Program PWSCF v.5.1.1 starts on 27Aug2015 at 18:10:13 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: ./MnP.save/ file Mn.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 3P 3P 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 57 16 5 2016 296 49 Max 58 17 6 2021 318 53 Sum 2773 793 241 96905 14649 2421 bravais-lattice index = 14 lattice parameter (alat) = 7.0928 a.u. unit-cell volume = 252.3070 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 20.00 number of Kohn-Sham states= 28 kinetic-energy cutoff = 57.0000 Ry charge density cutoff = 803.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.092752 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 Mn read from file: /home/autes/Pseudo/Mn.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 5689fa97e257199ddb8f72ed56aebbb6 Pseudo is Ultrasoft + core correction, Zval = 15.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1187 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 P read from file: /home/autes/Pseudo/P.rel-pbe-nl-rrkjus_psl.1.0.0.UPF MD5 check sum: 782f947b08835e3b01fca5c2a6fe19fa Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1147 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Mn 15.00 54.93800 Mn( 1.00) P 5.00 30.97380 P( 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= 394 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025381 k( 2) = ( 0.0083333 -0.0048113 0.0068041), wk = 0.0025381 k( 3) = ( 0.0166667 -0.0096225 0.0136083), wk = 0.0025381 k( 4) = ( 0.0250000 -0.0144338 0.0204124), wk = 0.0025381 k( 5) = ( 0.0333333 -0.0192450 0.0272165), wk = 0.0025381 k( 6) = ( 0.0416667 -0.0240563 0.0340207), wk = 0.0025381 k( 7) = ( 0.0500000 -0.0288675 0.0408248), wk = 0.0025381 k( 8) = ( 0.0583333 -0.0336788 0.0476290), wk = 0.0025381 k( 9) = ( 0.0666667 -0.0384900 0.0544331), wk = 0.0025381 k( 10) = ( 0.0750000 -0.0433013 0.0612372), wk = 0.0025381 k( 11) = ( 0.0833333 -0.0481125 0.0680414), wk = 0.0025381 k( 12) = ( 0.0916667 -0.0529238 0.0748455), wk = 0.0025381 k( 13) = ( 0.1000000 -0.0577350 0.0816497), wk = 0.0025381 k( 14) = ( 0.1083333 -0.0625463 0.0884538), wk = 0.0025381 k( 15) = ( 0.1166667 -0.0673575 0.0952579), wk = 0.0025381 k( 16) = ( 0.1250000 -0.0721688 0.1020621), wk = 0.0025381 k( 17) = ( 0.1333333 -0.0769800 0.1088662), wk = 0.0025381 k( 18) = ( 0.1416667 -0.0817913 0.1156704), wk = 0.0025381 k( 19) = ( 0.1500000 -0.0866025 0.1224745), wk = 0.0025381 k( 20) = ( 0.1583333 -0.0914138 0.1292786), wk = 0.0025381 k( 21) = ( 0.1666667 -0.0962250 0.1360828), wk = 0.0025381 k( 22) = ( 0.1750000 -0.1010363 0.1428869), wk = 0.0025381 k( 23) = ( 0.1833333 -0.1058475 0.1496910), wk = 0.0025381 k( 24) = ( 0.1916667 -0.1106588 0.1564952), wk = 0.0025381 k( 25) = ( 0.2000000 -0.1154701 0.1632993), wk = 0.0025381 k( 26) = ( 0.2083333 -0.1202813 0.1701035), wk = 0.0025381 k( 27) = ( 0.2166667 -0.1250926 0.1769076), wk = 0.0025381 k( 28) = ( 0.2250000 -0.1299038 0.1837117), wk = 0.0025381 k( 29) = ( 0.2333333 -0.1347151 0.1905159), wk = 0.0025381 k( 30) = ( 0.2416667 -0.1395263 0.1973200), wk = 0.0025381 k( 31) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0025381 k( 32) = ( 0.2583333 -0.1491488 0.2109283), wk = 0.0025381 k( 33) = ( 0.2666667 -0.1539601 0.2177324), wk = 0.0025381 k( 34) = ( 0.2750000 -0.1587713 0.2245366), wk = 0.0025381 k( 35) = ( 0.2833333 -0.1635826 0.2313407), wk = 0.0025381 k( 36) = ( 0.2916667 -0.1683938 0.2381448), wk = 0.0025381 k( 37) = ( 0.3000000 -0.1732051 0.2449490), wk = 0.0025381 k( 38) = ( 0.3083333 -0.1780163 0.2517531), wk = 0.0025381 k( 39) = ( 0.3166667 -0.1828276 0.2585573), wk = 0.0025381 k( 40) = ( 0.3250000 -0.1876388 0.2653614), wk = 0.0025381 k( 41) = ( 0.3333333 -0.1924501 0.2721655), wk = 0.0025381 k( 42) = ( 0.3416667 -0.1972613 0.2789697), wk = 0.0025381 k( 43) = ( 0.3500000 -0.2020726 0.2857738), wk = 0.0025381 k( 44) = ( 0.3583333 -0.2068838 0.2925779), wk = 0.0025381 k( 45) = ( 0.3666667 -0.2116951 0.2993821), wk = 0.0025381 k( 46) = ( 0.3750000 -0.2165064 0.3061862), wk = 0.0025381 k( 47) = ( 0.3833333 -0.2213176 0.3129904), wk = 0.0025381 k( 48) = ( 0.3916667 -0.2261289 0.3197945), wk = 0.0025381 k( 49) = ( 0.4000000 -0.2309401 0.3265986), wk = 0.0025381 k( 50) = ( 0.4083333 -0.2357514 0.3334028), wk = 0.0025381 k( 51) = ( 0.4166667 -0.2405626 0.3402069), wk = 0.0025381 k( 52) = ( 0.4250000 -0.2453739 0.3470110), wk = 0.0025381 k( 53) = ( 0.4333333 -0.2501851 0.3538152), wk = 0.0025381 k( 54) = ( 0.4416667 -0.2549964 0.3606193), wk = 0.0025381 k( 55) = ( 0.4500000 -0.2598076 0.3674235), wk = 0.0025381 k( 56) = ( 0.4583333 -0.2646189 0.3742276), wk = 0.0025381 k( 57) = ( 0.4666667 -0.2694301 0.3810317), wk = 0.0025381 k( 58) = ( 0.4750000 -0.2742414 0.3878359), wk = 0.0025381 k( 59) = ( 0.4833333 -0.2790526 0.3946400), wk = 0.0025381 k( 60) = ( 0.4916667 -0.2838639 0.4014442), wk = 0.0025381 k( 61) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0025381 k( 62) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0025381 k( 63) = ( 0.5000000 -0.2790526 0.4150524), wk = 0.0025381 k( 64) = ( 0.5000000 -0.2694301 0.4218566), wk = 0.0025381 k( 65) = ( 0.5000000 -0.2598076 0.4286607), wk = 0.0025381 k( 66) = ( 0.5000000 -0.2501851 0.4354648), wk = 0.0025381 k( 67) = ( 0.5000000 -0.2405626 0.4422690), wk = 0.0025381 k( 68) = ( 0.5000000 -0.2309401 0.4490731), wk = 0.0025381 k( 69) = ( 0.5000000 -0.2213176 0.4558773), wk = 0.0025381 k( 70) = ( 0.5000000 -0.2116951 0.4626814), wk = 0.0025381 k( 71) = ( 0.5000000 -0.2020726 0.4694855), wk = 0.0025381 k( 72) = ( 0.5000000 -0.1924501 0.4762897), wk = 0.0025381 k( 73) = ( 0.5000000 -0.1828276 0.4830938), wk = 0.0025381 k( 74) = ( 0.5000000 -0.1732051 0.4898979), wk = 0.0025381 k( 75) = ( 0.5000000 -0.1635826 0.4967021), wk = 0.0025381 k( 76) = ( 0.5000000 -0.1539601 0.5035062), wk = 0.0025381 k( 77) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0025381 k( 78) = ( 0.5000000 -0.1347151 0.5171145), wk = 0.0025381 k( 79) = ( 0.5000000 -0.1250926 0.5239186), wk = 0.0025381 k( 80) = ( 0.5000000 -0.1154701 0.5307228), wk = 0.0025381 k( 81) = ( 0.5000000 -0.1058476 0.5375269), wk = 0.0025381 k( 82) = ( 0.5000000 -0.0962250 0.5443311), wk = 0.0025381 k( 83) = ( 0.5000000 -0.0866025 0.5511352), wk = 0.0025381 k( 84) = ( 0.5000000 -0.0769800 0.5579393), wk = 0.0025381 k( 85) = ( 0.5000000 -0.0673575 0.5647435), wk = 0.0025381 k( 86) = ( 0.5000000 -0.0577350 0.5715476), wk = 0.0025381 k( 87) = ( 0.5000000 -0.0481125 0.5783517), wk = 0.0025381 k( 88) = ( 0.5000000 -0.0384900 0.5851559), wk = 0.0025381 k( 89) = ( 0.5000000 -0.0288675 0.5919600), wk = 0.0025381 k( 90) = ( 0.5000000 -0.0192450 0.5987642), wk = 0.0025381 k( 91) = ( 0.5000000 -0.0096225 0.6055683), wk = 0.0025381 k( 92) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0025381 k( 93) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0025381 k( 94) = ( 0.4940476 0.0103098 0.6123724), wk = 0.0025381 k( 95) = ( 0.4880952 0.0206196 0.6123724), wk = 0.0025381 k( 96) = ( 0.4821429 0.0309295 0.6123724), wk = 0.0025381 k( 97) = ( 0.4761905 0.0412393 0.6123724), wk = 0.0025381 k( 98) = ( 0.4702381 0.0515491 0.6123724), wk = 0.0025381 k( 99) = ( 0.4642857 0.0618590 0.6123724), wk = 0.0025381 k( 100) = ( 0.4583333 0.0721688 0.6123724), wk = 0.0025381 k( 101) = ( 0.4523810 0.0824786 0.6123724), wk = 0.0025381 k( 102) = ( 0.4464286 0.0927884 0.6123724), wk = 0.0025381 k( 103) = ( 0.4404762 0.1030983 0.6123724), wk = 0.0025381 k( 104) = ( 0.4345238 0.1134081 0.6123724), wk = 0.0025381 k( 105) = ( 0.4285714 0.1237179 0.6123724), wk = 0.0025381 k( 106) = ( 0.4226190 0.1340277 0.6123724), wk = 0.0025381 k( 107) = ( 0.4166667 0.1443376 0.6123724), wk = 0.0025381 k( 108) = ( 0.4107143 0.1546474 0.6123724), wk = 0.0025381 k( 109) = ( 0.4047619 0.1649572 0.6123724), wk = 0.0025381 k( 110) = ( 0.3988095 0.1752671 0.6123724), wk = 0.0025381 k( 111) = ( 0.3928571 0.1855769 0.6123724), wk = 0.0025381 k( 112) = ( 0.3869048 0.1958867 0.6123724), wk = 0.0025381 k( 113) = ( 0.3809524 0.2061965 0.6123724), wk = 0.0025381 k( 114) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0025381 k( 115) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0025381 k( 116) = ( 0.3690476 0.2130697 0.6026522), wk = 0.0025381 k( 117) = ( 0.3630952 0.2096331 0.5929320), wk = 0.0025381 k( 118) = ( 0.3571429 0.2061965 0.5832118), wk = 0.0025381 k( 119) = ( 0.3511905 0.2027599 0.5734916), wk = 0.0025381 k( 120) = ( 0.3452381 0.1993233 0.5637714), wk = 0.0025381 k( 121) = ( 0.3392857 0.1958867 0.5540513), wk = 0.0025381 k( 122) = ( 0.3333333 0.1924501 0.5443311), wk = 0.0025381 k( 123) = ( 0.3273810 0.1890135 0.5346109), wk = 0.0025381 k( 124) = ( 0.3214286 0.1855769 0.5248907), wk = 0.0025381 k( 125) = ( 0.3154762 0.1821403 0.5151705), wk = 0.0025381 k( 126) = ( 0.3095238 0.1787037 0.5054503), wk = 0.0025381 k( 127) = ( 0.3035714 0.1752670 0.4957301), wk = 0.0025381 k( 128) = ( 0.2976190 0.1718304 0.4860099), wk = 0.0025381 k( 129) = ( 0.2916667 0.1683938 0.4762897), wk = 0.0025381 k( 130) = ( 0.2857143 0.1649572 0.4665695), wk = 0.0025381 k( 131) = ( 0.2797619 0.1615206 0.4568493), wk = 0.0025381 k( 132) = ( 0.2738095 0.1580840 0.4471291), wk = 0.0025381 k( 133) = ( 0.2678571 0.1546474 0.4374089), wk = 0.0025381 k( 134) = ( 0.2619048 0.1512108 0.4276887), wk = 0.0025381 k( 135) = ( 0.2559524 0.1477742 0.4179685), wk = 0.0025381 k( 136) = ( 0.2500000 0.1443376 0.4082483), wk = 0.0025381 k( 137) = ( 0.2440476 0.1409010 0.3985281), wk = 0.0025381 k( 138) = ( 0.2380952 0.1374644 0.3888079), wk = 0.0025381 k( 139) = ( 0.2321429 0.1340277 0.3790877), wk = 0.0025381 k( 140) = ( 0.2261905 0.1305911 0.3693675), wk = 0.0025381 k( 141) = ( 0.2202381 0.1271545 0.3596473), wk = 0.0025381 k( 142) = ( 0.2142857 0.1237179 0.3499271), wk = 0.0025381 k( 143) = ( 0.2083333 0.1202813 0.3402069), wk = 0.0025381 k( 144) = ( 0.2023810 0.1168447 0.3304867), wk = 0.0025381 k( 145) = ( 0.1964286 0.1134081 0.3207665), wk = 0.0025381 k( 146) = ( 0.1904762 0.1099715 0.3110463), wk = 0.0025381 k( 147) = ( 0.1845238 0.1065349 0.3013261), wk = 0.0025381 k( 148) = ( 0.1785714 0.1030983 0.2916059), wk = 0.0025381 k( 149) = ( 0.1726190 0.0996617 0.2818857), wk = 0.0025381 k( 150) = ( 0.1666667 0.0962250 0.2721655), wk = 0.0025381 k( 151) = ( 0.1607143 0.0927884 0.2624453), wk = 0.0025381 k( 152) = ( 0.1547619 0.0893518 0.2527251), wk = 0.0025381 k( 153) = ( 0.1488095 0.0859152 0.2430049), wk = 0.0025381 k( 154) = ( 0.1428571 0.0824786 0.2332847), wk = 0.0025381 k( 155) = ( 0.1369048 0.0790420 0.2235645), wk = 0.0025381 k( 156) = ( 0.1309524 0.0756054 0.2138443), wk = 0.0025381 k( 157) = ( 0.1250000 0.0721688 0.2041241), wk = 0.0025381 k( 158) = ( 0.1190476 0.0687322 0.1944039), wk = 0.0025381 k( 159) = ( 0.1130952 0.0652956 0.1846838), wk = 0.0025381 k( 160) = ( 0.1071429 0.0618590 0.1749635), wk = 0.0025381 k( 161) = ( 0.1011905 0.0584224 0.1652433), wk = 0.0025381 k( 162) = ( 0.0952381 0.0549857 0.1555232), wk = 0.0025381 k( 163) = ( 0.0892857 0.0515491 0.1458030), wk = 0.0025381 k( 164) = ( 0.0833333 0.0481125 0.1360828), wk = 0.0025381 k( 165) = ( 0.0773810 0.0446759 0.1263626), wk = 0.0025381 k( 166) = ( 0.0714286 0.0412393 0.1166424), wk = 0.0025381 k( 167) = ( 0.0654762 0.0378027 0.1069222), wk = 0.0025381 k( 168) = ( 0.0595238 0.0343661 0.0972020), wk = 0.0025381 k( 169) = ( 0.0535714 0.0309295 0.0874818), wk = 0.0025381 k( 170) = ( 0.0476191 0.0274929 0.0777616), wk = 0.0025381 k( 171) = ( 0.0416667 0.0240563 0.0680414), wk = 0.0025381 k( 172) = ( 0.0357143 0.0206197 0.0583212), wk = 0.0025381 k( 173) = ( 0.0297619 0.0171830 0.0486010), wk = 0.0025381 k( 174) = ( 0.0238095 0.0137464 0.0388808), wk = 0.0025381 k( 175) = ( 0.0178571 0.0103098 0.0291606), wk = 0.0025381 k( 176) = ( 0.0119048 0.0068732 0.0194404), wk = 0.0025381 k( 177) = ( 0.0059524 0.0034366 0.0097202), wk = 0.0025381 k( 178) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025381 k( 179) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025381 k( 180) = ( 0.0096154 0.0055514 0.0039255), wk = 0.0025381 k( 181) = ( 0.0192308 0.0111029 0.0078509), wk = 0.0025381 k( 182) = ( 0.0288462 0.0166543 0.0117764), wk = 0.0025381 k( 183) = ( 0.0384615 0.0222058 0.0157019), wk = 0.0025381 k( 184) = ( 0.0480769 0.0277572 0.0196273), wk = 0.0025381 k( 185) = ( 0.0576923 0.0333087 0.0235528), wk = 0.0025381 k( 186) = ( 0.0673077 0.0388601 0.0274782), wk = 0.0025381 k( 187) = ( 0.0769231 0.0444116 0.0314037), wk = 0.0025381 k( 188) = ( 0.0865385 0.0499630 0.0353292), wk = 0.0025381 k( 189) = ( 0.0961538 0.0555145 0.0392546), wk = 0.0025381 k( 190) = ( 0.1057692 0.0610659 0.0431801), wk = 0.0025381 k( 191) = ( 0.1153846 0.0666173 0.0471056), wk = 0.0025381 k( 192) = ( 0.1250000 0.0721688 0.0510310), wk = 0.0025381 k( 193) = ( 0.1346154 0.0777202 0.0549565), wk = 0.0025381 k( 194) = ( 0.1442308 0.0832717 0.0588820), wk = 0.0025381 k( 195) = ( 0.1538461 0.0888231 0.0628074), wk = 0.0025381 k( 196) = ( 0.1634615 0.0943746 0.0667329), wk = 0.0025381 k( 197) = ( 0.1730769 0.0999260 0.0706584), wk = 0.0025381 k( 198) = ( 0.1826923 0.1054775 0.0745838), wk = 0.0025381 k( 199) = ( 0.1923077 0.1110289 0.0785093), wk = 0.0025381 k( 200) = ( 0.2019231 0.1165803 0.0824348), wk = 0.0025381 k( 201) = ( 0.2115385 0.1221318 0.0863602), wk = 0.0025381 k( 202) = ( 0.2211539 0.1276832 0.0902857), wk = 0.0025381 k( 203) = ( 0.2307692 0.1332347 0.0942111), wk = 0.0025381 k( 204) = ( 0.2403846 0.1387861 0.0981366), wk = 0.0025381 k( 205) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0025381 k( 206) = ( 0.2596154 0.1498890 0.1059875), wk = 0.0025381 k( 207) = ( 0.2692308 0.1554405 0.1099130), wk = 0.0025381 k( 208) = ( 0.2788462 0.1609919 0.1138385), wk = 0.0025381 k( 209) = ( 0.2884615 0.1665433 0.1177639), wk = 0.0025381 k( 210) = ( 0.2980769 0.1720948 0.1216894), wk = 0.0025381 k( 211) = ( 0.3076923 0.1776462 0.1256149), wk = 0.0025381 k( 212) = ( 0.3173077 0.1831977 0.1295403), wk = 0.0025381 k( 213) = ( 0.3269231 0.1887491 0.1334658), wk = 0.0025381 k( 214) = ( 0.3365385 0.1943006 0.1373913), wk = 0.0025381 k( 215) = ( 0.3461538 0.1998520 0.1413167), wk = 0.0025381 k( 216) = ( 0.3557692 0.2054035 0.1452422), wk = 0.0025381 k( 217) = ( 0.3653846 0.2109549 0.1491676), wk = 0.0025381 k( 218) = ( 0.3750000 0.2165064 0.1530931), wk = 0.0025381 k( 219) = ( 0.3846154 0.2220578 0.1570186), wk = 0.0025381 k( 