.9793 4.9865 5.3674 5.3719 5.5039 5.5239 5.8296 5.8632 10.9297 10.9353 11.7387 11.7418 15.1035 15.1062 k = 0.4583 0.2646 0.3402 ( 1369 PWs) bands (ev): -0.7182 -0.7103 -0.6888 -0.6845 -0.3798 -0.3751 -0.3382 -0.3351 -0.2706 -0.2667 2.1548 2.1563 4.2299 4.2332 4.8169 4.8181 4.9814 4.9905 5.3703 5.3724 5.5128 5.5380 5.8275 5.8658 10.7453 10.7512 11.6616 11.6648 15.0093 15.0121 k = 0.4549 0.2626 0.3515 ( 1367 PWs) bands (ev): -0.7176 -0.7090 -0.6889 -0.6835 -0.3799 -0.3754 -0.3386 -0.3343 -0.2716 -0.2667 2.1811 2.1825 4.2501 4.2530 4.8173 4.8178 4.9842 4.9952 5.3726 5.3732 5.5228 5.5535 5.8259 5.8693 10.5576 10.5637 11.5823 11.5856 14.9182 14.9210 k = 0.4514 0.2606 0.3629 ( 1367 PWs) bands (ev): -0.7171 -0.7077 -0.6891 -0.6825 -0.3799 -0.3757 -0.3391 -0.3334 -0.2727 -0.2665 2.2092 2.2105 4.2707 4.2730 4.8178 4.8184 4.9875 5.0006 5.3723 5.3758 5.5336 5.5703 5.8249 5.8738 10.3676 10.3739 11.5012 11.5048 14.8303 14.8330 k = 0.4479 0.2586 0.3742 ( 1369 PWs) bands (ev): -0.7166 -0.7065 -0.6894 -0.6814 -0.3798 -0.3761 -0.3397 -0.3324 -0.2737 -0.2662 2.2391 2.2402 4.2913 4.2928 4.8182 4.8206 4.9915 5.0066 5.3718 5.3784 5.5451 5.5881 5.8248 5.8797 10.1763 10.1828 11.4190 11.4227 14.7456 14.7483 k = 0.4444 0.2566 0.3856 ( 1371 PWs) bands (ev): -0.7162 -0.7054 -0.6897 -0.6802 -0.3796 -0.3765 -0.3404 -0.3314 -0.2747 -0.2658 2.2707 2.2715 4.3117 4.3119 4.8195 4.8242 4.9961 5.0134 5.3709 5.3808 5.5570 5.6064 5.8262 5.8874 9.9845 9.9911 11.3360 11.3398 14.6641 14.6668 k = 0.4410 0.2546 0.3969 ( 1370 PWs) bands (ev): -0.7158 -0.7043 -0.6900 -0.6790 -0.3794 -0.3769 -0.3412 -0.3303 -0.2757 -0.2651 2.3038 2.3044 4.3299 4.3314 4.8219 4.8298 5.0015 5.0208 5.3698 5.3831 5.5690 5.6246 5.8297 5.8971 9.7927 9.7995 11.2527 11.2566 14.5860 14.5886 k = 0.4375 0.2526 0.4082 ( 1370 PWs) bands (ev): -0.7155 -0.7033 -0.6904 -0.6777 -0.3790 -0.3774 -0.3421 -0.3292 -0.2766 -0.2643 2.3384 2.3387 4.3462 4.3498 4.8257 4.8377 5.0074 5.0287 5.3686 5.3854 5.5810 5.6418 5.8363 5.9093 9.6018 9.6087 11.1693 11.1733 14.5111 14.5136 k = 0.4340 0.2506 0.4196 ( 1370 PWs) bands (ev): -0.7152 -0.7024 -0.6908 -0.6765 -0.3785 -0.3778 -0.3430 -0.3281 -0.2774 -0.2634 2.3743 2.3744 4.3604 4.3665 4.8314 4.8484 5.0138 5.0372 5.3671 5.3877 5.5926 5.6572 5.8469 5.9244 9.4121 9.4191 11.0862 11.0903 14.4393 14.4418 k = 0.4306 0.2486 0.4309 ( 1368 PWs) bands (ev): -0.7150 -0.7016 -0.6913 -0.6752 -0.3782 -0.3780 -0.3440 -0.3271 -0.2781 -0.2623 2.4111 2.4116 4.3719 4.3809 4.8392 4.8621 5.0208 5.0462 5.3655 5.3900 5.6035 5.6699 5.8626 5.9428 9.2243 9.2313 11.0038 11.0080 14.3707 14.3731 k = 0.4271 0.2466 0.4423 ( 1364 PWs) bands (ev): -0.7149 -0.7009 -0.6917 -0.6739 -0.3787 -0.3773 -0.3450 -0.3260 -0.2787 -0.2611 2.4489 2.4498 4.3805 4.3927 4.8496 4.8792 5.0283 5.0556 5.3639 5.3925 5.6137 5.6794 5.8839 5.9647 9.0388 9.0459 10.9222 10.9265 14.3051 14.3075 k = 0.4236 0.2446 0.4536 ( 1364 PWs) bands (ev): -0.7149 -0.7004 -0.6922 -0.6726 -0.3791 -0.3766 -0.3460 -0.3251 -0.2791 -0.2598 2.4876 2.4889 4.3859 4.4014 4.8624 4.8996 5.0362 5.0653 5.3622 5.3952 5.6230 5.6858 5.9106 5.9902 8.8562 8.8633 10.8418 10.8462 14.2426 14.2448 k = 0.4201 0.2426 0.4649 ( 1364 PWs) bands (ev): -0.7149 -0.7001 -0.6927 -0.6714 -0.3795 -0.3757 -0.3471 -0.3242 -0.2793 -0.2584 2.5269 2.5286 4.3882 4.4069 4.8777 4.9233 5.0445 5.0754 5.3604 5.3982 5.6315 5.6897 5.9422 6.0194 8.6771 8.6840 10.7627 10.7672 14.1830 14.1852 k = 0.4167 0.2406 0.4763 ( 1364 PWs) bands (ev): -0.7150 -0.7000 -0.6931 -0.6703 -0.3799 -0.3749 -0.3481 -0.3235 -0.2793 -0.2570 2.5667 2.5689 4.3873 4.4090 4.8953 4.9499 5.0531 5.0857 5.3586 5.4014 5.6395 5.6919 5.9782 6.0522 8.5019 8.5087 10.6852 10.6897 14.1263 14.1284 k = 0.4132 0.2386 0.4876 ( 1360 PWs) bands (ev): -0.7151 -0.7000 -0.6935 -0.6692 -0.3802 -0.3739 -0.3491 -0.3229 -0.2791 -0.2554 2.6067 2.6093 4.3836 4.4080 4.9148 4.9791 5.0621 5.0962 5.3569 5.4051 5.6472 5.6931 6.0176 6.0884 8.3315 8.3380 10.6095 10.6140 14.0724 14.0744 k = 0.4097 0.2366 0.4990 ( 1358 PWs) bands (ev): -0.7152 -0.7002 -0.6937 -0.6683 -0.3805 -0.3729 -0.3500 -0.3225 -0.2786 -0.2539 2.6466 2.6497 4.3772 4.4039 4.9355 5.0102 5.0715 5.1068 5.3553 5.4092 5.6552 5.6941 6.0599 6.1275 8.1664 8.1725 10.5357 10.5403 14.0213 14.0233 k = 0.4062 0.2345 0.5103 ( 1354 PWs) bands (ev): -0.7154 -0.7006 -0.6940 -0.6674 -0.3807 -0.3718 -0.3509 -0.3223 -0.2779 -0.2523 2.6862 2.6898 4.3684 4.3970 4.9569 5.0426 5.0812 5.1176 5.3538 5.4138 5.6638 5.6954 6.1041 6.1690 8.0076 8.0131 10.4641 10.4687 13.9730 13.9748 k = 0.4028 0.2325 0.5217 ( 1355 PWs) bands (ev): -0.7157 -0.7011 -0.6942 -0.6666 -0.3808 -0.3708 -0.3518 -0.3223 -0.2771 -0.2507 2.7250 2.7291 4.3573 4.3875 4.9780 5.0754 5.0912 5.1287 5.3524 5.4187 5.6739 5.6979 6.1493 6.2121 7.8563 7.8610 10.3947 10.3995 13.9273 13.9291 k = 0.3993 0.2305 0.5330 ( 1357 PWs) bands (ev): -0.7160 -0.7018 -0.6944 -0.6660 -0.3810 -0.3697 -0.3525 -0.3224 -0.2760 -0.2492 2.7628 2.7673 4.3442 4.3757 4.9984 5.1016 5.1070 5.1409 5.3511 5.4239 5.6859 5.7020 6.1944 6.2557 7.7140 7.7175 10.3279 10.3326 13.8843 13.8860 k = 0.3958 0.2285 0.5443 ( 1360 PWs) bands (ev): -0.7163 -0.7025 -0.6946 -0.6654 -0.3811 -0.3687 -0.3533 -0.3227 -0.2748 -0.2477 2.7991 2.8040 4.3294 4.3617 5.0171 5.1124 5.1332 5.1571 5.3501 5.4291 5.7007 5.7088 6.2378 6.2982 7.5826 7.5847 10.2636 10.2684 13.8439 13.8455 k = 0.3924 0.2265 0.5557 ( 1357 PWs) bands (ev): -0.7167 -0.7033 -0.6947 -0.6650 -0.3810 -0.3676 -0.3539 -0.3230 -0.2733 -0.2462 2.8335 2.8388 4.3131 4.3459 5.0339 5.1235 5.1497 5.1810 5.3496 5.4344 5.7190 5.7192 6.2771 6.3373 7.4650 7.4653 10.2022 10.2069 13.8060 13.8075 k = 0.3889 0.2245 0.5670 ( 1355 PWs) bands (ev): -0.7171 -0.7041 -0.6949 -0.6646 -0.3810 -0.3666 -0.3544 -0.3235 -0.2718 -0.2448 2.8653 2.8710 4.2954 4.3285 5.0483 5.1347 5.1609 5.2064 5.3496 5.4393 5.7340 5.7413 6.3092 6.3698 7.3630 7.3648 10.1436 10.1484 13.7707 13.7721 k = 0.3854 0.2225 0.5784 ( 1355 PWs) bands (ev): -0.7175 -0.7049 -0.6951 -0.6644 -0.3809 -0.3657 -0.3548 -0.3240 -0.2701 -0.2435 2.8940 2.9000 4.2765 4.3096 5.0603 5.1455 5.1704 5.2286 5.3505 5.4436 5.7541 5.7681 6.3303 6.3913 7.2827 7.2864 10.0881 10.0928 13.7378 13.7391 k = 0.3819 0.2205 0.5897 ( 1353 PWs) bands (ev): -0.7180 -0.7058 -0.6953 -0.6642 -0.3807 -0.3648 -0.3552 -0.3246 -0.2684 -0.2422 2.9190 2.9252 4.2569 4.2898 5.0700 5.1557 5.1787 5.2459 5.3524 5.4471 5.7798 5.7993 6.3366 6.3978 7.2295 7.2344 10.0358 10.0405 13.7074 13.7086 k = 0.3785 0.2185 0.6010 ( 1353 PWs) bands (ev): -0.7185 -0.7067 -0.6954 -0.6641 -0.3804 -0.3641 -0.3555 -0.3252 -0.2667 -0.2410 2.9395 2.9459 4.2369 4.2692 5.0776 5.1649 5.1862 5.2573 5.3553 5.4498 5.8107 5.8341 6.3268 6.3871 7.2066 7.2116 9.9868 9.9914 13.6794 13.6805 k = 0.3750 0.2165 0.6124 ( 1360 PWs) bands (ev): -0.7190 -0.7076 -0.6955 -0.6641 -0.3802 -0.3635 -0.3557 -0.3258 -0.2650 -0.2400 2.9548 2.9612 4.2168 4.2484 5.0833 5.1728 5.1927 5.2630 5.3588 5.4514 5.8454 5.8709 6.3036 6.3619 7.2132 7.2171 9.9412 9.9457 13.6538 13.6548 k = 0.6250-0.0722 0.4082 ( 1360 PWs) bands (ev): -0.7190 -0.7076 -0.6955 -0.6641 -0.3802 -0.3635 -0.3557 -0.3258 -0.2650 -0.2400 2.9548 2.9612 4.2168 4.2484 5.0833 5.1728 5.1927 5.2630 5.3588 5.4514 5.8454 5.8709 6.3036 6.3619 7.2132 7.2171 9.9412 9.9457 13.6538 13.6548 k = 0.6190-0.0825 