220) = ( 0.3942308 0.2276092 0.1609440), wk = 0.0025381 k( 221) = ( 0.4038462 0.2331607 0.1648695), wk = 0.0025381 k( 222) = ( 0.4134615 0.2387121 0.1687950), wk = 0.0025381 k( 223) = ( 0.4230769 0.2442636 0.1727204), wk = 0.0025381 k( 224) = ( 0.4326923 0.2498150 0.1766459), wk = 0.0025381 k( 225) = ( 0.4423077 0.2553665 0.1805714), wk = 0.0025381 k( 226) = ( 0.4519231 0.2609179 0.1844968), wk = 0.0025381 k( 227) = ( 0.4615385 0.2664694 0.1884223), wk = 0.0025381 k( 228) = ( 0.4711538 0.2720208 0.1923478), wk = 0.0025381 k( 229) = ( 0.4807692 0.2775722 0.1962732), wk = 0.0025381 k( 230) = ( 0.4903846 0.2831237 0.2001987), wk = 0.0025381 k( 231) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0025381 k( 232) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0025381 k( 233) = ( 0.5033784 0.2789226 0.2096410), wk = 0.0025381 k( 234) = ( 0.5067568 0.2691701 0.2151579), wk = 0.0025381 k( 235) = ( 0.5101351 0.2594175 0.2206748), wk = 0.0025381 k( 236) = ( 0.5135135 0.2496650 0.2261916), wk = 0.0025381 k( 237) = ( 0.5168919 0.2399124 0.2317085), wk = 0.0025381 k( 238) = ( 0.5202703 0.2301599 0.2372254), wk = 0.0025381 k( 239) = ( 0.5236487 0.2204074 0.2427422), wk = 0.0025381 k( 240) = ( 0.5270270 0.2106548 0.2482591), wk = 0.0025381 k( 241) = ( 0.5304054 0.2009023 0.2537760), wk = 0.0025381 k( 242) = ( 0.5337838 0.1911498 0.2592928), wk = 0.0025381 k( 243) = ( 0.5371622 0.1813972 0.2648097), wk = 0.0025381 k( 244) = ( 0.5405405 0.1716447 0.2703266), wk = 0.0025381 k( 245) = ( 0.5439189 0.1618921 0.2758434), wk = 0.0025381 k( 246) = ( 0.5472973 0.1521396 0.2813603), wk = 0.0025381 k( 247) = ( 0.5506757 0.1423871 0.2868772), wk = 0.0025381 k( 248) = ( 0.5540540 0.1326345 0.2923940), wk = 0.0025381 k( 249) = ( 0.5574324 0.1228820 0.2979109), wk = 0.0025381 k( 250) = ( 0.5608108 0.1131294 0.3034278), wk = 0.0025381 k( 251) = ( 0.5641892 0.1033769 0.3089447), wk = 0.0025381 k( 252) = ( 0.5675676 0.0936244 0.3144615), wk = 0.0025381 k( 253) = ( 0.5709460 0.0838718 0.3199784), wk = 0.0025381 k( 254) = ( 0.5743243 0.0741193 0.3254953), wk = 0.0025381 k( 255) = ( 0.5777027 0.0643667 0.3310121), wk = 0.0025381 k( 256) = ( 0.5810811 0.0546142 0.3365290), wk = 0.0025381 k( 257) = ( 0.5844595 0.0448617 0.3420459), wk = 0.0025381 k( 258) = ( 0.5878378 0.0351091 0.3475627), wk = 0.0025381 k( 259) = ( 0.5912162 0.0253566 0.3530796), wk = 0.0025381 k( 260) = ( 0.5945946 0.0156041 0.3585965), wk = 0.0025381 k( 261) = ( 0.5979730 0.0058515 0.3641133), wk = 0.0025381 k( 262) = ( 0.6013513 -0.0039010 0.3696302), wk = 0.0025381 k( 263) = ( 0.6047297 -0.0136536 0.3751471), wk = 0.0025381 k( 264) = ( 0.6081081 -0.0234061 0.3806639), wk = 0.0025381 k( 265) = ( 0.6114865 -0.0331586 0.3861808), wk = 0.0025381 k( 266) = ( 0.6148649 -0.0429112 0.3916977), wk = 0.0025381 k( 267) = ( 0.6182432 -0.0526637 0.3972146), wk = 0.0025381 k( 268) = ( 0.6216216 -0.0624162 0.4027314), wk = 0.0025381 k( 269) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0025381 k( 270) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0025381 k( 271) = ( 0.6190476 -0.0687322 0.4179685), wk = 0.0025381 k( 272) = ( 0.6130952 -0.0652956 0.4276887), wk = 0.0025381 k( 273) = ( 0.6071429 -0.0618590 0.4374089), wk = 0.0025381 k( 274) = ( 0.6011905 -0.0584224 0.4471291), wk = 0.0025381 k( 275) = ( 0.5952381 -0.0549857 0.4568493), wk = 0.0025381 k( 276) = ( 0.5892857 -0.0515491 0.4665695), wk = 0.0025381 k( 277) = ( 0.5833333 -0.0481125 0.4762897), wk = 0.0025381 k( 278) = ( 0.5773810 -0.0446759 0.4860099), wk = 0.0025381 k( 279) = ( 0.5714286 -0.0412393 0.4957301), wk = 0.0025381 k( 280) = ( 0.5654762 -0.0378027 0.5054503), wk = 0.0025381 k( 281) = ( 0.5595238 -0.0343661 0.5151705), wk = 0.0025381 k( 282) = ( 0.5535714 -0.0309295 0.5248907), wk = 0.0025381 k( 283) = ( 0.5476190 -0.0274929 0.5346109), wk = 0.0025381 k( 284) = ( 0.5416667 -0.0240563 0.5443310), wk = 0.0025381 k( 285) = ( 0.5357143 -0.0206197 0.5540512), wk = 0.0025381 k( 286) = ( 0.5297619 -0.0171830 0.5637715), wk = 0.0025381 k( 287) = ( 0.5238095 -0.0137464 0.5734917), wk = 0.0025381 k( 288) = ( 0.5178571 -0.0103098 0.5832118), wk = 0.0025381 k( 289) = ( 0.5119048 -0.0068732 0.5929320), wk = 0.0025381 k( 290) = ( 0.5059524 -0.0034366 0.6026522), wk = 0.0025381 k( 291) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0025381 k( 292) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0025381 k( 293) = ( 0.5000000 0.0068732 0.6026522), wk = 0.0025381 k( 294) = ( 0.5000000 0.0137464 0.5929320), wk = 0.0025381 k( 295) = ( 0.5000000 0.0206196 0.5832118), wk = 0.0025381 k( 296) = ( 0.5000000 0.0274929 0.5734917), wk = 0.0025381 k( 297) = ( 0.5000000 0.0343661 0.5637715), wk = 0.0025381 k( 298) = ( 0.5000000 0.0412393 0.5540512), wk = 0.0025381 k( 299) = ( 0.5000000 0.0481125 0.5443310), wk = 0.0025381 k( 300) = ( 0.5000000 0.0549857 0.5346109), wk = 0.0025381 k( 301) = ( 0.5000000 0.0618590 0.5248907), wk = 0.0025381 k( 302) = ( 0.5000000 0.0687322 0.5151705), wk = 0.0025381 k( 303) = ( 0.5000000 0.0756054 0.5054503), wk = 0.0025381 k( 304) = ( 0.5000000 0.0824786 0.4957301), wk = 0.0025381 k( 305) = ( 0.5000000 0.0893518 0.4860099), wk = 0.0025381 k( 306) = ( 0.5000000 0.0962250 0.4762897), wk = 0.0025381 k( 307) = ( 0.5000000 0.1030983 0.4665695), wk = 0.0025381 k( 308) = ( 0.5000000 0.1099715 0.4568493), wk = 0.0025381 k( 309) = ( 0.5000000 0.1168447 0.4471291), wk = 0.0025381 k( 310) = ( 0.5000000 0.1237179 0.4374089), wk = 0.0025381 k( 311) = ( 0.5000000 0.1305911 0.4276887), wk = 0.0025381 k( 312) = ( 0.5000000 0.1374644 0.4179685), wk = 0.0025381 k( 313) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0025381 k( 314) = ( 0.5000000 0.1512108 0.3985281), wk = 0.0025381 k( 315) = ( 0.5000000 0.1580840 0.3888079), wk = 0.0025381 k( 316) = ( 0.5000000 0.1649572 0.3790877), wk = 0.0025381 k( 317) = ( 0.5000000 0.1718304 0.3693675), wk = 0.0025381 k( 318) = ( 0.5000000 0.1787036 0.3596473), wk = 0.0025381 k( 319) = ( 0.5000000 0.1855769 0.3499271), wk = 0.0025381 k( 320) = ( 0.5000000 0.1924501 0.3402069), wk = 0.0025381 k( 321) = ( 0.5000000 0.1993233 0.3304867), wk = 0.0025381 k( 322) = ( 0.5000000 0.2061965 0.3207665), wk = 0.0025381 k( 323) = ( 0.5000000 0.2130697 0.3110463), wk = 0.0025381 k( 324) = ( 0.5000000 0.2199430 0.3013261), wk = 0.0025381 k( 325) = ( 0.5000000 0.2268162 0.2916059), wk = 0.0025381 k( 326) = ( 0.5000000 0.2336894 0.2818857), wk = 0.0025381 k( 327) = ( 0.5000000 0.2405626 0.2721655), wk = 0.0025381 k( 328) = ( 0.5000000 0.2474358 0.2624453), wk = 0.0025381 k( 329) = ( 0.5000000 0.2543091 0.2527251), wk = 0.0025381 k( 330) = ( 0.5000000 0.2611823 0.2430049), wk = 0.0025381 k( 331) = ( 0.5000000 0.2680555 0.2332847), wk = 0.0025381 k( 332) = ( 0.5000000 0.2749287 0.2235645), wk = 0.0025381 k( 333) = ( 0.5000000 0.2818019 0.2138443), wk = 0.0025381 k( 334) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0025381 k( 335) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0025381 k( 336) = ( 0.4966216 0.2867246 0.2151579), wk = 0.0025381 k( 337) = ( 0.4932432 0.2847741 0.2261916), wk = 0.0025381 k( 338) = ( 0.4898649 0.2828236 0.2372254), wk = 0.0025381 k( 339) = ( 0.4864865 0.2808731 0.2482591), wk = 0.0025381 k( 340) = ( 0.4831081 0.2789226 0.2592928), wk = 0.0025381 k( 341) = ( 0.4797297 0.2769721 0.2703266), wk = 0.0025381 k( 342) = ( 0.4763514 0.2750216 0.2813603), wk = 0.0025381 k( 343) = ( 0.4729730 0.2730711 0.2923940), wk = 0.0025381 k( 344) = ( 0.4695946 0.2711206 0.3034278), wk = 0.0025381 k( 345) = ( 0.4662162 0.2691701 0.3144615), wk = 0.0025381 k( 346) = ( 0.4628378 0.2672196 0.3254953), wk = 0.0025381 k( 347) = ( 0.4594595 0.2652690 0.3365290), wk = 0.0025381 k( 348) = ( 0.4560811 0.2633185 0.3475627), wk = 0.0025381 k( 349) = ( 0.4527027 0.2613680 0.3585965), wk = 0.0025381 k( 350) = ( 0.4493243 0.2594175 0.3696302), wk = 0.0025381 k( 351) = ( 0.4459459 0.2574670 0.3806639), wk = 0.0025381 k( 352) = ( 0.4425676 0.2555165 0.3916977), wk = 0.0025381 k( 353) = ( 0.4391892 0.2535660 0.4027314), wk = 0.0025381 k( 354) = ( 0.4358108 0.2516155 0.4137652), wk = 0.0025381 k( 355) = ( 0.4324324 0.2496650 0.4247989), wk = 0.0025381 k( 356) = ( 0.4290541 0.2477145 0.4358326), wk = 0.0025381 k( 357) = ( 0.4256757 0.2457640 0.4468664), wk = 0.0025381 k( 358) = ( 0.4222973 0.2438135 0.4579001), wk = 0.0025381 k( 359) = ( 0.4189189 0.2418630 0.4689338), wk = 0.0025381 k( 360) = ( 0.4155405 0.2399124 0.4799676), wk = 0.0025381 k( 361) = ( 0.4121622 0.2379619 0.4910013), wk = 0.0025381 k( 362) = ( 0.4087838 0.2360114 0.5020351), wk = 0.0025381 k( 363) = ( 0.4054054 0.2340609 0.5130688), wk = 0.0025381 k( 364) = ( 0.4020270 0.2321104 0.5241025), wk = 0.0025381 k( 365) = ( 0.3986486 0.2301599 0.5351363), wk = 0.0025381 k( 366) = ( 0.3952703 0.2282094 0.5461700), wk = 0.0025381 k( 367) = ( 0.3918919 0.2262589 0.5572038), wk = 0.0025381 k( 368) = ( 0.3885135 0.2243084 0.5682375), wk = 0.0025381 k( 369) = ( 0.3851351 0.2223579 0.5792712), wk = 0.0025381 k( 370) = ( 0.3817568 0.2204074 0.5903050), wk = 0.0025381 k( 371) = ( 0.3783784 0.2184569 0.6013387), wk = 0.0025381 k( 372) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0025381 k( 373) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0025381 k( 374) = ( 0.6190476 -0.0824786 0.4082483), wk = 0.0025381 k( 375) = ( 0.6130952 -0.0927884 0.4082483), wk = 0.0025381 k( 376) = ( 0.6071429 -0.1030983 0.4082483), wk = 0.0025381 k( 377) = ( 0.6011905 -0.1134081 0.4082483), wk = 0.0025381 k( 378) = ( 0.5952381 -0.1237179 0.4082483), wk = 0.0025381 k( 379) = ( 0.5892857 -0.1340277 0.4082483), wk = 0.0025381 k( 380) = ( 0.5833333 -0.1443376 0.4082483), wk = 0.0025381 k( 381) = ( 0.5773810 -0.1546474 0.4082483), wk = 0.0025381 k( 382) = ( 0.5714286 -0.1649572 0.4082483), wk = 0.0025381 k( 383) = ( 0.5654762 -0.1752670 0.4082483), wk = 0.0025381 k( 384) = ( 0.5595238 -0.1855769 0.4082483), wk = 0.0025381 k( 385) = ( 0.5535714 -0.1958867 0.4082483), wk = 0.0025381 k( 386) = ( 0.5476190 -0.2061965 0.4082483), wk = 0.0025381 k( 387) = ( 0.5416667 -0.2165064 0.4082483), wk = 0.0025381 k( 388) = ( 0.5357143 -0.2268162 0.4082483), wk = 0.0025381 k( 389) = ( 0.5297619 -0.2371260 0.4082483), wk = 0.0025381 k( 390) = ( 0.5238095 -0.2474358 0.4082483), wk = 0.0025381 k( 391) = ( 0.5178571 -0.2577456 0.4082483), wk = 0.0025381 k( 392) = ( 0.5119048 -0.2680555 0.4082483), wk = 0.0025381 k( 393) = ( 0.5059524 -0.2783653 0.4082483), wk = 0.0025381 k( 394) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0025381 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025381 k( 2) = ( 0.0083333 0.0000000 0.0083333), wk = 0.0025381 k( 3) = ( 0.0166667 0.0000000 0.0166667), wk = 0.0025381 k( 4) = ( 0.0250000 0.0000000 0.0250000), wk = 0.0025381 k( 5) = ( 0.0333333 0.0000000 0.0333333), wk = 0.0025381 k( 6) = ( 0.0416667 0.0000000 0.0416667), wk = 0.0025381 k( 7) = ( 0.0500000 0.0000000 0.0500000), wk = 0.0025381 k( 8) = ( 0.0583333 0.0000000 0.0583333), wk = 0.0025381 k( 9) = ( 0.0666667 0.0000000 0.0666667), wk = 0.0025381 k( 10) = ( 0.0750000 0.0000000 0.0750000), wk = 0.0025381 k( 11) = ( 0.0833333 0.0000000 0.0833333), wk = 0.0025381 k( 12) = ( 0.0916667 0.0000000 0.0916667), wk = 0.0025381 k( 13) = ( 0.1000000 0.0000000 0.1000000), wk = 0.0025381 k( 14) = ( 0.1083333 0.0000000 0.1083333), wk = 0.0025381 k( 15) = ( 0.1166667 0.0000000 0.1166667), wk = 0.0025381 k( 16) = ( 0.1250000 0.0000000 0.1250000), wk = 0.0025381 k( 17) = ( 0.1333333 0.0000000 0.1333333), wk = 0.0025381 k( 18) = ( 0.1416667 0.0000000 0.1416667), wk = 0.0025381 k( 19) = ( 0.1500000 0.0000000 0.1500000), wk = 0.0025381 k( 20) = ( 0.1583333 0.0000000 0.1583333), wk = 0.0025381 k( 21) = ( 0.1666667 0.0000000 0.1666667), wk = 0.0025381 k( 22) = ( 0.1750000 0.0000000 0.1750000), wk = 0.0025381 k( 23) = ( 0.1833333 0.0000000 0.1833333), wk = 0.0025381 k( 24) = ( 0.1916667 0.0000000 0.1916667), wk = 0.0025381 k( 25) = ( 0.2000000 0.0000000 0.2000000), wk = 0.0025381 k( 26) = ( 0.2083333 0.0000000 0.2083333), wk = 0.0025381 k( 27) = ( 0.2166667 0.0000000 0.2166667), wk = 0.0025381 k( 28) = ( 0.2250000 0.0000000 0.2250000), wk = 0.0025381 k( 29) = ( 0.2333333 0.0000000 0.2333333), wk = 0.0025381 k( 30) = ( 0.2416667 0.0000000 0.2416667), wk = 0.0025381 k( 31) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0025381 k( 32) = ( 0.2583333 0.0000000 0.2583333), wk = 0.0025381 k( 33) = ( 0.2666667 0.0000000 0.2666667), wk = 0.0025381 k( 34) = ( 0.2750000 0.0000000 0.2750000), wk = 0.0025381 k( 35) = ( 0.2833333 0.0000000 0.2833333), wk = 0.0025381 k( 36) = ( 0.2916667 0.0000000 0.2916667), wk = 0.0025381 k( 37) = ( 0.3000000 0.0000000 0.3000000), wk = 0.0025381 k( 38) = ( 0.3083333 0.0000000 0.3083333), wk = 0.0025381 k( 39) = ( 0.3166667 0.0000000 0.3166667), wk = 0.0025381 k( 40) = ( 0.3250000 0.0000000 0.3250000), wk = 0.0025381 k( 41) = ( 0.3333333 0.0000000 0.3333333), wk = 0.0025381 k( 42) = ( 0.3416667 0.0000000 0.3416667), wk = 0.0025381 k( 43) = ( 0.3500000 0.0000000 0.3500000), wk = 0.0025381 k( 44) = ( 0.3583333 0.0000000 0.3583333), wk = 0.0025381 k( 45) = ( 0.3666667 0.0000000 0.3666667), wk = 0.0025381 k( 46) = ( 0.3750000 0.0000000 0.3750000), wk = 0.0025381 k( 47) = ( 0.3833333 0.0000000 0.3833333), wk = 0.0025381 k( 48) = ( 0.3916667 0.0000000 0.3916667), wk = 0.0025381 k( 49) = ( 0.4000000 0.0000000 0.4000000), wk = 0.0025381 k( 50) = ( 0.4083333 0.0000000 0.4083333), wk = 0.0025381 k( 51) = ( 0.4166667 0.0000000 0.4166667), wk = 0.0025381 k( 52) = ( 0.4250000 0.0000000 0.4250000), wk = 0.0025381 k( 53) = ( 0.4333333 0.0000000 0.4333333), wk = 0.0025381 k( 54) = ( 0.4416667 0.0000000 0.4416667), wk = 0.0025381 k( 55) = ( 0.4500000 0.0000000 0.4500000), wk = 0.0025381 k( 56) = ( 0.4583333 0.0000000 0.4583333), wk = 0.0025381 k( 57) = ( 0.4666667 0.0000000 0.4666667), wk = 0.0025381 k( 58) = ( 0.4750000 0.0000000 0.4750000), wk = 0.0025381 k( 59) = ( 0.4833333 0.0000000 0.4833333), wk = 0.0025381 k( 60) = ( 0.4916667 0.0000000 0.4916667), wk = 0.0025381 k( 61) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025381 k( 62) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025381 k( 63) = ( 0.5000000 0.0083333 0.5083333), wk = 0.0025381 k( 64) = ( 0.5000000 0.0166667 0.5166667), wk = 0.0025381 k( 65) = ( 0.5000000 0.0250000 0.5250000), wk = 0.0025381 k( 66) = ( 0.5000000 0.0333333 0.5333333), wk = 