0.4082 ( 1356 PWs) bands (ev): -0.7199 -0.7092 -0.6956 -0.6641 -0.3795 -0.3625 -0.3559 -0.3268 -0.2619 -0.2382 2.9744 2.9810 4.1828 4.2129 5.0919 5.1846 5.2033 5.2672 5.3650 5.4536 5.9055 5.9330 6.2573 6.3112 7.2541 7.2555 9.8674 9.8719 13.6130 13.6139 k = 0.6131-0.0928 0.4082 ( 1356 PWs) bands (ev): -0.7209 -0.7109 -0.6956 -0.6644 -0.3788 -0.3615 -0.3560 -0.3278 -0.2589 -0.2365 2.9912 2.9977 4.1489 4.1774 5.1004 5.1948 5.2139 5.2697 5.3701 5.4553 5.9613 5.9923 6.2146 6.2619 7.3069 7.3078 9.7965 9.8008 13.5744 13.5751 k = 0.6071-0.1031 0.4082 ( 1356 PWs) bands (ev): -0.7219 -0.7126 -0.6956 -0.6648 -0.3780 -0.3606 -0.3561 -0.3288 -0.2559 -0.2349 3.0054 3.0119 4.1154 4.1422 5.1091 5.2042 5.2245 5.2714 5.3742 5.4568 6.0075 6.0467 6.1786 6.2146 7.3716 7.3744 9.7285 9.7326 13.5378 13.5384 k = 0.6012-0.1134 0.4082 ( 1348 PWs) bands (ev): -0.7228 -0.7142 -0.6955 -0.6653 -0.3769 -0.3597 -0.3560 -0.3297 -0.2530 -0.2332 3.0174 3.0239 4.0825 4.1076 5.1180 5.2131 5.2348 5.2733 5.3776 5.4582 6.0336 6.0938 6.1590 6.1707 7.4492 7.4536 9.6635 9.6675 13.5034 13.5037 k = 0.5952-0.1237 0.4082 ( 1348 PWs) bands (ev): -0.7238 -0.7158 -0.6954 -0.6660 -0.3758 -0.3589 -0.3559 -0.3307 -0.2501 -0.2316 3.0274 3.0338 4.0504 4.0737 5.1270 5.2215 5.2448 5.2755 5.3805 5.4593 6.0275 6.1100 6.1533 6.1669 7.5387 7.5445 9.6016 9.6054 13.4709 13.4711 k = 0.5893-0.1340 0.4082 ( 1350 PWs) bands (ev): -0.7248 -0.7175 -0.6952 -0.6668 -0.3746 -0.3580 -0.3557 -0.3317 -0.2473 -0.2301 3.0356 3.0419 4.0193 4.0409 5.1362 5.2297 5.2540 5.2784 5.3828 5.4602 6.0003 6.0739 6.1838 6.1914 7.6391 7.6458 9.5429 9.5465 13.4405 13.4405 k = 0.5833-0.1443 0.4082 ( 1362 PWs) bands (ev): -0.7259 -0.7192 -0.6950 -0.6678 -0.3734 -0.3574 -0.3555 -0.3328 -0.2447 -0.2288 3.0423 3.0484 3.9893 4.0092 5.1456 5.2377 5.2620 5.2825 5.3848 5.4607 5.9666 6.0332 6.2150 6.2184 7.7486 7.7560 9.4874 9.4908 13.4118 13.4120 k = 0.5774-0.1546 0.4082 ( 1362 PWs) bands (ev): -0.7268 -0.7208 -0.6947 -0.6689 -0.3720 -0.3566 -0.3552 -0.3338 -0.2421 -0.2274 3.0478 3.0536 3.9608 3.9789 5.1555 5.2457 5.2688 5.2882 5.3868 5.4613 5.9317 5.9935 6.2421 6.2434 7.8656 7.8734 9.4353 9.4386 13.3851 13.3855 k = 0.5714-0.1650 0.4082 ( 1356 PWs) bands (ev): -0.7278 -0.7223 -0.6944 -0.6700 -0.3704 -0.3559 -0.3549 -0.3349 -0.2396 -0.2261 3.0523 3.0578 3.9338 3.9503 5.1658 5.2537 5.2745 5.2951 5.3890 5.4619 5.8973 5.9553 6.2652 6.2654 7.9882 7.9961 9.3867 9.3897 13.3603 13.3609 k = 0.5655-0.1753 0.4082 ( 1356 PWs) bands (ev): -0.7287 -0.7238 -0.6939 -0.6712 -0.3688 -0.3553 -0.3546 -0.3359 -0.2372 -0.2250 3.0557 3.0610 3.9085 3.9234 5.1763 5.2615 5.2796 5.3022 5.3913 5.4622 5.8640 5.9188 6.2843 6.2847 8.1144 8.1223 9.3416 9.3444 13.3372 13.3381 k = 0.5595-0.1856 0.4082 ( 1356 PWs) bands (ev): -0.7295 -0.7251 -0.6935 -0.6724 -0.3672 -0.3547 -0.3542 -0.3370 -0.2350 -0.2239 3.0584 3.0633 3.8851 3.8983 5.1872 5.2691 5.2844 5.3088 5.3941 5.4623 5.8323 5.8840 6.3004 6.3012 8.2424 8.2501 9.3001 9.3026 13.3159 13.3170 k = 0.5536-0.1959 0.4082 ( 1354 PWs) bands (ev): -0.7303 -0.7264 -0.6929 -0.6737 -0.3655 -0.3542 -0.3539 -0.3381 -0.2329 -0.2230 3.0605 3.0651 3.8636 3.8753 5.1984 5.2765 5.2892 5.3146 5.3976 5.4624 5.8024 5.8511 6.3141 6.3151 8.3700 8.3774 9.2623 9.2646 13.2962 13.2975 k = 0.5476-0.2062 0.4082 ( 1352 PWs) bands (ev): -0.7310 -0.7276 -0.6923 -0.6750 -0.3637 -0.3537 -0.3536 -0.3392 -0.2309 -0.2222 3.0622 3.0663 3.8440 3.8543 5.2099 5.2835 5.2940 5.3190 5.4020 5.4623 5.7748 5.8202 6.3255 6.3267 8.4951 8.5021 9.2283 9.2303 13.2778 13.2795 k = 0.5417-0.2165 0.4082 ( 1352 PWs) bands (ev): -0.7316 -0.7287 -0.6917 -0.6764 -0.3620 -0.3533 -0.3532 -0.3403 -0.2291 -0.2215 3.0633 3.0670 3.8267 3.8356 5.2215 5.2902 5.2987 5.3217 5.4073 5.4620 5.7495 5.7913 6.3352 6.3363 8.6154 8.6218 9.1982 9.1998 13.2606 13.2626 k = 0.5357-0.2268 0.4082 ( 1358 PWs) bands (ev): -0.7322 -0.7297 -0.6910 -0.6777 -0.3603 -0.3530 -0.3529 -0.3415 -0.2275 -0.2210 3.0642 3.0674 3.8115 3.8191 5.2330 5.2962 5.3031 5.3225 5.4134 5.4615 5.7269 5.7647 6.3432 6.3442 8.7284 8.7341 9.1720 9.1733 13.2438 13.2463 k = 0.5298-0.2371 0.4082 ( 1358 PWs) bands (ev): -0.7326 -0.7306 -0.6902 -0.6791 -0.3586 -0.3527 -0.3526 -0.3428 -0.2260 -0.2207 3.0649 3.0676 3.7987 3.8049 5.2446 5.3018 5.3072 5.3218 5.4202 5.4609 5.7074 5.7406 6.3497 6.3506 8.8314 8.8363 9.1498 9.1507 13.2267 13.2297 k = 0.5238-0.2474 0.4082 ( 1362 PWs) bands (ev): -0.7330 -0.7314 -0.6894 -0.6804 -0.3570 -0.3526 -0.3523 -0.3441 -0.2248 -0.2205 3.0653 3.0675 3.7883 3.7932 5.2558 5.3065 5.3106 5.3194 5.4273 5.4600 5.6913 5.7193 6.3549 6.3557 8.9214 8.9253 9.1317 9.1322 13.2078 13.2113 k = 0.5179-0.2577 0.4082 ( 1362 PWs) bands (ev): -0.7332 -0.7320 -0.6884 -0.6817 -0.3555 -0.3525 -0.3519 -0.3454 -0.2236 -0.2204 3.0657 3.0674 3.7802 3.7839 5.2668 5.3105 5.3128 5.3162 5.4343 5.4587 5.6791 5.7011 