0.0025381 k( 67) = ( 0.5000000 0.0416667 0.5416667), wk = 0.0025381 k( 68) = ( 0.5000000 0.0500000 0.5500000), wk = 0.0025381 k( 69) = ( 0.5000000 0.0583333 0.5583333), wk = 0.0025381 k( 70) = ( 0.5000000 0.0666667 0.5666667), wk = 0.0025381 k( 71) = ( 0.5000000 0.0750000 0.5750000), wk = 0.0025381 k( 72) = ( 0.5000000 0.0833333 0.5833333), wk = 0.0025381 k( 73) = ( 0.5000000 0.0916667 0.5916667), wk = 0.0025381 k( 74) = ( 0.5000000 0.1000000 0.6000000), wk = 0.0025381 k( 75) = ( 0.5000000 0.1083333 0.6083333), wk = 0.0025381 k( 76) = ( 0.5000000 0.1166667 0.6166667), wk = 0.0025381 k( 77) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0025381 k( 78) = ( 0.5000000 0.1333333 0.6333333), wk = 0.0025381 k( 79) = ( 0.5000000 0.1416667 0.6416667), wk = 0.0025381 k( 80) = ( 0.5000000 0.1500000 0.6500000), wk = 0.0025381 k( 81) = ( 0.5000000 0.1583333 0.6583333), wk = 0.0025381 k( 82) = ( 0.5000000 0.1666667 0.6666667), wk = 0.0025381 k( 83) = ( 0.5000000 0.1750000 0.6750000), wk = 0.0025381 k( 84) = ( 0.5000000 0.1833333 0.6833333), wk = 0.0025381 k( 85) = ( 0.5000000 0.1916667 0.6916667), wk = 0.0025381 k( 86) = ( 0.5000000 0.2000000 0.7000000), wk = 0.0025381 k( 87) = ( 0.5000000 0.2083333 0.7083333), wk = 0.0025381 k( 88) = ( 0.5000000 0.2166667 0.7166667), wk = 0.0025381 k( 89) = ( 0.5000000 0.2250000 0.7250000), wk = 0.0025381 k( 90) = ( 0.5000000 0.2333333 0.7333333), wk = 0.0025381 k( 91) = ( 0.5000000 0.2416667 0.7416667), wk = 0.0025381 k( 92) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0025381 k( 93) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0025381 k( 94) = ( 0.4940476 0.2559524 0.7500000), wk = 0.0025381 k( 95) = ( 0.4880952 0.2619048 0.7500000), wk = 0.0025381 k( 96) = ( 0.4821429 0.2678571 0.7500000), wk = 0.0025381 k( 97) = ( 0.4761905 0.2738095 0.7500000), wk = 0.0025381 k( 98) = ( 0.4702381 0.2797619 0.7500000), wk = 0.0025381 k( 99) = ( 0.4642857 0.2857143 0.7500000), wk = 0.0025381 k( 100) = ( 0.4583333 0.2916667 0.7500000), wk = 0.0025381 k( 101) = ( 0.4523810 0.2976190 0.7500000), wk = 0.0025381 k( 102) = ( 0.4464286 0.3035714 0.7500000), wk = 0.0025381 k( 103) = ( 0.4404762 0.3095238 0.7500000), wk = 0.0025381 k( 104) = ( 0.4345238 0.3154762 0.7500000), wk = 0.0025381 k( 105) = ( 0.4285714 0.3214286 0.7500000), wk = 0.0025381 k( 106) = ( 0.4226190 0.3273810 0.7500000), wk = 0.0025381 k( 107) = ( 0.4166667 0.3333333 0.7500000), wk = 0.0025381 k( 108) = ( 0.4107143 0.3392857 0.7500000), wk = 0.0025381 k( 109) = ( 0.4047619 0.3452381 0.7500000), wk = 0.0025381 k( 110) = ( 0.3988095 0.3511905 0.7500000), wk = 0.0025381 k( 111) = ( 0.3928571 0.3571429 0.7500000), wk = 0.0025381 k( 112) = ( 0.3869048 0.3630952 0.7500000), wk = 0.0025381 k( 113) = ( 0.3809524 0.3690476 0.7500000), wk = 0.0025381 k( 114) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0025381 k( 115) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0025381 k( 116) = ( 0.3690476 0.3690476 0.7380952), wk = 0.0025381 k( 117) = ( 0.3630952 0.3630952 0.7261905), wk = 0.0025381 k( 118) = ( 0.3571429 0.3571429 0.7142857), wk = 0.0025381 k( 119) = ( 0.3511905 0.3511905 0.7023810), wk = 0.0025381 k( 120) = ( 0.3452381 0.3452381 0.6904762), wk = 0.0025381 k( 121) = ( 0.3392857 0.3392857 0.6785714), wk = 0.0025381 k( 122) = ( 0.3333333 0.3333333 0.6666667), wk = 0.0025381 k( 123) = ( 0.3273810 0.3273810 0.6547619), wk = 0.0025381 k( 124) = ( 0.3214286 0.3214286 0.6428571), wk = 0.0025381 k( 125) = ( 0.3154762 0.3154762 0.6309524), wk = 0.0025381 k( 126) = ( 0.3095238 0.3095238 0.6190476), wk = 0.0025381 k( 127) = ( 0.3035714 0.3035714 0.6071429), wk = 0.0025381 k( 128) = ( 0.2976190 0.2976190 0.5952381), wk = 0.0025381 k( 129) = ( 0.2916667 0.2916667 0.5833333), wk = 0.0025381 k( 130) = ( 0.2857143 0.2857143 0.5714286), wk = 0.0025381 k( 131) = ( 0.2797619 0.2797619 0.5595238), wk = 0.0025381 k( 132) = ( 0.2738095 0.2738095 0.5476190), wk = 0.0025381 k( 133) = ( 0.2678571 0.2678571 0.5357143), wk = 0.0025381 k( 134) = ( 0.2619048 0.2619048 0.5238095), wk = 0.0025381 k( 135) = ( 0.2559524 0.2559524 0.5119048), wk = 0.0025381 k( 136) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0025381 k( 137) = ( 0.2440476 0.2440476 0.4880952), wk = 0.0025381 k( 138) = ( 0.2380952 0.2380952 0.4761905), wk = 0.0025381 k( 139) = ( 0.2321429 0.2321429 0.4642857), wk = 0.0025381 k( 140) = ( 0.2261905 0.2261905 0.4523810), wk = 0.0025381 k( 141) = ( 0.2202381 0.2202381 0.4404762), wk = 0.0025381 k( 142) = ( 0.2142857 0.2142857 0.4285714), wk = 0.0025381 k( 143) = ( 0.2083333 0.2083333 0.4166667), wk = 0.0025381 k( 144) = ( 0.2023810 0.2023810 0.4047619), wk = 0.0025381 k( 145) = ( 0.1964286 0.1964286 0.3928571), wk = 0.0025381 k( 146) = ( 0.1904762 0.1904762 0.3809524), wk = 0.0025381 k( 147) = ( 0.1845238 0.1845238 0.3690476), wk = 0.0025381 k( 148) = ( 0.1785714 0.1785714 0.3571429), wk = 0.0025381 k( 149) = ( 0.1726190 0.1726190 0.3452381), wk = 0.0025381 k( 150) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0025381 k( 151) = ( 0.1607143 0.1607143 0.3214286), wk = 0.0025381 k( 152) = ( 0.1547619 0.1547619 0.3095238), wk = 0.0025381 k( 153) = ( 0.1488095 0.1488095 0.2976190), wk = 0.0025381 k( 154) = ( 0.1428571 0.1428571 0.2857143), wk = 0.0025381 k( 155) = ( 0.1369048 0.1369048 0.2738095), wk = 0.0025381 k( 156) = ( 0.1309524 0.1309524 0.2619048), wk = 0.0025381 k( 157) = ( 0.1250000 0.1250000 0.2500000), wk = 0.0025381 k( 158) = ( 0.1190476 0.1190476 0.2380952), wk = 0.0025381 k( 159) = ( 0.1130952 0.1130952 0.2261905), wk = 0.0025381 k( 160) = ( 0.1071429 0.1071429 0.2142857), wk = 0.0025381 k( 161) = ( 0.1011905 0.1011905 0.2023810), wk = 0.0025381 k( 162) = ( 0.0952381 0.0952381 0.1904762), wk = 0.0025381 k( 163) = ( 0.0892857 0.0892857 0.1785714), wk = 0.0025381 k( 164) = ( 0.0833333 0.0833333 0.1666667), wk = 0.0025381 k( 165) = ( 0.0773810 0.0773810 0.1547619), wk = 0.0025381 k( 166) = ( 0.0714286 0.0714286 0.1428571), wk = 0.0025381 k( 167) = ( 0.0654762 0.0654762 0.1309524), wk = 0.0025381 k( 168) = ( 0.0595238 0.0595238 0.1190476), wk = 0.0025381 k( 169) = ( 0.0535714 0.0535714 0.1071429), wk = 0.0025381 k( 170) = ( 0.0476191 0.0476191 0.0952381), wk = 0.0025381 k( 171) = ( 0.0416667 0.0416667 0.0833333), wk = 0.0025381 k( 172) = ( 0.0357143 0.0357143 0.0714286), wk = 0.0025381 k( 173) = ( 0.0297619 0.0297619 0.0595238), wk = 0.0025381 k( 174) = ( 0.0238095 0.0238095 0.0476191), wk = 0.0025381 k( 175) = ( 0.0178571 0.0178571 0.0357143), wk = 0.0025381 k( 176) = ( 0.0119048 0.0119048 0.0238095), wk = 0.0025381 k( 177) = ( 0.0059524 0.0059524 0.0119048), wk = 0.0025381 k( 178) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025381 k( 179) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025381 k( 180) = ( 0.0096154 0.0096154 0.0096154), wk = 0.0025381 k( 181) = ( 0.0192308 0.0192308 0.0192308), wk = 0.0025381 k( 182) = ( 0.0288462 0.0288462 0.0288462), wk = 0.0025381 k( 183) = ( 0.0384615 0.0384615 0.0384615), wk = 0.0025381 k( 184) = ( 0.0480769 0.0480769 0.0480769), wk = 0.0025381 k( 185) = ( 0.0576923 0.0576923 0.0576923), wk = 0.0025381 k( 186) = ( 0.0673077 0.0673077 0.0673077), wk = 0.0025381 k( 187) = ( 0.0769231 0.0769231 0.0769231), wk = 0.0025381 k( 188) = ( 0.0865385 0.0865385 0.0865385), wk = 0.0025381 k( 189) = ( 0.0961538 0.0961538 0.0961538), wk = 0.0025381 k( 190) = ( 0.1057692 0.1057692 0.1057692), wk = 0.0025381 k( 191) = ( 0.1153846 0.1153846 0.1153846), wk = 0.0025381 k( 192) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0025381 k( 193) = ( 0.1346154 0.1346154 0.1346154), wk = 0.0025381 k( 194) = ( 0.1442308 0.1442308 0.1442308), wk = 0.0025381 k( 195) = ( 0.1538461 0.1538461 0.1538462), wk = 0.0025381 k( 196) = ( 0.1634615 0.1634615 0.1634615), wk = 0.0025381 k( 197) = ( 0.1730769 0.1730769 0.1730769), wk = 0.0025381 k( 198) = ( 0.1826923 0.1826923 0.1826923), wk = 0.0025381 k( 199) = ( 0.1923077 0.1923077 0.1923077), wk = 0.0025381 k( 200) = ( 0.2019231 0.2019231 0.2019231), wk = 0.0025381 k( 201) = ( 0.2115385 0.2115385 0.2115385), wk = 0.0025381 k( 202) = ( 0.2211539 0.2211539 0.2211539), wk = 0.0025381 k( 203) = ( 0.2307692 0.2307692 0.2307692), wk = 0.0025381 k( 204) = ( 0.2403846 0.2403846 0.2403846), wk = 0.0025381 k( 205) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0025381 k( 206) = ( 0.2596154 0.2596154 0.2596154), wk = 0.0025381 k( 207) = ( 0.2692308 0.2692308 0.2692308), wk = 0.0025381 k( 208) = ( 0.2788462 0.2788462 0.2788462), wk = 0.0025381 k( 209) = ( 0.2884615 0.2884615 0.2884615), wk = 0.0025381 k( 210) = ( 0.2980769 0.2980769 0.2980769), wk = 0.0025381 k( 211) = ( 0.3076923 0.3076923 0.3076923), wk = 0.0025381 k( 212) = ( 0.3173077 0.3173077 0.3173077), wk = 0.0025381 k( 213) = ( 0.3269231 0.3269231 0.3269231), wk = 0.0025381 k( 214) = ( 0.3365385 0.3365385 0.3365385), wk = 0.0025381 k( 215) = ( 0.3461538 0.3461538 0.3461538), wk = 0.0025381 k( 216) = ( 0.3557692 0.3557692 0.3557692), wk = 0.0025381 k( 217) = ( 0.3653846 0.3653846 0.3653846), wk = 0.0025381 k( 218) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0025381 k( 219) = ( 0.3846154 0.3846154 0.3846154), wk = 0.0025381 k( 220) = ( 0.3942308 0.3942308 0.3942308), wk = 0.0025381 k( 221) = ( 0.4038462 0.4038462 0.4038462), wk = 0.0025381 k( 222) = ( 0.4134615 0.4134615 0.4134615), wk = 0.0025381 k( 223) = ( 0.4230769 0.4230769 0.4230769), wk = 0.0025381 k( 224) = ( 0.4326923 0.4326923 0.4326923), wk = 0.0025381 k( 225) = ( 0.4423077 0.4423077 0.4423077), wk = 0.0025381 k( 226) = ( 0.4519231 0.4519231 0.4519231), wk = 0.0025381 k( 227) = ( 0.4615385 0.4615385 0.4615385), wk = 0.0025381 k( 228) = ( 0.4711538 0.4711538 0.4711538), wk = 0.0025381 k( 229) = ( 0.4807692 0.4807692 0.4807692), wk = 0.0025381 k( 230) = ( 0.4903846 0.4903846 0.4903846), wk = 0.0025381 k( 231) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025381 k( 232) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025381 k( 233) = ( 0.5033784 0.4932432 0.5033784), wk = 0.0025381 k( 234) = ( 0.5067568 0.4864865 0.5067568), wk = 0.0025381 k( 235) = ( 0.5101351 0.4797297 0.5101351), wk = 0.0025381 k( 236) = ( 0.5135135 0.4729730 0.5135135), wk = 0.0025381 k( 237) = ( 0.5168919 0.4662162 0.5168919), wk = 0.0025381 k( 238) = ( 0.5202703 0.4594595 0.5202703), wk = 0.0025381 k( 239) = ( 0.5236487 0.4527027 0.5236487), wk = 0.0025381 k( 240) = ( 0.5270270 0.4459459 0.5270270), wk = 0.0025381 k( 241) = ( 0.5304054 0.4391892 0.5304054), wk = 0.0025381 k( 242) = ( 0.5337838 0.4324324 0.5337838), wk = 0.0025381 k( 243) = ( 0.5371622 0.4256757 0.5371622), wk = 0.0025381 k( 244) = ( 0.5405405 0.4189189 0.5405405), wk = 0.0025381 k( 245) = ( 0.5439189 0.4121622 0.5439189), wk = 0.0025381 k( 246) = ( 0.5472973 0.4054054 0.5472973), wk = 0.0025381 k( 247) = ( 0.5506757 0.3986487 0.5506757), wk = 0.0025381 k( 248) = ( 0.5540540 0.3918919 0.5540540), wk = 0.0025381 k( 249) = ( 0.5574324 0.3851351 0.5574324), wk = 0.0025381 k( 250) = ( 0.5608108 0.3783784 0.5608108), wk = 0.0025381 k( 251) = ( 0.5641892 0.3716216 0.5641892), wk = 0.0025381 k( 252) = ( 0.5675676 0.3648649 0.5675676), wk = 0.0025381 k( 253) = ( 0.5709460 0.3581081 0.5709460), wk = 0.0025381 k( 254) = ( 0.5743243 0.3513514 0.5743243), wk = 0.0025381 k( 255) = ( 0.5777027 0.3445946 0.5777027), wk = 0.0025381 k( 256) = ( 0.5810811 0.3378378 0.5810811), wk = 0.0025381 k( 257) = ( 0.5844595 0.3310811 0.5844595), wk = 0.0025381 k( 258) = ( 0.5878378 0.3243243 0.5878378), wk = 0.0025381 k( 259) = ( 0.5912162 0.3175676 0.5912162), wk = 0.0025381 k( 260) = ( 0.5945946 0.3108108 0.5945946), wk = 0.0025381 k( 261) = ( 0.5979730 0.3040541 0.5979730), wk = 0.0025381 k( 262) = ( 0.6013513 0.2972973 0.6013514), wk = 0.0025381 k( 263) = ( 0.6047297 0.2905405 0.6047297), wk = 0.0025381 k( 264) = ( 0.6081081 0.2837838 0.6081081), wk = 0.0025381 k( 265) = ( 0.6114865 0.2770270 0.6114865), wk = 0.0025381 k( 266) = ( 0.6148649 0.2702703 0.6148649), wk = 0.0025381 k( 267) = ( 0.6182432 0.2635135 0.6182432), wk = 0.0025381 k( 268) = ( 0.6216216 0.2567568 0.6216216), wk = 0.0025381 k( 269) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0025381 k( 270) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0025381 k( 271) = ( 0.6190476 0.2500000 0.6309524), wk = 0.0025381 k( 272) = ( 0.6130952 0.2500000 0.6369048), wk = 0.0025381 k( 273) = ( 0.6071429 0.2500000 0.6428571), wk = 0.0025381 k( 274) = ( 0.6011905 0.2500000 0.6488095), wk = 0.0025381 k( 275) = ( 0.5952381 0.2500000 0.6547619), wk = 0.0025381 k( 276) = ( 0.5892857 0.2500000 0.6607143), wk = 0.0025381 k( 277) = ( 0.5833333 0.2500000 0.6666667), wk = 0.0025381 k( 278) = ( 0.5773810 0.2500000 0.6726190), wk = 0.0025381 k( 279) = ( 0.5714286 0.2500000 0.6785714), wk = 0.0025381 k( 280) = ( 0.5654762 0.2500000 0.6845238), wk = 0.0025381 k( 281) = ( 0.5595238 0.2500000 0.6904762), wk = 0.0025381 k( 282) = ( 0.5535714 0.2500000 0.6964286), wk = 0.0025381 k( 283) = ( 0.5476190 0.2500000 0.7023810), wk = 0.0025381 k( 284) = ( 0.5416667 0.2500000 0.7083333), wk = 0.0025381 k( 285) = ( 0.5357143 0.2500000 0.7142857), wk = 0.0025381 k( 286) = ( 0.5297619 0.2500000 0.7202381), wk = 0.0025381 k( 287) = ( 0.5238095 0.2500000 0.7261905), wk = 0.0025381 k( 288) = ( 0.5178571 0.2500000 0.7321429), wk = 0.0025381 k( 289) = ( 0.5119048 0.2500000 0.7380952), wk = 0.0025381 k( 290) = ( 0.5059524 0.2500000 0.7440476), wk = 0.0025381 k( 291) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0025381 k( 292) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0025381 k( 293) = ( 0.5000000 0.2559524 0.7440476), wk = 0.0025381 k( 294) = ( 0.5000000 0.2619048 0.7380952), wk = 0.0025381 k( 295) = ( 0.5000000 0.2678571 0.7321429), wk = 0.0025381 k( 296) = ( 0.5000000 0.2738095 0.7261905), wk = 0.0025381 k( 297) = ( 0.5000000 0.2797619 0.7202381), wk = 0.0025381 k( 298) = ( 0.5000000 0.2857143 0.7142857), wk = 0.0025381 k( 299) = ( 0.5000000 0.2916667 0.7083333), wk = 0.0025381 k( 300) = ( 0.5000000 0.2976190 0.7023810), wk = 0.0025381 k( 301) = ( 0.5000000 0.3035714 0.6964286), wk = 0.0025381 k( 302) = ( 0.5000000 0.3095238 0.6904762), wk = 0.0025381 k( 303) = ( 0.5000000 0.3154762 0.6845238), wk = 0.0025381 k( 304) = ( 0.5000000 0.3214286 0.6785714), wk = 0.0025381 k( 305) = ( 0.5000000 0.3273810 0.6726190), wk = 0.0025381 k( 306) = ( 0.5000000 0.3333333 0.6666667), wk = 0.0025381 k( 307) = ( 0.5000000 0.3392857 0.6607143), wk = 0.0025381 k( 308) = ( 0.5000000 0.3452381 0.6547619), wk = 0.0025381 k( 309) = ( 0.5000000 0.3511905 0.6488095), wk = 0.0025381 k( 310) = ( 0.5000000 0.3571429 0.6428571), wk = 0.0025381 k( 311) = ( 0.5000000 0.3630952 0.6369048), wk = 0.0025381 k( 312) = ( 0.5000000 0.3690476 0.6309524), wk = 0.0025381 k( 313) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0025381 k( 314) = ( 0.5000000 0.3809524 0.6190476), wk = 0.0025381 k( 315) = ( 0.5000000 0.3869048 0.6130952), wk = 0.0025381 k( 316) = ( 0.5000000 0.3928571 0.6071429), wk = 0.0025381 k( 317) = ( 0.5000000 0.3988095 0.6011905), wk = 0.0025381 k( 318) = ( 0.5000000 0.4047619 0.5952381), wk = 0.0025381 k( 319) = ( 0.5000000 0.4107143 0.5892857), wk = 0.0025381 k( 320) = ( 0.5000000 0.4166667 0.5833333), wk = 0.0025381 k( 321) = ( 0.5000000 0.4226190 0.5773810), wk = 0.0025381 k( 322) = ( 0.5000000 0.4285714 0.5714286), wk = 0.0025381 k( 323) = ( 0.5000000 0.4345238 0.5654762), wk = 0.0025381 k( 324) = ( 0.5000000 0.4404762 0.5595238), wk = 0.0025381 k( 325) = ( 0.5000000 0.4464286 0.5535714), wk = 0.0025381 k( 326) = ( 0.5000000 0.4523810 0.5476190), wk = 0.0025381 k( 327) = ( 0.5000000 0.4583333 0.5416667), wk = 0.0025381 k( 328) = ( 0.5000000 0.4642857 0.5357143), wk = 0.0025381 k( 329) = ( 0.5000000 0.4702381 0.5297619), wk = 0.0025381 k( 330) = ( 0.5000000 0.4761905 0.5238095), wk = 0.0025381 k( 331) = ( 0.5000000 0.4821429 0.5178571), wk = 0.0025381 k( 332) = ( 0.5000000 0.4880952 0.5119048), wk = 0.0025381 k( 333) = ( 0.5000000 0.4940476 0.5059524), wk = 0.0025381 k( 334) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025381 k( 335) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025381 k( 336) = ( 0.4966216 0.4966216 0.5067568), wk = 0.0025381 k( 337) = ( 0.4932432 0.4932432 0.5135135), wk = 0.0025381 k( 338) = ( 0.4898649 0.4898649 0.5202703), wk = 0.0025381 k( 339) = ( 0.4864865 0.4864865 0.5270270), wk = 0.0025381 k( 340) = ( 0.4831081 0.4831081 0.5337838), wk = 0.0025381 k( 341) = ( 0.4797297 0.4797297 0.5405405), wk = 0.0025381 k( 342) = ( 0.4763514 0.4763514 0.5472973), wk = 0.0025381 k( 343) = ( 0.4729730 0.4729730 0.5540540), wk = 0.0025381 k( 344) = ( 0.4695946 0.4695946 0.5608108), wk = 0.0025381 k( 345) = ( 0.4662162 0.4662162 0.5675676), wk = 0.0025381 k( 346) = ( 0.4628378 0.4628378 0.5743243), wk = 0.0025381 k( 347) = ( 0.4594595 0.4594595 0.5810811), wk = 0.0025381 k( 348) = ( 0.4560811 0.4560811 0.5878378), wk = 0.0025381 k( 349) = ( 0.4527027 0.4527027 0.5945946), wk = 0.0025381 k( 350) = ( 0.4493243 0.4493243 0.6013513), wk = 0.0025381 k( 351) = ( 0.4459459 0.4459459 0.6081081), wk = 0.0025381 k( 352) = ( 0.4425676 0.4425676 0.6148649), wk = 0.0025381 k( 353) = ( 0.4391892 0.4391892 0.6216216), wk = 0.0025381 k( 354) = ( 0.4358108 0.4358108 0.6283784), wk = 0.0025381 k( 355) = ( 0.4324324 0.4324324 0.6351351), wk = 0.0025381 k( 356) = ( 0.4290541 0.4290541 0.6418919), wk = 0.0025381 k( 357) = ( 0.4256757 0.4256757 0.6486487), wk = 0.0025381 k( 358) = ( 0.4222973 0.4222973 0.6554054), wk = 0.0025381 k( 359) = ( 0.4189189 0.4189189 0.6621622), wk = 0.0025381 k( 360) = ( 0.4155405 0.4155405 0.6689189), wk = 0.0025381 k( 361) = ( 0.4121622 0.4121622 0.6756757), wk = 0.0025381 k( 362) = ( 0.4087838 0.4087838 0.6824324), wk = 0.0025381 k( 363) = ( 0.4054054 0.4054054 0.6891892), wk = 0.0025381 k( 364) = ( 0.4020270 0.4020270 0.6959460), wk = 0.0025381 k( 365) = ( 0.3986486 0.3986487 0.7027027), wk = 0.0025381 k( 366) = ( 0.3952703 0.3952703 0.7094595), wk = 0.0025381 k( 367) = ( 0.3918919 0.3918919 0.7162162), wk = 0.0025381 k( 368) = ( 0.3885135 0.3885135 0.7229730), wk = 0.0025381 k( 369) = ( 0.3851351 0.3851351 0.7297297), wk = 0.0025381 k( 370) = ( 0.3817568 0.3817568 0.7364865), wk = 0.0025381 k( 371) = ( 0.3783784 0.3783784 0.7432432), wk = 0.0025381 k( 372) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0025381 k( 373) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0025381 k( 374) = ( 0.6190476 0.2380952 0.6190476), wk = 0.0025381 k( 375) = ( 0.6130952 0.2261905 0.6130952), wk = 0.0025381 k( 376) = ( 0.6071429 0.2142857 0.6071429), wk = 0.0025381 k( 377) = ( 0.6011905 0.2023810 0.6011905), wk = 0.0025381 k( 378) = ( 0.5952381 0.1904762 0.5952381), wk = 0.0025381 k( 379) = ( 0.5892857 0.1785714 0.5892857), wk = 0.0025381 k( 380) = ( 0.5833333 0.1666667 0.5833333), wk = 0.0025381 k( 381) = ( 0.5773810 0.1547619 0.5773810), wk = 0.0025381 k( 382) = ( 0.5714286 0.1428571 0.5714286), wk = 0.0025381 k( 383) = ( 0.5654762 0.1309524 0.5654762), wk = 0.0025381 k( 384) = ( 0.5595238 0.1190476 0.5595238), wk = 0.0025381 k( 385) = ( 0.5535714 0.1071429 0.5535714), wk = 0.0025381 k( 386) = ( 0.5476190 0.0952381 0.5476190), wk = 0.0025381 k( 387) = ( 0.5416667 0.0833333 0.5416667), wk = 0.0025381 k( 388) = ( 0.5357143 0.0714286 0.5357143), wk = 0.0025381 k( 389) = ( 0.5297619 0.0595238 0.5297619), wk = 0.0025381 k( 390) = ( 0.5238095 0.0476190 0.5238095), wk = 0.0025381 k( 391) = ( 0.5178571 0.0357143 0.5178571), wk = 0.0025381 k( 392) = ( 0.5119048 0.0238095 0.5119048), wk = 0.0025381 k( 393) = ( 0.5059524 0.0119048 0.5059524), wk = 0.0025381 k( 394) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025381 Dense grid: 96905 G-vectors FFT dimensions: ( 64, 64, 64) Smooth grid: 14649 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.04 Mb ( 82, 28) NL pseudopotentials 0.03 Mb ( 41, 48) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.02 Mb ( 2020) G-vector shells 0.00 Mb ( 525) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.14 Mb ( 82, 112) Each subspace H/S matrix 0.19 Mb ( 112, 112) Each matrix 0.04 Mb ( 48, 2, 28) The potential is recalculated from file : ./MnP.save/charge-density.dat Starting wfc are 28 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 41.1 secs Computing kpt #: 2 total cpu time spent up to now is 41.7 secs Computing kpt #: 3 total cpu time spent up to now is 42.0 secs Computing kpt #: 4 total cpu time spent up to now is 42.5 secs Computing kpt #: 5 total cpu time spent up to now is 42.9 secs Computing kpt #: 6 total cpu time spent up to now is 43.2 secs Computing kpt #: 7 total cpu time spent up to now is 43.6 secs Computing kpt #: 8 total cpu time spent up to now is 43.9 secs Computing kpt #: 9 total cpu time spent up to now is 44.3 secs Computing kpt #: 10 total cpu time spent up to now is 44.7 secs Computing kpt #: 11 total cpu time spent up to now is 45.0 secs Computing kpt #: 12 total cpu time spent up to now is 45.4 secs Computing kpt #: 13 total cpu time spent up to now is 45.8 secs Computing kpt #: 14 total cpu time spent up to now is 46.2 secs Computing kpt #: 15 total cpu time spent up to now is 46.7 secs Computing kpt #: 16 total cpu time spent up to now is 47.2 secs Computing kpt #: 17 total cpu time spent up to now is 47.7 secs Computing kpt #: 18 total cpu time spent up to now is 48.2 secs Computing kpt #: 19 total cpu time spent up to now is 48.7 secs Computing kpt #: 20 total cpu time spent up to now is 49.2 secs Computing kpt #: 21 total cpu time spent up to now is 49.7 secs Computing kpt #: 22 total cpu time spent up to now is 50.2 secs Computing kpt #: 23 total cpu time spent up to now is 50.7 secs Computing kpt #: 24 total cpu time spent up to now is 51.1 secs Computing kpt #: 25 total cpu time spent up to now is 51.6 secs Computing kpt #: 26 total cpu time spent up to now is 52.0 secs Computing kpt #: 27 total cpu time spent up to now is 52.4 secs Computing kpt #: 28 total cpu time spent up to now is 52.9 secs Computing kpt #: 29 total cpu time spent up to now is 53.3 secs Computing 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is 59.7 secs Computing kpt #: 46 total cpu time spent up to now is 60.1 secs Computing kpt #: 47 total cpu time spent up to now is 60.5 secs Computing kpt #: 48 total cpu time spent up to now is 60.9 secs Computing kpt #: 49 total cpu time spent up to now is 61.3 secs Computing kpt #: 50 total cpu time spent up to now is 61.7 secs Computing kpt #: 51 total cpu time spent up to now is 62.1 secs Computing kpt #: 52 total cpu time spent up to now is 62.5 secs Computing kpt #: 53 total cpu time spent up to now is 62.9 secs Computing kpt #: 54 total cpu time spent up to now is 63.2 secs Computing kpt #: 55 total cpu time spent up to now is 63.6 secs Computing kpt #: 56 total cpu time spent up to now is 64.0 secs Computing kpt #: 57 total cpu time spent up to now is 64.4 secs Computing kpt #: 58 total cpu time spent up to now is 64.7 secs Computing kpt #: 59 total cpu time spent up to now is 65.4 secs Computing kpt #: 60 total cpu time spent up to now is 65.8 secs Computing kpt #: 61 total cpu time spent up to now is 66.2 secs Computing kpt #: 62 total cpu time spent up to now is 66.5 secs Computing kpt #: 63 total cpu time spent up to now is 66.9 secs Computing kpt #: 64 total cpu time spent up to now is 67.4 secs Computing kpt #: 65 total cpu time spent up to now is 67.8 secs Computing kpt #: 66 total cpu time spent up to now is 68.2 secs Computing kpt #: 67 total cpu time spent up to now is 68.5 secs Computing kpt #: 68 total cpu time spent up to now is 68.9 secs Computing kpt #: 69 total cpu time spent up to now is 69.3 secs Computing kpt #: 70 total cpu time spent up to now is 69.7 secs Computing kpt #: 71 total cpu time spent up to now is 70.0 secs Computing kpt #: 72 total cpu time spent up to now is 70.4 secs Computing kpt #: 73 total cpu time spent up to now is 71.0 secs Computing kpt #: 74 total cpu time spent up to now is 71.4 secs Computing kpt #: 75 total cpu time spent up to now is 71.8 secs Computing kpt #: 76 total cpu time spent up to now is 72.3 secs Computing kpt #: 77 total cpu time spent up to now is 72.7 secs Computing kpt #: 78 total cpu time spent up to now is 73.2 secs Computing kpt #: 79 total cpu time spent up to now is 73.7 secs Computing kpt #: 80 total cpu time spent up to now is 74.1 secs Computing kpt #: 81 total cpu time spent up to now is 74.5 secs Computing kpt #: 82 total cpu time spent up to now is 75.0 secs Computing kpt #: 83 total cpu time spent up to now is 75.4 secs Computing kpt #: 84 total cpu time spent up to now is 75.8 secs Computing kpt #: 85 total cpu time spent up to now is 76.2 secs Computing kpt #: 86 total cpu time spent up to now is 76.6 secs Computing kpt #: 87 total cpu time spent up to now is 77.1 secs Computing kpt #: 88 total cpu time spent up to now is 77.5 secs Computing kpt #: 89 total cpu time spent up to now is 78.0 secs Computing kpt #: 90 total cpu time spent up to now is 78.5 secs Computing kpt #: 91 total cpu time spent up to now is 79.0 secs Computing kpt #: 92 total cpu time spent up to now is 79.4 secs Computing kpt #: 93 total cpu time spent up to now is 79.8 secs Computing kpt #: 94 total cpu time spent up to now is 80.3 secs Computing kpt #: 95 total cpu time spent up to now is 80.7 secs Computing kpt #: 96 total cpu time spent up to now is 81.1 secs Computing kpt #: 97 total cpu time spent up to now is 81.5 secs Computing kpt #: 98 total cpu time spent up to now is 81.9 secs Computing kpt #: 99 total cpu time spent up to now is 82.3 secs Computing kpt #: 100 total cpu time spent up to now is 82.7 secs Computing kpt #: 101 total cpu time spent up to now is 83.2 secs Computing kpt #: 102 total cpu time spent up to now is 83.6 secs Computing kpt #: 103 total cpu time spent up to now is 84.1 secs Computing kpt #: 104 total cpu time spent up to now is 84.6 secs Computing kpt #: 105 total cpu time spent up to now is 85.1 secs Computing kpt #: 106 total cpu time spent up to now is 85.8 secs Computing kpt #: 107 total cpu time spent up to now is 86.3 secs Computing kpt #: 108 total cpu time spent up to now is 86.7 secs Computing kpt #: 109 total cpu time spent up to now is 87.2 secs Computing kpt #: 110 total cpu time spent up to now is 87.6 secs Computing kpt #: 111 total cpu time spent up to now is 88.0 secs Computing kpt #: 112 total cpu time spent up to now is 88.5 secs Computing kpt #: 113 total cpu time spent up to now is 88.9 secs Computing kpt #: 114 total cpu time spent up to now is 89.3 secs Computing kpt #: 115 total cpu time spent up to now is 89.9 secs Computing kpt #: 116 total cpu time spent up to now is 90.3 secs Computing kpt #: 117 total cpu time spent up to now is 90.7 secs Computing kpt #: 118 total cpu time spent up to now is 91.2 secs Computing kpt #: 119 total cpu time spent up to now is 91.6 secs Computing kpt #: 120 total cpu time spent up to now is 92.0 secs Computing kpt #: 121 total cpu time spent up to now is 92.6 secs Computing kpt #: 122 total cpu time spent up to now is 93.0 secs Computing kpt #: 123 total cpu time 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secs Computing kpt #: 139 total cpu time spent up to now is 100.9 secs Computing kpt #: 140 total cpu time spent up to now is 101.5 secs Computing kpt #: 141 total cpu time spent up to now is 102.0 secs Computing kpt #: 142 total cpu time spent up to now is 102.7 secs Computing kpt #: 143 total cpu time spent up to now is 103.4 secs Computing kpt #: 144 total cpu time spent up to now is 103.8 secs Computing kpt #: 145 total cpu time spent up to now is 104.4 secs Computing kpt #: 146 total cpu time spent up to now is 105.0 secs Computing kpt #: 147 total cpu time spent up to now is 105.5 secs Computing kpt #: 148 total cpu time spent up to now is 106.0 secs Computing kpt #: 149 total cpu time spent up to now is 106.5 secs Computing kpt #: 150 total cpu time spent up to now is 107.0 secs Computing kpt #: 151 total cpu time spent up to now is 107.4 secs Computing kpt #: 152 total cpu time spent up to now is 107.9 secs Computing kpt #: 153 total cpu time spent up to now is 108.3 secs Computing kpt #: 154 total cpu time spent up to now is 108.8 secs Computing kpt #: 155 total cpu time spent up to now is 109.2 secs Computing kpt #: 156 total cpu time spent up to now is 109.7 secs Computing kpt #: 157 total cpu time spent up to now is 110.2 secs Computing kpt #: 158 total cpu time spent up to now is 110.6 secs Computing kpt #: 159 total cpu time spent up to now is 111.0 secs Computing kpt #: 160 total cpu time spent up to now is 111.3 secs Computing kpt #: 161 total cpu time spent up to now is 111.7 secs Computing kpt #: 162 total cpu time spent up to now is 112.1 secs Computing kpt #: 163 