6.3589 6.3595 8.9955 8.9981 9.1179 9.1179 13.1858 13.1894 k = 0.5119-0.2681 0.4082 ( 1362 PWs) bands (ev): -0.7333 -0.7325 -0.6874 -0.6829 -0.3542 -0.3524 -0.3513 -0.3467 -0.2226 -0.2205 3.0661 3.0672 3.7746 3.7770 5.2772 5.3097 5.3137 5.3160 5.4408 5.4570 5.6713 5.6864 6.3617 6.3621 9.0505 9.0516 9.1082 9.1089 13.1619 13.1650 k = 0.5060-0.2784 0.4082 ( 1362 PWs) bands (ev): -0.7333 -0.7329 -0.6864 -0.6841 -0.3532 -0.3525 -0.3505 -0.3481 -0.2219 -0.2208 3.0664 3.0669 3.7715 3.7727 5.2869 5.3033 5.3158 5.3169 5.4464 5.4544 5.6680 5.6758 6.3634 6.3636 9.0815 9.0821 9.1049 9.1064 13.1427 13.1444 k = 0.5000-0.2887 0.4082 ( 1362 PWs) bands (ev): -0.7332 -0.7332 -0.6853 -0.6853 -0.3527 -0.3527 -0.3494 -0.3494 -0.2212 -0.2212 3.0667 3.0667 3.7708 3.7708 5.2957 5.2957 5.3169 5.3169 5.4510 5.4510 5.6695 5.6695 6.3640 6.3640 9.0887 9.0887 9.1082 9.1082 13.1358 13.1358 Writing output data file ZnNi.save init_run : 2.79s CPU 13.09s WALL ( 1 calls) electrons : 173.00s CPU 180.30s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.34s CPU 1.33s WALL ( 1 calls) Called by electrons: c_bands : 172.96s CPU 179.93s WALL ( 1 calls) v_of_rho : 0.15s CPU 0.70s WALL ( 1 calls) v_h : 0.05s CPU 0.05s WALL ( 1 calls) v_xc : 0.10s CPU 0.48s WALL ( 1 calls) newd : 0.14s CPU 0.47s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.04s WALL ( 389 calls) cegterg : 128.71s CPU 129.78s WALL ( 493 calls) Called by sum_band: Called by *egterg: h_psi : 53.81s CPU 58.31s WALL ( 8730 calls) s_psi : 5.83s CPU 6.20s WALL ( 8730 calls) g_psi : 0.09s CPU 0.17s WALL ( 7848 calls) cdiaghg : 54.06s CPU 52.15s WALL ( 8237 calls) cegterg:over : 10.95s CPU 9.48s WALL ( 7848 calls) cegterg:upda : 0.49s CPU 1.47s WALL ( 7848 calls) cegterg:last : 0.57s CPU 1.07s WALL ( 1431 calls) Called by h_psi: h_psi:vloc : 43.50s CPU 47.47s WALL ( 8730 calls) h_psi:vnl : 10.28s CPU 10.69s WALL ( 8730 calls) add_vuspsi : 2.39s CPU 4.11s WALL ( 8730 calls) General routines calbec : 7.87s CPU 6.53s WALL ( 8730 calls) fft : 0.29s CPU 0.91s WALL ( 19 calls) ffts : 0.00s CPU 0.05s WALL ( 4 calls) fftw : 41.54s CPU 45.10s WALL ( 558472 calls) interpolate : 0.08s CPU 0.14s WALL ( 4 calls) davcio : 0.04s CPU 4.06s WALL ( 778 calls) Parallel routines fft_scatter : 34.37s CPU 36.88s WALL ( 558495 calls) PWSCF : 3m26.11s CPU 4m45.86s WALL This run was terminated on: 20:26:23 25Aug2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=