total cpu time spent up to now is 112.4 secs Computing kpt #: 164 total cpu time spent up to now is 112.8 secs Computing kpt #: 165 total cpu time spent up to now is 113.2 secs Computing kpt #: 166 total cpu time spent up to now is 113.6 secs Computing kpt #: 167 total cpu time spent up to now is 114.1 secs Computing kpt #: 168 total cpu time spent up to now is 114.5 secs Computing kpt #: 169 total cpu time spent up to now is 114.9 secs Computing kpt #: 170 total cpu time spent up to now is 115.5 secs Computing kpt #: 171 total cpu time spent up to now is 115.9 secs Computing kpt #: 172 total cpu time spent up to now is 116.3 secs Computing kpt #: 173 total cpu time spent up to now is 116.6 secs Computing kpt #: 174 total cpu time spent up to now is 116.9 secs Computing kpt #: 175 total cpu time spent up to now is 117.3 secs Computing kpt #: 176 total cpu time spent up to now is 117.6 secs Computing kpt #: 177 total cpu time spent up to now is 117.9 secs Computing kpt #: 178 total cpu time spent up to now is 118.3 secs Computing kpt #: 179 total cpu time spent up to now is 118.6 secs Computing kpt #: 180 total cpu time spent up to now is 118.9 secs Computing kpt #: 181 total cpu time spent up to now is 119.3 secs Computing kpt #: 182 total cpu time spent up to now is 119.9 secs Computing kpt #: 183 total cpu time spent up to now is 120.3 secs Computing kpt #: 184 total cpu time spent up to now is 120.6 secs Computing kpt #: 185 total cpu time spent up to now is 121.0 secs Computing kpt #: 186 total cpu time spent up to now is 121.4 secs Computing kpt #: 187 total cpu time spent up to now is 121.7 secs Computing kpt #: 188 total cpu time spent up to now is 122.4 secs Computing kpt #: 189 total cpu time spent up to now is 122.8 secs Computing kpt #: 190 total cpu time spent up to now is 123.2 secs Computing kpt #: 191 total cpu time spent up to now is 123.5 secs Computing kpt #: 192 total cpu time spent up to now is 123.9 secs Computing kpt #: 193 total cpu time spent up to now is 124.2 secs Computing kpt #: 194 total cpu time spent up to now is 124.6 secs Computing kpt #: 195 total cpu time spent up to now is 125.0 secs Computing kpt #: 196 total cpu time spent up to now is 125.4 secs Computing kpt #: 197 total cpu time spent up to now is 125.8 secs Computing kpt #: 198 total cpu time spent up to now is 126.2 secs Computing kpt #: 199 total cpu time spent up to now is 126.6 secs Computing kpt #: 200 total cpu time spent up to now is 127.1 secs Computing kpt #: 201 total cpu time spent up to now is 127.5 secs Computing kpt #: 202 total cpu time spent up to now is 127.9 secs Computing kpt #: 203 total cpu time spent up to now is 128.2 secs Computing kpt #: 204 total cpu time spent up to now is 128.6 secs Computing kpt #: 205 total cpu time spent up to now is 128.9 secs Computing kpt #: 206 total cpu time spent up to now is 129.3 secs Computing kpt #: 207 total cpu time spent up to now is 129.7 secs Computing kpt #: 208 total cpu time spent up to now is 130.0 secs Computing kpt #: 209 total cpu time spent up to now is 130.4 secs Computing kpt #: 210 total cpu time spent up to now is 130.8 secs Computing kpt #: 211 total cpu time spent up to now is 131.6 secs Computing kpt #: 212 total cpu time spent up to now is 132.0 secs Computing kpt #: 213 total cpu time spent up to now is 132.4 secs Computing kpt #: 214 total cpu time spent up to now is 132.9 secs Computing kpt #: 215 total cpu time spent up to now is 133.3 secs Computing kpt #: 216 total cpu time spent up to now is 133.7 secs Computing kpt #: 217 total cpu time spent up to now is 134.1 secs Computing kpt #: 218 total cpu time spent up to now is 134.5 secs Computing kpt #: 219 total cpu time spent up to now is 134.9 secs Computing kpt #: 220 total cpu time spent up to now is 135.3 secs Computing kpt #: 221 total cpu time spent up to now is 135.6 secs Computing kpt #: 222 total cpu time spent up to now is 136.0 secs Computing kpt #: 223 total cpu time spent up to now is 136.3 secs Computing kpt #: 224 total cpu time spent up to now is 136.8 secs Computing kpt #: 225 total cpu time spent up to now is 137.1 secs Computing kpt #: 226 total cpu time spent up to now is 137.6 secs Computing kpt #: 227 total cpu time spent up to now is 138.0 secs Computing kpt #: 228 total cpu time spent up to now is 138.5 secs Computing kpt #: 229 total cpu time spent up to now is 139.1 secs Computing kpt #: 230 total cpu time spent up to now is 139.6 secs Computing kpt #: 231 total cpu time spent up to now is 139.9 secs Computing kpt #: 232 total cpu time spent up to now is 140.3 secs Computing kpt #: 233 total cpu time spent up to now is 140.7 secs Computing kpt #: 234 total cpu time spent up to now is 141.0 secs Computing kpt #: 235 total cpu time spent up to now is 141.4 secs Computing kpt #: 236 total cpu time spent up to now is 141.8 secs Computing kpt #: 237 total cpu time spent up to now is 142.2 secs Computing kpt #: 238 total cpu time spent up to now is 142.6 secs Computing kpt #: 239 total cpu time spent up to now is 143.2 secs Computing kpt #: 240 total cpu time spent up to now is 143.6 secs Computing kpt #: 241 total cpu time spent up to now is 144.1 secs Computing kpt #: 242 total cpu time spent up to now is 144.5 secs Computing kpt #: 243 total cpu time spent up to now is 144.9 secs Computing kpt #: 244 total cpu time spent up to now is 145.3 secs Computing kpt #: 245 total cpu time spent up to now is 145.7 secs Computing kpt #: 246 total cpu time spent up to now is 146.1 secs Computing kpt #: 247 total cpu time spent up to now is 146.5 secs Computing kpt #: 248 total cpu time spent up to now is 146.9 secs Computing kpt #: 249 total cpu time spent up to now is 147.4 secs Computing kpt #: 250 total cpu time spent up to now is 147.8 secs Computing kpt #: 251 total cpu time spent up to now is 148.2 secs Computing kpt #: 252 total cpu time spent up to now is 148.6 secs Computing kpt #: 253 total cpu time spent up to now is 149.0 secs Computing kpt #: 254 total cpu time spent up to now is 149.4 secs Computing kpt #: 255 total cpu time spent up to now is 149.9 secs Computing kpt #: 256 total cpu time spent up to now is 150.3 secs Computing kpt #: 257 total cpu time spent up to now is 150.7 secs Computing kpt #: 258 total cpu time spent up to now is 151.1 secs Computing kpt #: 259 total cpu time spent up to now is 151.5 secs Computing kpt #: 260 total cpu time spent up to now is 151.9 secs Computing kpt #: 261 total cpu time spent up to now is 152.2 secs Computing kpt #: 262 total cpu time spent up to now is 152.6 secs Computing kpt #: 263 total cpu time spent up to now is 153.0 secs Computing kpt #: 264 total cpu time spent up to now is 153.4 secs Computing kpt #: 265 total cpu time spent up to now is 153.8 secs Computing kpt #: 266 total cpu time spent up to now is 154.1 secs Computing kpt #: 267 total cpu time spent up to now is 154.5 secs Computing kpt #: 268 total cpu time spent up to now is 155.1 secs Computing kpt #: 269 total cpu time spent up to now is 155.5 secs Computing kpt #: 270 total cpu time spent up to now is 155.9 secs Computing kpt #: 271 total cpu time spent up to now is 156.3 secs Computing kpt #: 272 total cpu time spent up to now is 156.7 secs Computing kpt #: 273 total cpu time spent up to now is 157.2 secs Computing kpt #: 274 total cpu time spent up to now is 157.6 secs Computing kpt #: 275 total cpu time spent up to now is 158.1 secs Computing kpt #: 276 total cpu time spent up to now is 158.5 secs Computing kpt #: 277 total cpu time spent up to now is 158.9 secs Computing kpt #: 278 total cpu time spent up to now is 159.2 secs Computing kpt #: 279 total cpu time spent up to now is 159.6 secs Computing kpt #: 280 total cpu time spent up to now is 160.0 secs Computing kpt #: 281 total cpu time spent up to now is 160.4 secs Computing kpt #: 282 total cpu time spent up to now is 160.9 secs Computing kpt #: 283 total cpu time spent up to now is 161.4 secs Computing kpt #: 284 total cpu time spent up to now is 161.8 secs Computing kpt #: 285 total cpu time spent up to now is 162.3 secs Computing kpt #: 286 total cpu time spent up to now is 162.9 secs Computing kpt #: 287 total cpu time spent up to now is 163.3 secs Computing kpt #: 288 total cpu time spent up to now is 163.8 secs Computing kpt #: 289 total cpu time spent up to now is 164.3 secs Computing kpt #: 290 total cpu time spent up to now is 164.7 secs Computing kpt #: 291 total cpu time spent up to now is 165.3 secs Computing kpt #: 292 total cpu time spent up to now is 165.7 secs Computing kpt #: 293 total cpu time spent up to now is 166.1 secs Computing kpt #: 294 total cpu time spent up to now is 166.5 secs Computing kpt #: 295 total cpu time spent up to now is 166.9 secs Computing kpt #: 296 total cpu time spent up to now is 167.3 secs Computing kpt #: 297 total cpu time spent up to now is 167.8 secs Computing kpt #: 298 total cpu time spent up to now is 168.3 secs Computing kpt #: 299 total cpu time spent up to now is 168.8 secs Computing kpt #: 300 total cpu time spent up to now is 169.4 secs Computing kpt #: 301 total cpu time spent up to now is 169.8 secs Computing kpt #: 302 total cpu time spent up to now is 170.3 secs Computing kpt #: 303 total cpu time spent up to now is 170.8 secs Computing kpt #: 304 total cpu time spent up to now is 171.3 secs Computing kpt #: 305 total cpu time spent up to now is 171.8 secs Computing kpt #: 306 total cpu time spent up to now is 172.2 secs Computing kpt #: 307 total cpu time spent up to now is 172.7 secs Computing kpt #: 308 total cpu time spent up to now is 173.1 secs Computing kpt #: 309 total cpu time spent up to now is 173.6 secs Computing kpt #: 310 total cpu time spent up to now is 174.1 secs Computing kpt #: 311 total cpu time spent up to now is 174.5 secs Computing kpt #: 312 total cpu time spent up to now is 175.1 secs Computing kpt #: 313 total cpu time spent up to now is 175.7 secs Computing kpt #: 314 total cpu time spent up to now is 176.3 secs Computing kpt #: 315 total cpu time spent up to now is 176.8 secs Computing kpt #: 316 total cpu time spent up to now is 177.3 secs Computing kpt #: 317 total cpu time spent up to now is 177.8 secs Computing kpt #: 318 total cpu time spent up to now is 178.2 secs Computing kpt #: 319 total cpu time spent up to now is 178.6 secs Computing kpt #: 320 total cpu time spent up to now is 179.1 secs Computing kpt #: 321 total cpu time spent up to now is 179.6 secs Computing kpt #: 322 total cpu time spent up to now is 180.1 secs Computing kpt #: 323 total cpu time spent up to now is 180.5 secs Computing kpt #: 324 total cpu time spent up to now is 180.9 secs Computing kpt #: 325 total cpu time spent up to now is 181.3 secs Computing kpt #: 326 total cpu time spent up to now is 181.7 secs Computing kpt #: 327 total cpu time spent up to now is 182.0 secs Computing kpt #: 328 total cpu time spent up to now is 182.6 secs Computing kpt #: 329 total cpu time spent up to now is 183.2 secs Computing kpt #: 330 total cpu time spent up to now is 183.8 secs Computing kpt #: 331 total cpu time spent up to now is 184.4 secs Computing kpt #: 332 total cpu time spent up to now is 184.8 secs Computing kpt #: 333 total cpu time spent up to now is 185.2 secs Computing kpt #: 334 total cpu time spent up to now is 185.7 secs Computing kpt #: 335 total cpu time spent up to now is 186.3 secs Computing kpt #: 336 total cpu time spent up to now is 186.7 secs Computing kpt #: 337 total cpu time spent up to now is 187.1 secs Computing kpt #: 338 total cpu time spent up to now is 187.4 secs Computing kpt #: 339 total cpu time spent up to now is 187.8 secs Computing kpt #: 340 total cpu time spent up to now is 188.2 secs Computing kpt #: 341 total cpu time spent up to now is 188.6 secs Computing kpt #: 342 total cpu time spent up to now is 188.9 secs Computing kpt #: 343 total cpu time spent up to now is 189.4 secs Computing kpt #: 344 total cpu time spent up to now is 189.8 secs Computing kpt #: 345 total cpu time spent up to now is 190.2 secs Computing kpt #: 346 total cpu time spent up to now is 190.6 secs Computing kpt #: 347 total cpu time spent up to now is 191.0 secs Computing kpt #: 348 total cpu time spent up to now is 191.5 secs Computing kpt #: 349 total cpu time spent up to now is 191.9 secs Computing kpt #: 350 total cpu time spent up to now is 192.4 secs Computing kpt #: 351 total cpu time spent up to now is 192.9 secs Computing kpt #: 352 total cpu time spent up to now is 193.3 secs Computing kpt #: 353 total cpu time spent up to now is 193.7 secs Computing kpt #: 354 total cpu time spent up to now is 194.1 secs Computing kpt #: 355 total cpu time spent up to now is 194.6 secs Computing kpt #: 356 total cpu time spent up to now is 195.0 secs Computing kpt #: 357 total cpu time spent up to now is 195.3 secs Computing kpt #: 358 total cpu time spent up to now is 195.7 secs Computing kpt #: 359 total cpu time spent up to now is 196.1 secs Computing kpt #: 360 total cpu time spent up to now is 196.5 secs Computing kpt #: 361 total cpu time spent up to now is 196.9 secs Computing kpt #: 362 total cpu time spent up to now is 197.4 secs Computing kpt #: 363 total cpu time spent up to now is 198.0 secs Computing kpt #: 364 total cpu time spent up to now is 198.3 secs Computing kpt #: 365 total cpu time spent up to now is 198.7 secs Computing kpt #: 366 total cpu time spent up to now is 199.1 secs Computing kpt #: 367 total cpu time spent up to now is 199.5 secs Computing kpt #: 368 total cpu time spent up to now is 199.9 secs Computing kpt #: 369 total cpu time spent up to now is 200.2 secs Computing kpt #: 370 total cpu time spent up to now is 200.6 secs Computing kpt #: 371 total cpu time spent up to now is 201.0 secs Computing kpt #: 372 total cpu time spent up to now is 201.3 secs Computing kpt #: 373 total cpu time spent up to now is 201.7 secs Computing kpt #: 374 total cpu time spent up to now is 202.1 secs Computing kpt #: 375 total cpu time spent up to now is 202.4 secs Computing kpt #: 376 total cpu time spent up to now is 202.9 secs Computing kpt #: 377 total cpu time spent up to now is 203.3 secs Computing kpt #: 378 total cpu time spent up to now is 203.7 secs Computing kpt #: 379 total cpu time spent up to now is 204.5 secs Computing kpt #: 380 total cpu time spent up to now is 204.9 secs Computing kpt #: 381 total cpu time spent up to now is 205.6 secs Computing kpt #: 382 total cpu time spent up to now is 206.1 secs Computing kpt #: 383 total cpu time spent up to now is 206.5 secs Computing kpt #: 384 total cpu time spent up to now is 206.9 secs Computing kpt #: 385 total cpu time spent up to now is 207.3 secs Computing kpt #: 386 total cpu time spent up to now is 207.7 secs Computing kpt #: 387 total cpu time spent up to now is 208.0 secs Computing kpt #: 388 total cpu time spent up to now is 208.4 secs Computing kpt #: 389 total cpu time spent up to now is 208.8 secs Computing kpt #: 390 total cpu time spent up to now is 209.2 secs Computing kpt #: 391 total cpu time spent up to now is 209.6 secs Computing kpt #: 392 total cpu time spent up to now is 210.0 secs Computing kpt #: 393 total cpu time spent up to now is 210.5 secs Computing kpt #: 394 total cpu time spent up to now is 210.9 secs ethr = 5.00E-11, avg # of iterations = 19.7 total cpu time spent up to now is 210.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1837 PWs) bands (ev): -70.5152 -70.5152 -40.1402 -40.1402 -38.8775 -38.8775 -38.8775 -38.8775 -3.0815 -3.0815 5.5648 5.5648 5.5744 5.5744 5.5744 5.5744 7.8649 7.8649 7.8649 7.8649 12.5451 12.5451 12.5575 12.5575 12.5575 12.5575 13.3264 13.3264 k = 0.0083-0.0048 0.0068 ( 1837 PWs) bands (ev): -70.5152 -70.5152 -40.1402 -40.1402 -38.8775 -38.8775 -38.8775 -38.8775 -3.0805 -3.0805 5.5644 5.5644 5.5736 5.5736 5.5747 5.5747 7.8640 7.8640 7.8655 7.8655 12.5391 12.5391 12.5505 12.5505 12.5532 12.5532 13.3368 13.3368 k = 0.0167-0.0096 0.0136 ( 1837 PWs) bands (ev): -70.5152 -70.5152 -40.1402 -40.1402 -38.8776 -38.8776 -38.8776 -38.8776 -3.0775 -3.0775 5.5625 5.5625 5.5722 5.5722 5.5755 5.5755 7.8620 7.8620 7.8664 7.8664 12.5186 12.5186 12.5341 12.5341 12.5399 12.5399 13.3664 13.3664 k = 0.0250-0.0144 0.0204 ( 1837 PWs) bands (ev): -70.5152 -70.5152 -40.1402 -40.1402 -38.8776 -38.8776 -38.8776 -38.8776 -3.0725 -3.0725 5.5573 5.5573 5.5721 5.5721 5.5769 5.5769 7.8588 7.8588 7.8678 7.8678 12.4833 12.4833 12.5115 12.5115 12.5181 12.5181 13.4122 13.4122 k = 0.0333-0.0192 0.0272 ( 1836 PWs) bands (ev): -70.5152 -70.5152 -40.1402 -40.1402 -38.8776 -38.8776 -38.8776 -38.8776 -3.0654 -3.0654 5.5484 5.5484 5.5733 5.5733 5.5788 5.5788 7.8543 7.8543 7.8697 7.8697 12.4383 12.4383 12.4816 12.4816 12.4882 12.4882 13.4704 13.4704 k = 0.0417-0.0241 0.0340 ( 1836 PWs) bands (ev): -70.5152 -70.5152 -40.1402 -40.1402 -38.8777 -38.8777 -38.8776 -38.8776 -3.0564 -3.0564 5.5366 5.5366 5.5755 5.5755 5.5813 5.5813 7.8485 7.8485 7.8723 7.8723 12.3869 12.3869 12.4444 12.4444 12.4506 12.4506 13.5378 13.5378 k = 0.0500-0.0289 0.0408 ( 1836 PWs) bands (ev): -70.5151 -70.5151 -40.1403 -40.1403 -38.8777 -38.8777 -38.8776 -38.8776 -3.0455 -3.0455 5.5221 5.5221 5.5784 5.5784 5.5843 5.5843 7.8415 7.8415 7.8753 7.8753 12.3315 12.3315 12.4001 12.4001 12.4061 12.4061 13.6117 13.6117 k = 0.0583-0.0337 0.0476 ( 1840 PWs) bands (ev): -70.5152 -70.5152 -40.1403 -40.1403 -38.8778 -38.8778 -38.8777 -38.8777 -3.0325 -3.0325 5.5049 5.5049 5.5819 5.5819 5.5878 5.5878 7.8332 7.8332 7.8789 7.8789 12.2737 12.2737 12.3494 12.3494 12.3553 12.3553 13.6901 13.6901 k = 0.0667-0.0385 0.0544 ( 1844 PWs) bands (ev): -70.5152 -70.5152 -40.1404 -40.1404 -38.8779 -38.8779 -38.8777 -38.8777 -3.0176 -3.0176 5.4852 5.4852 5.5860 5.5860 5.5919 5.5919 7.8239 7.8239 7.8830 7.8830 12.2146 12.2146 12.2927 12.2927 12.2988 12.2988 13.7713 13.7713 k = 0.0750-0.0433 0.0612 ( 1844 PWs) bands (ev): -70.5152 -70.5152 -40.1404 -40.1404 -38.8779 -38.8779 -38.8777 -38.8777 -3.0008 -3.0008 5.4632 5.4632 5.5906 5.5906 5.5966 5.5966 7.8134 7.8134 7.8877 7.8877 12.1546 12.1546 12.2308 12.2308 12.2373 12.2373 13.8537 13.8537 k = 0.0833-0.0481 0.0680 ( 1840 PWs) bands (ev): -70.5151 -70.5151 -40.1405 -40.1405 -38.8780 -38.8780 -38.8778 -38.8778 -2.9820 -2.9820 5.4389 5.4389 5.5959 5.5959 5.6019 5.6019 7.8019 7.8019 7.8928 7.8928 12.0943 12.0943 12.1643 12.1643 12.1715 12.1715 13.9358 13.9358 k = 0.0917-0.0529 0.0748 ( 1848 PWs) bands (ev): -70.5152 -70.5152 -40.1405 -40.1405 -38.8781 -38.8781 -38.8778 -38.8778 -2.9614 -2.9614 5.4124 5.4124 5.6018 5.6018 5.6076 5.6076 7.7893 7.7893 7.8983 7.8983 12.0337 12.0337 12.0937 12.0937 12.1017 12.1017 14.0160 14.0160 k = 0.1000-0.0577 0.0816 ( 1848 PWs) bands (ev): -70.5151 -70.5151 -40.1406 -40.1406 -38.8782 -38.8782 -38.8779 -38.8779 -2.9389 -2.9389 5.3838 5.3838 5.6082 5.6082 5.6140 5.6140 7.7756 7.7756 7.9044 7.9044 11.9727 11.9727 12.0199 12.0199 12.0286 12.0286 14.0923 14.0923 k = 0.1083-0.0625 0.0885 ( 1848 PWs) bands (ev): -70.5151 -70.5151 -40.1407 -40.1407 -38.8784 -38.8784 -38.8779 -38.8779 -2.9145 -2.9145 5.3533 5.3533 5.6152 5.6152 5.6210 5.6210 7.7611 7.7611 7.9110 7.9110 11.9107 11.9107 11.9438 11.9438 11.9528 11.9528 14.1627 14.1627 k = 0.1167-0.0674 0.0953 ( 1848 PWs) bands (ev): -70.5151 -70.5151 -40.1408 -40.1408 -38.8785 -38.8785 -38.8780 -38.8780 -2.8884 -2.8884 5.3210 5.3210 5.6229 5.6229 5.6285 5.6285 7.7456 7.7456 7.9181 7.9181 11.8456 11.8456 11.8670 11.8670 11.8756 11.8756 14.2244 14.2244 k = 0.1250-0.0722 0.1021 ( 1848 PWs) bands (ev): -70.5151 -70.5151 -40.1408 -40.1408 -38.8786 -38.8786 -38.8781 -38.8781 -2.8605 -2.8605 5.2869 5.2869 5.6311 5.6311 5.6366 5.6366 7.7293 7.7293 7.9256 7.9256 11.7721 11.7721 11.7896 11.7896 11.8026 11.8026 14.2746 14.2746 k = 0.1333-0.0770 0.1089 ( 1840 PWs) bands (ev): -70.5151 -70.5151 -40.1409 -40.1409 -38.8788 -38.8788 -38.8781 -38.8781 -2.8308 -2.8308 5.2513 5.2513 5.6400 5.6400 5.6454 5.6454 7.7123 7.7123 7.9335 7.9335 11.6912 11.6912 11.7082 11.7082 11.7372 11.7372 14.3106 14.3106 k = 0.1417-0.0818 0.1157 ( 1836 PWs) bands (ev): -70.5150 -70.5150 -40.1410 -40.1410 -38.8789 -38.8789 -38.8782 -38.8782 -2.7995 -2.7995 5.2142 5.2142 5.6494 5.6494 5.6547 5.6547 7.6946 7.6946 7.9418 7.9418 11.6069 11.6069 11.6244 11.6244 11.6738 11.6738 14.3305 14.3305 k = 0.1500-0.0866 0.1225 ( 1840 PWs) bands (ev): -70.5150 -70.5150 -40.1411 -40.1411 -38.8791 -38.8791 -38.8783 -38.8783 -2.7665 -2.7665 5.1757 5.1757 5.6594 5.6594 5.6646 5.6646 7.6760 7.6760 7.9505 7.9505 11.5210 11.5210 11.5391 11.5391 11.6101 11.6101 14.3338 14.3338 k = 0.1583-0.0914 0.1293 ( 1840 PWs) bands (ev): -70.5150 -70.5150 -40.1412 -40.1412 -38.8792 -38.8792 -38.8784 -38.8784 -2.7320 -2.7320 5.1360 5.1360 5.6700 5.6700 5.6751 5.6751 7.6570 7.6570 7.9595 7.9595 11.4339 11.4339 11.4528 11.4528 11.5456 11.5456 14.3219 14.3219 k = 0.1667-0.0962 0.1361 ( 1840 PWs) bands (ev): -70.5150 -70.5150 -40.1413 -40.1413 -38.8794 -38.8794 -38.8785 -38.8785 -2.6959 -2.6959 5.0953 5.0953 5.6812 5.6812 5.6862 5.6862 7.6376 7.6376 7.9688 7.9688 11.3460 11.3460 11.3658 11.3658 11.4797 11.4797 14.2972 14.2972 k = 0.1750-0.1010 0.1429 ( 1840 PWs) bands (ev): -70.5150 -70.5150 -40.1415 -40.1415 -38.8796 -38.8796 -38.8785 -38.8785 -2.6583 -2.6583 5.0536 5.0536 5.6931 5.6931 5.6979 5.6979 7.6177 7.6177 7.9785 7.9785 11.2576 11.2576 11.2783 11.2783 11.4121 11.4121 14.2626 14.2626 k = 0.1833-0.1058 0.1497 ( 1840 PWs) bands (ev): -70.5150 -70.5150 -40.1416 -40.1416 -38.8797 -38.8797 -38.8786 -38.8786 -2.6192 -2.6192 5.0110 5.0110 5.7055 5.7055 5.7102 5.7102 7.5976 7.5976 7.9885 7.9885 11.1690 11.1690 11.1905 11.1905 11.3426 11.3426 14.2210 14.2210 k = 0.1917-0.1107 0.1565 ( 1840 PWs) bands (ev): -70.5150 -70.5150 -40.1417 -40.1417 -38.8799 -38.8799 -38.8787 -38.8787 -2.5788 -2.5788 4.9677 4.9677 5.7185 5.7185 5.7230 5.7230 7.5773 7.5773 7.9987 7.9987 11.0802 11.0802 11.1026 11.1026 11.2709 11.2709 14.1749 14.1749 k = 0.2000-0.1155 0.1633 ( 1840 PWs) bands (ev): -70.5150 -70.5150 -40.1418 -40.1418 -38.8801 -38.8801 -38.8788 -38.8788 -2.5371 -2.5371 4.9238 4.9238 5.7322 5.7322 5.7365 5.7365 7.5568 7.5568 8.0091 8.0091 10.9915 10.9915 11.0147 11.0147 11.1968 11.1968 14.1261 14.1261 k = 0.2083-0.1203 0.1701 ( 1840 PWs) bands (ev): -70.5149 -70.5149 -40.1419 -40.1419 -38.8803 -38.8803 -38.8789 -38.8789 -2.4942 -2.4942 4.8794 4.8794 5.7464 5.7464 5.7506 5.7506 7.5363 7.5363 8.0198 8.0198 10.9031 10.9031 10.9270 10.9270 11.1201 11.1201 14.0763 14.0763 k = 0.2167-0.1251 0.1769 ( 1832 PWs) bands (ev): -70.5149 -70.5149 -40.1420 -40.1420 -38.8805 -38.8805 -38.8790 -38.8790 -2.4501 -2.4501 4.8347 4.8347 5.7613 5.7613 5.7653 5.7653 7.5159 7.5159 8.0307 8.0307 10.8150 10.8150 10.8397 10.8397 11.0408 11.0408 14.0267 14.0267 k = 0.2250-0.1299 0.1837 ( 1824 PWs) bands (ev): -70.5149 -70.5149 -40.1422 -40.1422 -38.8806 -38.8806 -38.8791 -38.8791 -2.4050 -2.4050 4.7896 4.7896 5.7767 5.7767 5.7806 5.7806 7.4956 7.4956 8.0417 8.0417 10.7275 10.7275 10.7530 10.7530 10.9586 10.9587 13.9782 13.9782 k = 0.2333-0.1347 0.1905 ( 1828 PWs) bands (ev): -70.5149 -70.5149 -40.1423 -40.1423 -38.8808 -38.8808 -38.8792 -38.8792 -2.3589 -2.3589 4.7444 4.7444 5.7927 5.7927 5.7963 5.7963 7.4755 7.4755 8.0528 8.0528 10.6405 10.6405 10.6667 10.6667 10.8737 10.8737 13.9315 13.9315 k = 0.2417-0.1395 0.1973 ( 1828 PWs) bands (ev): -70.5148 -70.5148 -40.1424 -40.1424 -38.8810 -38.8810 -38.8793 -38.8793 -2.3119 -2.3119 4.6992 4.6992 5.8092 5.8092 5.8126 5.8126 7.4559 7.4559 8.0640 8.0640 10.5543 10.5543 10.5812 10.5812 10.7861 10.7861 13.8871 13.8871 k = 0.2500-0.1443 0.2041 ( 1828 PWs) bands (ev): -70.5148 -70.5148 -40.1425 -40.1425 -38.8812 -38.8812 -38.8794 -38.8794 -2.2641 -2.2641 4.6540 4.6540 5.8262 5.8262 5.8295 5.8295 7.4367 7.4367 8.0752 8.0752 10.4690 10.4690 10.4966 10.4966 10.6960 10.6960 13.8455 13.8455 k = 0.2583-0.1491 0.2109 ( 1828 PWs) bands (ev): -70.5148 -70.5148 -40.1427 -40.1427 -38.8814 -38.8814 -38.8795 -38.8795 -2.2156 -2.2156 4.6089 4.6089 5.8438 5.8438 5.8468 5.8468 7.4181 7.4181 8.0865 8.0865 10.3846 10.3846 10.4130 10.4130 10.6033 10.6033 13.8069 13.8069 k = 0.2667-0.1540 0.2177 ( 1828 PWs) bands (ev): -70.5148 -70.5148 -40.1428 -40.1428 -38.8816 -38.8816 -38.8796 -38.8796 -2.1665 -2.1665 4.5640 4.5640 5.8618 5.8618 5.8646 5.8646 7.4001 7.4001 8.0977 8.0977 10.3012 10.3012 10.3304 10.3304 10.5085 10.5085 13.7715 13.7715 k = 0.2750-0.1588 0.2245 ( 1828 PWs) bands (ev): -70.5148 -70.5148 -40.1429 -40.1429 -38.8818 -38.8818 -38.8796 -38.8796 -2.1170 -2.1170 4.5195 4.5195 5.8803 5.8803 5.8829 5.8829 7.3828 7.3828 8.1090 8.1090 10.2190 10.2190 10.2491 10.2491 10.4118 10.4118 13.7394 13.7394 k = 0.2833-0.1636 0.2313 ( 1832 PWs) bands (ev): -70.5148 -70.5148 -40.1430 -40.1430 -38.8820 -38.8820 -38.8797 -38.8797 -2.0671 -2.0671 4.4754 4.4754 5.8992 5.8992 5.9016 5.9016 7.3665 7.3665 8.1201 8.1201 10.1379 10.1379 10.1690 10.1690 10.3135 10.3135 13.7105 13.7105 k = 0.2917-0.1684 0.2381 ( 1832 PWs) bands (ev): -70.5148 -70.5148 -40.1431 -40.1431 -38.8822 -38.8822 -38.8798 -38.8798 -2.0170 -2.0170 4.4318 4.4318 5.9185 5.9185 5.9207 5.9207 7.3510 7.3510 8.1312 8.1312 10.0581 10.0581 10.0903 10.0903 10.2140 10.2140 13.6850 13.6850 k = 0.3000-0.1732 0.2449 ( 1840 PWs) bands (ev): -70.5148 -70.5148 -40.1433 -40.1433 -38.8823 -38.8823 -38.8799 -38.8799 -1.9669 -1.9669 4.3888 4.3888 5.9382 5.9382 5.9402 5.9402 7.3366 7.3366 8.1420 8.1420 9.9795 9.9795 10.0131 10.0131 10.1137 10.1137 13.6626 13.6626 k = 0.3083-0.1780 0.2518 ( 1840 PWs) bands (ev): -70.5147 -70.5147 -40.1434 -40.1434 -38.8825 -38.8825 -38.8800 -38.8800 -1.9168 -1.9168 4.3465 4.3465 5.9581 5.9581 5.9599 5.9599 7.3233 7.3233 8.1528 8.1528 9.9021 9.9021 9.9375 9.9375 10.0134 10.0134 13.6433 13.6433 k = 0.3167-0.1828 0.2586 ( 1836 PWs) bands (ev): -70.5147 -70.5147 -40.1435 -40.1435 -38.8827 -38.8827 -38.8801 -38.8801 -1.8669 -1.8669 4.3051 4.3051 5.9784 5.9784 5.9799 5.9799 7.3113 7.3113 8.1634 8.1634 9.8254 9.8254 9.8636 9.8636 9.9139 9.9139 13.6269 13.6269 k = 0.3250-0.1876 0.2654 ( 1832 PWs) bands (ev): -70.5147 -70.5147 -40.1436 -40.1436 -38.8829 -38.8829 -38.8802 -38.8802 -1.8174 -1.8174 4.2644 4.2644 5.9988 5.9988 6.0001 6.0001 7.3006 7.3006 8.1738 8.1738 9.7483 9.7483 9.7912 9.7912 9.8170 9.8170 13.6133 13.6133 k = 0.3333-0.1925 0.2722 ( 1832 PWs) bands (ev): -70.5147 -70.5147 -40.1437 -40.1437 -38.8830 -38.8830 -38.8803 -38.8803 -1.7684 -1.7684 4.2248 4.2248 6.0194 6.0194 6.0204 6.0204 7.2911 7.2911 8.1839 8.1839 9.6680 9.6680 9.7188 9.7188 9.7279 9.7279 13.6022 13.6022 k = 0.3417-0.1973 0.2790 ( 1832 PWs) bands (ev): -70.5147 -70.5147 -40.1438 -40.1438 -38.8832 -38.8832 -38.8804 -38.8804 -1.7201 -1.7201 4.1861 4.1861 6.0400 6.0400 6.0408 6.0408 7.2831 7.2831 8.1937 8.1937 9.5809 9.5809 9.6414 9.6414 9.6555 9.6555 13.5936 13.5936 k = 0.3500-0.2021 0.2858 ( 1832 PWs) bands (ev): -70.5146 -70.5146 -40.1439 -40.1439 -38.8834 -38.8834 -38.8804 -38.8804 -1.6727 -1.6727 4.1486 4.1486 6.0606 6.0606 6.0612 6.0612 7.2766 7.2766 8.2032 8.2032 9.4883 9.4883 9.5691 9.5691 9.5893 9.5893 13.5871 13.5871 k = 0.3583-0.2069 0.2926 ( 1832 PWs) bands (ev): -70.5146 -70.5146 -40.1440 -40.1440 -38.8835 -38.8835 -38.8805 -38.8805 -1.6263 -1.6263 4.1124 4.1124 6.0810 6.0810 6.0815 6.0815 7.2716 7.2716 8.2124 8.2124 9.3938 9.3938 9.5021 9.5021 9.5258 9.5258 13.5827 13.5827 k = 0.3667-0.2117 0.2994 ( 1820 PWs) bands (ev): -70.5146 -70.5146 -40.1441 -40.1441 -38.8837 -38.8837 -38.8806 -38.8806 -1.5812 -1.5812 4.0774 4.0774 6.1013 6.1013 6.1017 6.1017 7.2682 7.2682 8.2213 8.2213 9.3000 9.3000 9.4391 9.4391 9.4649 9.4649 13.5801 13.5801 k = 0.3750-0.2165 0.3062 ( 1828 PWs) bands (ev): -70.5146 -70.5146 -40.1442 -40.1442 -38.8838 -38.8838 -38.8807 -38.8807 -1.5375 -1.5375 4.0439 4.0439 6.1210 6.1210 6.1216 6.1216 7.2664 7.2664 8.2297 8.2297 9.2077 9.2077 9.3793 9.3793 9.4066 9.4066 13.5790 13.5790 k = 0.3833-0.2213 0.3130 ( 1816 PWs) bands (ev): -70.5145 -70.5145 -40.1443 -40.1443 -38.8839 -38.8839 -38.8807 -38.8807 -1.4954 -1.4954 4.0120 4.0120 6.1404 6.1404 6.1412 6.1412 7.2661 7.2661 8.2377 8.2377 9.1178 9.1178 9.3227 9.3227 9.3511 9.3511 13.5793 13.5793 k = 0.3917-0.2261 0.3198 ( 1816 PWs) bands (ev): -70.5145 -70.5145 -40.1444 -40.1444 -38.8841 -38.8841 -38.8808 -38.8808 -1.4551 -1.4551 3.9816 3.9816 6.1592 6.1592 6.1602 6.1602 7.2674 7.2674 8.2453 8.2453 9.0308 9.0308 9.2692 9.2692 9.2985 9.2985 13.5809 13.5809 k = 0.4000-0.2309 0.3266 ( 1808 PWs) bands (ev): -70.5145 -70.5145 -40.1444 -40.1444 -38.8842 -38.8842 -38.8808 -38.8808 -1.4169 -1.4169 3.9530 3.9530 6.1774 6.1774 6.1787 6.1787 7.2702 7.2702 8.2524 8.2524 8.9472 8.9472 9.2189 9.2189 9.2490 9.2490 13.5834 13.5834 k = 0.4083-0.2358 0.3334 ( 1816 PWs) bands (ev): -70.5145 -70.5145 -40.1445 -40.1445 -38.8843 -38.8843 -38.8809 -38.8809 -1.3808 -1.3808 3.9261 3.9261 6.1948 6.1948 6.1963 6.1963 7.2743 7.2743 8.2590 8.2590 8.8674 8.8674 9.1719 9.1719 9.2026 9.2026 13.5868 13.5868 k = 0.4167-0.2406 0.3402 ( 1816 PWs) bands (ev): -70.5145 -70.5145 -40.1446 -40.1446 -38.8844 -38.8844 -38.8809 -38.8809 -1.3471 -1.3471 3.9012 3.9012 6.2112 6.2112 6.2130 6.2130 7.2798 7.2798 8.2651 8.2651 8.7918 8.7918 9.1283 9.1283 9.1596 9.1596 13.5907 13.5907 k = 0.4250-0.2454 0.3470 ( 1816 PWs) bands (ev): -70.5145 -70.5145 -40.1446 -40.1446 -38.8845 -38.8845 -38.8810 -38.8810 -1.3159 -1.3159 3.8783 3.8783 6.2267 6.2267 6.2286 6.2286 7.2864 7.2864 8.2707 8.2707 8.7211 8.7211 9.0883 9.0883 9.1201 9.1201 13.5950 13.5950 k = 0.4333-0.2502 0.3538 ( 1816 PWs) bands (ev): -70.5145 -70.5145 -40.1447 -40.1447 -38.8846 -38.8846 -38.8810 -38.8810 -1.2875 -1.2875 3.8575 3.8575 6.2409 6.2409 6.2431 6.2431 7.2938 7.2938 8.2758 8.2758 8.6555 8.6555 9.0520 9.0520 9.0842 9.0842 13.5995 13.5995 k = 0.4417-0.2550 0.3606 ( 1820 PWs) bands (ev): -70.5145 -70.5145 -40.1447 -40.1447 -38.8846 -38.8846 -38.8811 -38.8811 -1.2620 -1.2620 3.8389 3.8389 6.2539 6.2539 6.2563 6.2563 7.3018 7.3018 8.2802 8.2802 8.5955 8.5955 9.0195 9.0195 9.0522 9.0522 13.6041 13.6041 k = 0.4500-0.2598 0.3674 ( 1820 PWs) bands (ev): -70.5145 -70.5145 -40.1448 -40.1448 -38.8847 -38.8847 -38.8811 -38.8811 -1.2396 -1.2396 3.8226 3.8226 6.2654 6.2654 6.2680 6.2680 7.3101 7.3101 8.2842 8.2842 8.5419 8.5419 8.9911 8.9911 9.0241 9.0241 13.6085 13.6085 k = 0.4583-0.2646 0.3742 ( 1804 PWs) bands (ev): -70.5144 -70.5144 -40.1448 -40.1448 -38.8847 -38.8847 -38.8811 -38.8811 -1.2204 -1.2204 3.8087 3.8087 6.2754 6.2754 6.2782 6.2782 7.3183 7.3183 8.2877 8.2877 8.4952 8.4952 8.9668 8.9668 9.0001 9.0001 13.6126 13.6126 k = 0.4667-0.2694 0.3810 ( 1804 PWs) bands (ev): -70.5144 -70.5144 -40.1448 -40.1448 -38.8848 -38.8848 -38.8811 -38.8811 -1.2044 -1.2044 3.7972 3.7972 6.2837 6.2837 6.2867 6.2867 7.3258 7.3258 8.2906 8.2906 8.4557 8.4557 8.9467 8.9467 8.9803 8.9803 13.6161 13.6161 k = 0.4750-0.2742 0.3878 ( 1804 PWs) bands (ev): -70.5144 -70.5144 -40.1449 -40.1449 -38.8848 -38.8848 -38.8812 -38.8812 -1.1919 -1.1919 3.7882 3.7882 6.2903 6.2903 6.2934 6.2934 7.3323 7.3323 8.2929 8.2929 8.4242 8.4242 8.9310 8.9310 8.9648 8.9648 13.6191 13.6191 k = 0.4833-0.2791 0.3946 ( 1804 PWs) bands (ev): -70.5144 -70.5144 -40.1449 -40.1449 -38.8849 -38.8849 -38.8812 -38.8812 -1.1830 -1.1830 3.7817 3.7817 6.2951 6.2951 6.2982 6.2982 7.3372 7.3372 8.2946 8.2946 8.4011 8.4011 8.9198 8.9198 8.9537 8.9537 13.6212 13.6212 k = 0.4917-0.2839 0.4014 ( 1800 PWs) bands (ev): -70.5144 -70.5144 -40.1449 -40.1449 -38.8849 -38.8849 -38.8812 -38.8812 -1.1776 -1.1776 3.7779 3.7779 6.2980 6.2980 6.3012 6.3012 7.3404 7.3404 8.2957 8.2957 8.3872 8.3872 8.9130 8.9130 8.9470 8.9470 13.6225 13.6225 k = 0.5000-0.2887 0.4082 ( 1804 PWs) bands (ev): -70.5144 -70.5144 -40.1449 -40.1449 -38.8849 -38.8849 -38.8812 -38.8812 -1.1758 -1.1758 3.7766 3.7766 6.2989 6.2989 6.3021 6.3021 7.3414 7.3414 8.2960 8.2960 8.3824 8.3824 8.9106 8.9106 8.9447 8.9447 13.6230 13.6230 k = 0.5000-0.2887 0.4082 ( 1804 PWs) bands (ev): -70.5144 -70.5144 -40.1449 -40.1449 -38.8849 -38.8849 -38.8812 -38.8812 -1.1758 -1.1758 3.7766 3.7766 6.2989 6.2989 6.3021 6.3021 7.3414 7.3414 8.2960 8.2960 8.3824 8.3824 8.9106 8.9106 8.9447 8.9447 13.6230 13.6230 k = 0.5000-0.2791 0.4151 ( 1798 PWs) bands (ev): -70.5144 -70.5144 -40.1449 -40.1449 -38.8849 -38.8848 -38.8812 -38.8812 -1.1763 -1.1752 3.7777 3.7778 6.2963 6.2983 6.3003 6.3022 7.3402 7.3421 8.2921 8.2973 8.3727 8.3845 8.9077 8.9175 8.9469 8.9499 13.6258 13.6269 k = 0.5000-0.2694 0.4219 ( 1798 PWs) bands (ev): -70.5144 -70.5144 -40.1449 -40.1449 -38.8849 -38.8848 -38.8812 -38.8812 -1.1767 -1.1745 3.7814 3.7816 6.2888 6.2933 6.2979 6.3023 7.3381 7.3420 8.2834 8.2959 8.3584 8.3782 8.9106 8.9213 8.9548 8.9677 13.6355 13.6377 k = 0.5000-0.2598 0.4287 ( 1806 PWs) bands (ev): -70.5144 -70.5144 -40.1450 -40.1448 -38.8849 -38.8848 -38.8812 -38.8812 -1.1772 -1.1739 3.7875 3.7878 6.2766 6.2829 6.2960 6.3021 7.3353 7.3410 8.2673 8.2913 8.3448 8.3655 8.9160 8.9214 8.9703 8.9967 13.6519 13.6552 k = 0.5000-0.2502 0.4355 ( 1810 PWs) bands (ev): -70.5145 -70.5145 -40.1450 -40.1448 -38.8850 -38.8847 -38.8812 -38.8812 -1.1776 -1.1732 3.7961 3.7964 6.2599 6.2679 6.2937 6.3016 7.3319 7.3394 8.2426 8.2812 8.3353 8.3510 8.9200 8.9204 8.9948 9.0325 13.6751 13.6794 k = 0.5000-0.2406 0.4423 ( 1812 PWs) bands (ev): -70.5145 -70.5145 -40.1450 -40.1448 -38.8850 -38.8847 -38.8812 -38.8812 -1.1779 -1.1724 3.8071 3.8075 6.2388 6.2483 6.2912 6.3009 7.3278 7.3371 8.2113 8.2629 8.3297 8.3395 8.9181 8.9231 9.0267 9.0723 13.7048 13.7102 k = 0.5000-0.2309 0.4491 ( 1812 PWs) bands (ev): -70.5145 -70.5145 -40.1450 -40.1448 -38.8850 -38.8846 -38.8812 -38.8812 -1.1781 -1.1717 3.8205 3.8210 6.2133 6.2244 6.2883 6.2998 7.3232 7.3343 8.1764 8.2369 8.3265 8.3327 8.9157 8.9247 9.0635 9.1145 13.7412 13.7475 k = 0.5000-0.2213 0.4559 ( 1812 PWs) bands (ev): -70.5145 -70.5145 -40.1451 -40.1447 -38.8850 -38.8846 -38.8813 -38.8813 -1.1784 -1.1708 3.8363 3.8370 6.1835 6.1960 6.2851 6.2983 7.3181 7.3309 8.1401 8.2063 8.3245 8.3290 8.9132 8.9254 9.1032 9.1579 13.7839 13.7911 k = 0.5000-0.2117 0.4627 ( 1816 PWs) bands (ev): -70.5145 -70.5145 -40.1451 -40.1447 -38.8850 -38.8845 -38.8813 -38.8813 -1.1785 -1.1700 3.8546 3.8553 6.1497 6.1633 6.2816 6.2966 7.3126 7.3269 8.1037 8.1734 8.3233 8.3271 8.9105 8.9256 9.1442 9.2014 13.8328 13.8410 k = 0.5000-0.2021 0.4695 ( 1816 PWs) bands (ev): -70.5145 -70.5145 -40.1451 -40.1447 -38.8850 -38.8845 -38.8813 -38.8813 -1.1787 -1.1691 3.8752 3.8760 6.1119 6.1266 6.2779 6.2945 7.3067 7.3226 8.0681 8.1402 8.3225 8.3261 8.9078 8.9254 9.1858 9.2447 13.8878 13.8968 k = 0.5000-0.1925 0.4763 ( 1820 PWs) bands (ev): -70.5145 -70.5145 -40.1451 -40.1447 -38.8850 -38.8844 -38.8814 -38.8813 -1.1787 -1.1682 3.8982 3.8991 6.0704 6.0859 6.2739 6.2922 7.3005 7.3179 8.0339 8.1074 8.3219 8.3254 8.9049 8.9249 9.2270 9.2870 13.9487 13.9585 k = 0.5000-0.1828 0.4831 ( 1816 PWs) bands (ev): -70.5145 -70.5145 -40.1451 -40.1446 -38.8850 -38.8844 -38.8814 -38.8814 -1.1788 -1.1673 3.9235 3.9245 6.0254 6.0415 6.2698 6.2896 7.2941 7.3129 8.0015 8.0759 8.3217 8.3253 8.9021 8.9242 9.2674 9.3282 14.0152 14.0257 k = 0.5000-0.1732 0.4899 ( 1818 PWs) bands (ev): -70.5145 -70.5145 -40.1452 -40.1446 -38.8850 -38.8843 -38.8814 -38.8814 -1.1788 -1.1664 3.9511 3.9521 5.9770 5.9937 6.2654 6.2868 7.2876 7.3076 7.9709 8.0458 8.3215 8.3253 8.8992 8.9232 9.3066 9.3677 14.0871 14.0983 k = 0.5000-0.1636 0.4967 ( 1814 PWs) bands (ev): -70.5145 -70.5145 -40.1452 -40.1446 -38.8850 -38.8842 -38.8815 -38.8814 -1.1788 -1.1655 3.9810 3.9821 5.9257 5.9427 6.2610 6.2839 7.2810 7.3023 7.9425 8.0176 8.3216 8.3255 8.8963 8.9221 9.3442 9.4056 14.1641 14.1760 k = 0.5000-0.1540 0.5035 ( 1818 PWs) bands (ev): -70.5145 -70.5145 -40.1452 -40.1446 -38.8850 -38.8842 -38.8815 -38.8815 -1.1787 -1.1646 4.0131 4.0142 5.8716 5.8889 6.2564 6.2807 7.2744 7.2968 7.9163 7.9912 8.3215 8.3257 8.8934 8.9209 9.3801 9.4415 14.2459 14.2583 k = 0.5000-0.1443 0.5103 ( 1826 PWs) bands (ev): -70.5145 -70.5145 -40.1452 -40.1446 -38.8849 -38.8841 -38.8816 -38.8815 -1.1787 -1.1638 4.0474 4.0486 5.8151 5.8325 6.2518 6.2775 7.2679 7.2913 7.8922 7.9668 8.3216 8.3260 8.8905 8.9195 9.4140 9.4753 14.3321 14.3451 k = 0.5000-0.1347 0.5171 ( 1826 PWs) bands (ev): -70.5145 -70.5145 -40.1452 -40.1445 -38.8849 -38.8840 -38.8816 -38.8815 -1.1786 -1.1629 4.0838 4.0850 5.7565 5.7739 6.2472 6.2742 7.2615 7.2859 7.8702 7.9445 8.3218 8.3264 8.8878 8.9181 9.4458 9.5070 14.4224 14.4359 k = 0.5000-0.1251 0.5239 ( 1826 PWs) bands (ev): -70.5145 -70.5145 -40.1452 -40.1445 -38.8849 -38.8839 -38.8817 -38.8816 -1.1785 -1.1621 4.1222 4.1234 5.6961 5.7135 6.2426 6.2708 7.2554 7.2807 7.8504 7.9241 8.3220 8.3268 8.8852 8.9167 9.4755 9.5365 14.5163 14.5302 k = 0.5000-0.1155 0.5307 ( 1826 PWs) bands (ev): -70.5145 -70.5145 -40.1453 -40.1445 -38.8849 -38.8839 -38.8817 -38.8816 -1.1783 -1.1613 4.1626 4.1639 5.6343 5.6515 6.2382 6.2675 7.2495 7.2756 7.8324 7.9056 8.3222 8.3271 8.8827 8.9152 9.5030 9.5638 14.6133 14.6277 k = 0.5000-0.1058 0.5375 ( 1826 PWs) bands (ev): -70.5145 -70.5145 -40.1453 -40.1445 -38.8849 -38.8838 -38.8818 -38.8816 -1.1782 -1.1605 4.2049 4.2061 5.5713 5.5885 6.2338 6.2642 7.2440 7.2708 7.8164 7.8890 8.3224 8.3275 8.8803 8.9138 9.5283 9.5888 14.7128 14.7276 k = 0.5000-0.0962 0.5443 ( 1824 PWs) bands (ev): -70.5145 -70.5145 -40.1453 -40.1445 -38.8849 -38.8837 -38.8819 -38.8816 -1.1781 -1.1598 4.2490 4.2501 5.5076 5.5247 6.2297 6.2611 7.2388 7.2663 7.8022 7.8741 8.3227 8.3280 8.8781 8.9125 9.5513 9.6116 14.8140 14.8292 k = 0.5000-0.0866 0.5511 ( 1828 PWs) bands (ev): -70.5145 -70.5145 -40.1453 -40.1445 -38.8848 -38.8836 -38.8819 -38.8817 -1.1779 -1.1591 4.2947 4.2957 5.4435 5.4604 6.2258 6.2580 7.2340 7.2620 7.7896 7.8610 8.3229 8.3283 8.8760 8.9111 9.5721 9.6321 14.9161 14.9316 k = 0.5000-0.0770 0.5579 ( 1828 PWs) bands (ev): -70.5145 -70.5145 -40.1453 -40.1445 -38.8848 -38.8835 -38.8820 -38.8817 -1.1778 -1.1585 4.3418 4.3426 5.3793 5.3963 6.2222 6.2552 7.2296 7.2582 7.7787 7.8495 8.3231 8.3287 8.8741 8.9099 9.5906 9.6503 15.0179 15.0337 k = 0.5000-0.0674 0.5647 ( 1828 PWs) bands (ev): -70.5145 -70.5145 -40.1453 -40.1445 -38.8848 -38.8835 -38.8820 -38.8817 -1.1777 -1.1580 4.3901 4.3907 5.3155 5.3326 6.2189 6.2526 7.2257 7.2547 7.7692 7.8395 8.3233 8.3290 8.8724 8.9088 9.6069 9.6664 15.1179 15.1340 k = 0.5000-0.0577 0.5715 ( 1832 PWs) bands (ev): -70.5145 -70.5145 -40.1453 -40.1444 -38.8848 -38.8834 -38.8821 -38.8818 -1.1776 -1.1575 4.4392 4.4393 5.2527 5.2700 6.2159 6.2503 7.2222 7.2516 7.7612 7.8310 8.3234 8.3292 8.8709 8.9077 9.6209 9.6802 15.2144 15.2309 k = 0.5000-0.0481 0.5784 ( 1828 PWs) bands (ev): -70.5145 -70.5145 -40.1453 -40.1444 -38.8848 -38.8833 -38.8822 -38.8818 -1.1774 -1.1571 4.4881 4.4886 5.1916 5.2093 6.2134 6.2482 7.2193 7.2490 7.7545 7.8239 8.3237 8.3296 8.8697 8.9069 9.6328 9.6919 15.3051 15.3219 k = 0.5000-0.0385 0.5852 ( 1828 PWs) bands (ev): -70.5145 -70.5145 -40.1453 -40.1444 -38.8848 -38.8833 -38.8822 -38.8818 -1.1774 -1.1567 4.5358 4.5372 5.1331 5.1517 6.2113 6.2465 7.2169 7.2468 7.7491 7.8182 8.3238 8.3298 8.8686 8.9061 9.6424 9.7014 15.3871 15.4043 k = 0.5000-0.0289 0.5920 ( 1828 PWs) bands (ev): -70.5145 -70.5145 -40.1453 -40.1444 -38.8848 -38.8832 -38.8823 -38.8818 -1.1773 -1.1564 4.5807 4.5834 5.0791 5.0989 6.2096 6.2452 7.2150 7.2451 7.7450 7.8138 8.3239 8.3299 8.8678 8.9055 9.6499 9.7087 15.4569 15.4744 k = 0.5000-0.0192 0.5988 ( 1828 PWs) bands (ev): -70.5145 -70.5145 -40.1453 -40.1444 -38.8848 -38.8832 -38.8823 -38.8818 -1.1772 -1.1562 4.6198 4.6242 5.0328 5.0541 6.2084 6.2442 7.2136 7.2439 7.7420 7.8106 8.3240 8.3300 8.8672 8.9051 9.6553 9.7140 15.5108 15.5286 k = 0.5000-0.0096 0.6056 ( 1836 PWs) bands (ev): -70.5145 -70.5145 -40.1453 -40.1444 -38.8848 -38.8831 -38.8823 -38.8818 -1.1772 -1.1561 4.6478 4.6540 4.9995 5.0227 6.2076 6.2436 7.2128 7.2432 7.7402 7.8087 8.3240 8.3301 8.8668 8.9049 9.6584 9.7171 15.5450 15.5630 k = 0.5000-0.0000 0.6124 ( 1856 PWs) bands (ev): -70.5146 -70.5146 -40.1453 -40.1444 -38.8848 -38.8831 -38.8824 -38.8818 -1.1772 -1.1561 4.6582 4.6653 4.9871 5.0110 6.2073 6.2434 7.2124 7.2428 7.7395 7.8079 8.3238 8.3299 8.8665 8.9046 9.6594 9.7180 15.5567 15.5748 k = 0.5000-0.0000 0.6124 ( 1856 PWs) bands (ev): -70.5146 -70.5146 -40.1453 -40.1444 -38.8848 -38.8831 -38.8824 -38.8818 -1.1772 -1.1561 4.6582 4.6653 4.9871 5.0110 6.2073 6.2434 7.2124 7.2428 7.7395 7.8079 8.3238 8.3299 8.8665 8.9046 9.6594 9.7180 15.5567 15.5748 k = 0.4940 0.0103 0.6124 ( 1832 PWs) bands (ev): -70.5145 -70.5145 -40.1453 -40.1444 -38.8848 -38.8831 -38.8823 -38.8818 -1.1776 -1.1565 4.6531 4.6597 4.9929 5.0164 6.2071 6.2431 7.2133 7.2438 7.7406 7.8091 8.3241 8.3306 8.8670 8.9055 9.6597 9.7184 15.5497 15.5678 k = 0.4881 0.0206 0.6124 ( 1832 PWs) bands (ev): -70.5145 -70.5145 -40.1453 -40.1444 -38.8848 -38.8832 -38.8823 -38.8818 -1.1787 -1.1576 4.6388 4.6443 5.0087 5.0312 6.2064 6.2422 7.2155 7.2464 7.7435 7.8120 8.3241 8.3319 8.8682 8.9078 9.6603 9.7190 15.5277 15.5459 k = 0.4821 0.0309 0.6124 ( 1832 PWs) bands (ev): -70.5145 -70.5145 -40.1453 -40.1444 -38.8848 -38.8832 -38.8823 -38.8818 -1.1803 -1.1594 4.6180 4.6222 5.0313 5.0527 6.2053 6.2407 7.2188 7.2504 7.7486 7.8172 8.3240 8.3339 8.8703 8.9119 9.6611 9.7198 15.4898 15.5082 k = 0.4762 0.0412 0.6124 ( 1832 PWs) bands (ev): -70.5145 -70.5145 -40.1453 -40.1444 -38.8848 -38.8832 -38.8823 -38.8818 -1.1825 -1.1617 4.5930 4.5960 5.0580 5.0785 6.2037 6.2386 7.2227 7.2554 7.7560 7.8247 8.3237 8.3363 8.8735 8.9178 9.6620 9.7207 15.4358 15.4546 k = 0.4702 0.0515 0.6124 ( 1832 PWs) bands (ev): -70.5145 -70.5145 -40.1453 -40.1444 -38.8848 -38.8832 -38.8822 -38.8818 -1.1851 -1.1644 4.5657 4.5679 5.0865 5.1066 6.2016 6.2359 7.2271 7.2611 7.7657 7.8345 8.3232 8.3389 8.8780 8.9255 9.6630 9.7216 15.3668 15.3860 k = 0.4643 0.0619 0.6124 ( 1836 PWs) bands (ev): -70.5145 -70.5145 -40.1453 -40.1444 -38.8848 -38.8833 -38.8822 -38.8817 -1.1880 -1.1675 4.5375 4.5391 5.1155 5.1356 6.1991 6.2326 7.2317 7.2672 7.7778 7.8467 8.3226 8.3415 8.8840 8.9351 9.6638 9.7223 15.2848 15.3043 k = 0.4583 0.0722 0.6124 ( 1832 PWs) bands (ev): -70.5145 -70.5145 -40.1453 -40.1444 -38.8848 -38.8833 -38.8821 -38.8817 -1.1911 -1.1708 4.5092 4.5106 5.1442 5.1645 6.1963 6.2288 7.2362 7.2734 7.7922 7.8610 8.3218 8.3440 8.8918 8.9467 9.6644 9.7228 15.1925 15.2122 k = 0.4524 0.0825 0.6124 ( 1834 PWs) bands (ev): -70.5145 -70.5145 -40.1453 -40.1444 -38.8848 -38.8833 -38.8821 -38.8817 -1.1944 -1.1743 4.4814 4.4830 5.1719 5.1927 6.1931 6.2246 7.2406 7.2795 7.8083 7.8769 8.3210 8.3463 8.9013 8.9602 9.6648 9.7229 15.0931 15.1128 k = 0.4464 0.0928 0.6124 ( 1834 PWs) bands (ev): -70.5145 -70.5145 -40.1453 -40.1444 -38.8848 -38.8834 -38.8820 -38.8816 -1.1978 -1.1779 4.4547 4.4565 5.1982 5.2197 6.1897 6.2199 7.2446 7.2853 7.8261 7.8942 8.3200 8.3483 8.9126 8.9754 9.6649 9.7225 14.9895 15.0090 k = 0.4405 0.1031 0.6124 ( 1834 PWs) bands (ev): -70.5145 -70.5145 -40.1453 -40.1444 -38.8848 -38.8834 -38.8820 -38.8816 -1.2011 -1.1814 4.4295 4.4315 5.2229 5.2452 6.1861 6.2149 7.2483 7.2906 7.8449 7.9123 8.3191 8.3500 8.9258 8.9922 9.6647 9.7216 14.8848 14.9038 k = 0.4345 0.1134 0.6124 ( 1833 PWs) bands (ev): -70.5145 -70.5145 -40.1452 -40.1444 -38.8848 -38.8835 -38.8820 -38.8816 -1.2044 -1.1849 4.4059 4.4082 5.2457 5.2690 6.1825 6.2098 7.2516 7.2954 7.8643 7.9307 8.3181 8.3511 8.9407 9.0105 9.6641 9.7202 14.7814 14.7996 k = 0.4286 0.1237 0.6124 ( 1831 PWs) bands (ev): -70.5145 -70.5145 -40.1452 -40.1444 -38.8848 -38.8835 -38.8819 -38.8815 -1.2075 -1.1883 4.3842 4.3867 5.2666 5.2908 6.1788 6.2045 7.2546 7.2997 7.8838 7.9487 8.3174 8.3518 8.9571 9.0298 9.6632 9.7180 14.6816 14.6989 k = 0.4226 0.1340 0.6124 ( 1829 PWs) bands (ev): -70.5145 -70.5145 -40.1452 -40.1444 -38.8849 -38.8835 -38.8819 -38.8815 -1.2105 -1.1915 4.3645 4.3672 5.2855 5.3106 6.1753 6.1992 7.2572 7.3034 7.9028 7.9659 8.3168 8.3521 8.9745 9.0498 9.6621 9.7152 14.5873 14.6035 k = 0.4167 0.1443 0.6124 ( 1833 PWs) bands (ev): -70.5145 -70.5145 -40.1452 -40.1444 -38.8849 -38.8835 -38.8818 -38.8815 -1.2132 -1.1944 4.3469 4.3497 5.3022 5.3282 6.1720 6.1941 7.2593 7.3066 7.9209 7.9817 8.3164 8.3518 8.9924 9.0698 9.6608 9.7118 14.5003 14.5151 k = 0.4107 0.1546 0.6124 ( 1829 PWs) bands (ev): -70.5145 -70.5145 -40.1452 -40.1444 -38.8849 -38.8836 -38.8818 -38.8814 -1.2156 -1.1970 4.3315 4.3344 5.3168 5.3436 6.1689 6.1893 7.2612 7.3093 7.9377 7.9958 8.3165 8.3511 9.0104 9.0894 9.6595 9.7078 14.4220 14.4353 k = 0.4048 0.1650 0.6124 ( 1832 PWs) bands (ev): -70.5145 -70.5145 -40.1452 -40.1444 -38.8849 -38.8836 -38.8818 -38.8814 -1.2178 -1.1993 4.3184 4.3214 5.3292 5.3567 6.1663 6.1848 7.2627 7.3115 7.9527 8.0078 8.3169 8.3501 9.0276 9.1076 9.6582 9.7035 14.3538 14.3652 k = 0.3988 0.1753 0.6124 ( 1830 PWs) bands (ev): -70.5145 -70.5145 -40.1452 -40.1444 -38.8849 -38.8836 -38.8818 -38.8814 -1.2196 -1.2012 4.3075 4.3107 5.3394 5.3675 6.1641 6.1809 7.2640 7.3133 7.9656 8.0175 8.3176 8.3488 9.0431 9.1239 9.6573 9.6990 14.2966 14.3061 k = 0.3929 0.1856 0.6124 ( 1834 PWs) bands (ev): -70.5146 -70.5145 -40.1452 -40.1444 -38.8849 -38.8836 -38.8817 -38.8814 -1.2210 -1.2028 4.2991 4.3023 5.3473 5.3759 6.1624 6.1776 7.2649 7.3147 7.9761 8.0249 8.3185 8.3474 9.0564 9.1375 9.6566 9.6947 14.2514 14.2588 k = 0.3869 0.1959 0.6124 ( 1834 PWs) bands (ev): -70.5146 -70.5146 -40.1452 -40.1444 -38.8849 -38.8836 -38.8817 -38.8814 -1.2220 -1.2039 4.2930 4.2963 5.3530 5.3820 6.1612 6.1751 7.2656 7.3156 7.9839 8.0301 8.3194 8.3462 9.0665 9.1477 9.6564 9.6910 14.2189 14.2242 k = 0.3810 0.2062 0.6124 ( 1836 PWs) bands (ev): -70.5146 -70.5146 -40.1452 -40.1444 -38.8849 -38.8836 -38.8817 -38.8814 -1.2226 -1.2045 4.2894 4.2927 5.3564 5.3856 6.1605 6.1736 7.2660 7.3162 7.9887 8.0331 8.3201 8.3452 9.0728 9.1540 9.6563 9.6885 14.1995 14.2029 k = 0.3750 0.2165 0.6124 ( 1838 PWs) bands (ev): -70.5146 -70.5146 -40.1452 -40.1444 -38.8849 -38.8836 -38.8817 -38.8814 -1.2229 -1.2048 4.2882 4.2914 5.3575 5.3868 6.1603 6.1731 7.2661 7.3163 7.9904 8.0341 8.3203 8.3449 9.0749 9.1562 9.6564 9.6876 14.1932 14.1956 k = 0.3750 0.2165 0.6124 ( 1838 PWs) bands (ev): -70.5146 -70.5146 -40.1452 -40.1444 -38.8849 -38.8836 -38.8817 -38.8814 -1.2229 -1.2048 4.2882 4.2914 5.3575 5.3868 6.1603 6.1731 7.2661 7.3163 7.9904 8.0341 8.3203 8.3449 9.0749 9.1562 9.6564 9.6876 14.1932 14.1956 k = 0.3690 0.2131 0.6027 ( 1832 PWs) bands (ev): -70.5145 -70.5145 -40.1452 -40.1444 -38.8849 -38.8836 -38.8817 -38.8813 -1.2317 -1.2133 4.3334 4.3369 5.2873 5.3157 6.1500 6.1631 7.2784 7.3295 7.9738 8.0175 8.3504 8.3740 9.0667 9.1487 9.7148 9.7457 14.2233 14.2261 k = 0.3631 0.2096 0.5929 ( 1832 PWs) bands (ev): -70.5146 -70.5145 -40.1451 -40.1443 -38.8849 -38.8835 -38.8817 -38.8813 -1.2417 -1.2230 4.3798 4.3836 5.2182 5.2457 6.1396 6.1531 7.2933 7.3453 7.9574 8.0009 8.3821 8.4048 9.0573 9.1402 9.7745 9.8051 14.2542 14.2576 k = 0.3571 0.2062 0.5832 ( 1832 PWs) bands (ev): -70.5146 -70.5146 -40.1451 -40.1443 -38.8848 -38.8834 -38.8817 -38.8813 -1.2531 -1.2342 4.4271 4.4312 5.1508 5.1774 6.1292 6.1430 7.3109 7.3637 7.9410 7.9845 8.4151 8.4372 9.0472 9.1310 9.8354 9.8658 14.2863 14.2901 k = 0.3512 0.2028 0.5735 ( 1824 PWs) bands (ev): -70.5145 -70.5145 -40.1451 -40.1443 -38.8848 -38.8834 -38.8817 -38.8812 -1.2659 -1.2469 4.4753 4.4797 5.0856 5.1111 6.1188 6.1329 7.3312 7.3848 7.9249 7.9682 8.4491 8.4707 9.0367 9.1216 9.8974 9.9276 14.3195 14.3238 k = 0.3452 0.1993 0.5638 ( 1828 PWs) bands (ev): -70.5145 -70.5145 -40.1451 -40.1442 -38.8848 -38.8833 -38.8817 -38.8812 -1.2802 -1.2611 4.5242 4.5288 5.0227 5.0472 6.1084 6.1227 7.3541 7.4085 7.9088 7.9520 8.4837 8.5050 9.0261 9.1120 9.9605 9.9905 14.3540 14.3588 k = 0.3393 0.1959 0.5541 ( 1828 PWs) bands (ev): -70.5146 -70.5146 -40.1450 -40.1442 -38.8848 -38.8833 -38.8817 -38.8812 -1.2960 -1.2769 4.5735 4.5783 4.9627 4.9862 6.0980 6.1125 7.3795 7.4348 7.8929 7.9360 8.5187 8.5396 9.0159 9.1029 10.0246 10.0543 14.3898 14.3951 k = 0.3333 0.1925 0.5443 ( 1842 PWs) bands (ev): -70.5146 -70.5146 -40.1450 -40.1442 -38.8847 -38.8833 -38.8816 -38.8811 -1.3134 -1.2944 4.6230 4.6278 4.9059 4.9286 6.0875 6.1023 7.4074 7.4636 7.8771 7.9201 8.5535 8.5739 9.0068 9.0946 10.0896 10.1191 14.4272 14.4329 k = 0.3274 0.1890 0.5346 ( 1830 PWs) bands (ev): -70.5146 -70.5146 -40.1450 -40.1441 -38.8847 -38.8832 -38.8815 -38.8811 -1.3325 -1.3137 4.6723 4.6768 4.8530 4.8750 6.0771 6.0921 7.4379 7.4952 7.8618 7.9048 8.5879 8.6075 8.9998 9.0880 10.1555 10.1848 14.4661 14.4723 k = 0.3214 0.1856 0.5249 ( 1826 PWs) bands (ev): -70.5146 -70.5146 -40.1449 -40.1441 -38.8847 -38.8832 -38.8815 -38.8810 -1.3533 -1.3347 4.7190 4.7224 4.8060 4.8283 6.0668 6.0820 7.4707 7.5290 7.8469 7.8898 8.6210 8.6391 8.9958 9.0838 10.2222 10.2512 14.5066 14.5133 k = 0.3155 0.1821 0.5152 ( 1826 PWs) bands (ev): -70.5146 -70.5146 -40.1449 -40.1440 -38.8846 -38.8832 -38.8814 -38.8809 -1.3759 -1.3576 4.7384 4.7448 4.7899 4.8083 6.0564 6.0718 7.5057 7.5651 7.8323 7.8752 8.6521 8.6677 8.9962 9.0828 10.2896 10.3184 14.5487 14.5559 k = 0.3095 0.1787 0.5055 ( 1826 PWs) bands (ev): -70.5146 -70.5146 -40.1448 -40.1440 -38.8846 -38.8831 -38.8813 -38.8809 -1.4002 -1.3822 4.7051 4.7173 4.8301 4.8417 6.0462 6.0616 7.5425 7.6031 7.8183 7.8612 8.6807 8.6921 9.0025 9.0860 10.3576 10.3862 14.5925 14.6002 k = 0.3036 0.1753 0.4957 ( 1820 PWs) bands (ev): -70.5146 -70.5146 -40.1448 -40.1439 -38.8845 -38.8831 -38.8812 -38.8808 -1.4263 -1.4087 4.6677 4.6804 4.8777 4.8880 6.0359 6.0515 7.5811 7.6429 7.8049 7.8479 8.7059 8.7115 9.0161 9.0947 10.4261 10.4545 14.6380 14.6463 k = 0.2976 0.1718 0.4860 ( 1820 PWs) bands (ev): -70.5146 -70.5146 -40.1447 -40.1439 -38.8844 -38.8831 -38.8811 -38.8807 -1.4542 -1.4371 4.6333 4.6453 4.9258 4.9357 6.0256 6.0413 7.6206 7.6833 7.7927 7.8356 8.7256 8.7275 9.0373 9.1093 10.4950 10.5232 14.6853 14.6941 k = 0.2917 0.1684 0.4763 ( 1820 PWs) bands (ev): -70.5146 -70.5146 -40.1446 -40.1438 -38.8844 -38.8830 -38.8810 -38.8806 -1.4839 -1.4672 4.6027 4.6137 4.9734 4.9833 6.0153 6.0311 7.6603 7.7222 7.7837 7.8248 8.7355 8.7456 9.0658 9.1304 10.5643 10.5923 14.7343 14.7435 k = 0.2857 0.1650 0.4666 ( 1828 PWs) bands (ev): -70.5146 -70.5146 -40.1446 -40.1438 -38.8843 -38.8830 -38.8809 -38.8805 -1.5153 -1.4992 4.5760 4.5859 5.0202 5.0302 6.0050 6.0208 7.6983 7.7468 7.7898 7.8169 8.7430 8.7609 9.1006 9.1576 10.6338 10.6617 14.7848 14.7947 k = 0.2798 0.1615 0.4568 ( 1832 PWs) bands (ev): -70.5146 -70.5146 -40.1445 -40.1437 -38.8842 -38.8830 -38.8808 -38.8805 -1.5484 -1.5328 4.5534 4.5621 5.0659 5.0760 5.9946 6.0105 7.7299 7.7448 7.8160 7.8229 8.7502 8.7748 9.1404 9.1905 10.7035 10.7312 14.8371 14.8475 k = 0.2738 0.1581 0.4471 ( 1832 PWs) bands (ev): -70.5146 -70.5146 -40.1444 -40.1437 -38.8841 -38.8829 -38.8807 -38.8804 -1.5831 -1.5681 4.5349 4.5424 5.1105 5.1207 5.9843 6.0002 7.7359 7.7470 7.8297 7.8623 8.7591 8.7890 9.1841 9.2284 10.7733 10.8008 14.8909 14.9018 k = 0.2679 0.1546 0.4374 ( 1830 PWs) bands (ev): -70.5146 -70.5146 -40.1443 -40.1436 -38.8840 -38.8829 -38.8806 -38.8803 -1.6193 -1.6050 4.5205 4.5267 5.1536 5.1639 5.9739 5.9897 7.7263 7.7490 7.8578 7.9011 8.7717 8.8052 9.2310 9.2703 10.8431 10.8704 14.9460 14.9575 k = 0.2619 0.1512 0.4277 ( 1830 PWs) bands (ev): -70.5147 -70.5147 -40.1442 -40.1435 -38.8839 -38.8828 -38.8805 -38.8802 -1.6570 -1.6433 4.5100 4.5151 5.1953 5.2056 5.9635 5.9792 7.7169 7.7443 7.8908 7.9370 8.7898 8.8252 9.2805 9.3157 10.9127 10.9398 15.0024 15.0144 k = 0.2560 0.1478 0.4180 ( 1831 PWs) bands (ev): -70.5147 -70.5147 -40.1441 -40.1435 -38.8838 -38.8827 -38.8804 -38.8801 -1.6961 -1.6831 4.5035 4.5074 5.2353 5.2457 5.9529 5.9687 7.7080 7.7375 7.9231 7.9686 8.8150 8.8504 9.3322 9.3640 10.9821 11.0090 15.0598 15.0724 k = 0.2500 0.1443 0.4082 ( 1829 PWs) bands (ev): -70.5147 -70.5147 -40.1440 -40.1434 -38.8837 -38.8826 -38.8803 -38.8800 -1.7365 -1.7241 4.5009 4.5035 5.2735 5.2839 5.9423 5.9580 7.6998 7.7303 7.9524 7.9951 8.8485 8.8824 9.3857 9.4147 11.0511 11.0779 15.1179 15.1309 k = 0.2440 0.1409 0.3985 ( 1837 PWs) bands (ev): -70.5147 -70.5147 -40.1439 -40.1433 -38.8836 -38.8826 -38.8802 -38.8799 -1.7780 -1.7663 4.5019 4.5034 5.3099 5.3203 5.9316 5.9471 7.6922 7.7232 7.9771 8.0156 8.8910 8.9220 9.4409 9.4676 11.1196 11.1462 15.1761 15.1897 k = 0.2381 0.1375 0.3888 ( 1843 PWs) bands (ev): -70.5147 -70.5147 -40.1438 -40.1432 -38.8834 -38.8825 -38.8800 -38.8798 -1.8205 -1.8096 4.5066 4.5070 5.3444 5.3547 5.9208 5.9361 7.6856 7.7166 7.9969 8.0303 8.9430 8.9700 9.4977 9.5225 11.1875 11.2140 15.2341 15.2481 k = 0.2321 0.1340 0.3791 ( 1841 PWs) bands (ev): -70.5148 -70.5147 -40.1437 -40.1431 -38.8833 -38.8824 -38.8799 -38.8797 -1.8640 -1.8537 4.5141 4.5147 5.3770 5.3872 5.9099 5.9250 7.6798 7.7108 8.0117 8.0394 9.0041 9.0265 9.5560 9.5792 11.2548 11.2811 15.2910 15.3054 k = 0.2262 0.1306 0.3694 ( 1845 PWs) bands (ev): -70.5148 -70.5148 -40.1436 -40.1431 -38.8831 -38.8823 -38.8798 -38.8796 -1.9083 -1.8986 4.5246 4.5262 5.4075 5.4175 5.8988 5.9138 7.6749 7.7056 8.0214 8.0435 9.0737 9.0914 9.6157 9.6376 11.3212 11.3473 15.3456 15.3602 k = 0.2202 0.1272 0.3596 ( 1849 PWs) bands (ev): -70.5148 -70.5148 -40.1435 -40.1430 -38.8830 -38.8822 -38.8797 -38.8795 -1.9532 -1.9442 4.5382 4.5408 5.4360 5.4458 5.8876 5.9024 7.6708 7.7013 8.0268 8.0434 9.1511 9.1641 9.6769 9.6977 11.3867 11.4126 15.3965 15.4112 k = 0.2143 0.1237 0.3499 ( 1853 PWs) bands (ev): -70.5148 -70.5148 -40.1434 -40.1429 -38.8828 -38.8820 -38.8796 -38.8794 -1.9987 -1.9903 4.5550 4.5584 5.4624 5.4720 5.8764 5.8909 7.6678 7.6978 8.0284 8.0398 9.2354 9.2440 9.7396 9.7594 11.4512 11.4769 15.4417 15.4560 k = 0.2083 0.1203 0.3402 ( 1849 PWs) bands (ev): -70.5148 -70.5148 -40.1432 -40.1428 -38.8826 -38.8819 -38.8795 -38.8793 -2.0445 -2.0367 4.5746 4.5788 5.4867 5.4961 5.8650 5.8792 7.6656 7.6952 8.0269 8.0338 9.3259 9.3304 9.8039 9.8228 11.5144 11.5399 15.4782 15.4919 k = 0.2024 0.1168 0.3305 ( 1849 PWs) bands (ev): -70.5148 -70.5148 -40.1431 -40.1427 -38.8824 -38.8818 -38.8794 -38.8793 -2.0906 -2.0834 4.5969 4.6019 5.5090 5.5180 5.8535 5.8675 7.6644 7.6935 8.0229 8.0258 9.4216 9.4225 9.8696 9.8879 11.5764 11.6016 15.5027 15.5151 k = 0.1964 0.1134 0.3208 ( 1851 PWs) bands (ev): -70.5149 -70.5149 -40.1430 -40.1426 -38.8823 -38.8817 -38.8793 -38.8792 -2.1368 -2.1302 4.6216 4.6274 5.5292 5.5379 5.8419 5.8556 7.6642 7.6926 8.0164 8.0171 9.5196 9.5220 9.9368 9.9546 11.6370 11.6620 15.5115 15.5221 k = 0.1905 0.1100 0.3110 ( 1851 PWs) bands (ev): -70.5149 -70.5149 -40.1429 -40.1425 -38.8821 -38.8815 -38.8792 -38.8791 -2.1830 -2.1770 4.6488 4.6551 5.5473 5.5557 5.8302 5.8435 7.6648 7.6927 8.0062 8.0099 9.6210 9.6263 10.0058 10.0232 11.6960 11.7207 15.5022 15.5105 k = 0.1845 0.1065 0.3013 ( 1857 PWs) bands (ev): -70.5149 -70.5149 -40.1427 -40.1424 -38.8819 -38.8814 -38.8791 -38.8790 -2.2291 -2.2236 4.6780 4.6849 5.5634 5.5714 5.8184 5.8314 7.6663 7.6935 7.9954 8.0017 9.7260 9.7340 10.0764 10.0936 11.7534 11.7778 15.4744 15.4803 k = 0.1786 0.1031 0.2916 ( 1857 PWs) bands (ev): -70.5149 -70.5149 -40.1426 -40.1423 -38.8817 -38.8812 -38.8790 -38.8789 -2.2749 -2.2699 4.7091 4.7166 5.5776 5.5853 5.8066 5.8193 7.6687 7.6953 7.9845 7.9929 9.8340 9.8444 10.1490 10.1662 11.8091 11.8332 15.4304 15.4338 k = 0.1726 0.0997 0.2819 ( 1841 PWs) bands (ev): -70.5149 -70.5149 -40.1425 -40.1422 -38.8815 -38.8811 -38.8789 -38.8788 -2.3203 -2.3157 4.7421 4.7500 5.5899 5.5973 5.7948 5.8071 7.6721 7.6980 7.9736 7.9839 9.9444 9.9571 10.2239 10.2412 11.8630 11.8868 15.3736 15.3747 k = 0.1667 0.0962 0.2722 ( 1841 PWs) bands (ev): -70.5149 -70.5149 -40.1424 -40.1421 -38.8813 -38.8809 -38.8788 -38.8787 -2.3652 -2.3611 4.7766 4.7848 5.6004 5.6074 5.7829 5.7948 7.6762 7.7013 7.9630 7.9747 10.0563 10.0711 10.3009 10.3186 11.9150 11.9384 15.3064 15.3073 k = 0.1607 0.0928 0.2624 ( 1845 PWs) bands (ev): -70.5149 -70.5149 -40.1422 -40.1420 -38.8811 -38.8807 -38.8787 -38.8787 -2.4095 -2.4058 4.8123 4.8209 5.6091 5.6157 5.7711 5.7826 7.6811 7.7055 7.9526 7.9656 10.1688 10.1857 10.3808 10.3990 11.9650 11.9880 15.2316 15.2344 k = 0.1548 0.0894 0.2527 ( 1845 PWs) bands (ev): -70.5149 -70.5149 -40.1421 -40.1419 -38.8809 -38.8806 -38.8787 -38.8786 -2.4531 -2.4497 4.8492 4.8580 5.6162 5.6225 5.7592 5.7704 7.6866 7.7102 7.9429 7.9568 10.2810 10.2998 10.4644 10.4833 12.0128 12.0354 15.1526 15.1570 k = 0.1488 0.0859 0.2430 ( 1849 PWs) bands (ev): -70.5150 -70.5150 -40.1420 -40.1418 -38.8807 -38.8804 -38.8786 -38.8785 -2.4958 -2.4929 4.8870 4.8959 5.6216 5.6276 5.7475 5.7583 7.6928 7.7157 7.9336 7.9483 10.3916 10.4118 10.5528 10.5720 12.0586 12.0807 15.0707 15.0767 k = 0.1429 0.0825 0.2333 ( 1849 PWs) bands (ev): -70.5150 -70.5150 -40.1419 -40.1417 -38.8805 -38.8802 -38.8785 -38.8784 -2.5376 -2.5350 4.9255 4.9346 5.6257 5.6314 5.7359 5.7462 7.6997 7.7217 7.9250 7.9402 10.4992 10.5198 10.6474 10.6662 12.1022 12.1239 14.9872 14.9945 k = 0.1369 0.0790 0.2236 ( 1851 PWs) bands (ev): -70.5150 -70.5150 -40.1417 -40.1416 -38.8803 -38.8801 -38.8784 -38.8784 -2.5784 -2.5761 4.9646 4.9737 5.6283 5.6338 5.7244 5.7344 7.7071 7.7283 7.9169 7.9326 10.6029 10.6226 10.7493 10.7664 12.1436 12.1648 14.9028 14.9112 k = 0.1310 0.0756 0.2138 ( 1851 PWs) bands (ev): -70.5150 -70.5150 -40.1416 -40.1415 -38.8801 -38.8799 -38.8783 -38.8783 -2.6181 -2.6160 5.0039 5.0131 5.6298 5.6349 5.7131 5.7227 7.7150 7.7354 7.9096 7.9254 10.7027 10.7204 10.8577 10.8722 12.1828 12.2034 14.8182 14.8275 k = 0.1250 0.0722 0.2041 ( 1855 PWs) bands (ev): -70.5151 -70.5151 -40.1415 -40.1414 -38.8799 -38.8797 -38.8783 -38.8782 -2.6565 -2.6548 5.0434 5.0525 5.6301 5.6350 5.7019 5.7112 7.7232 7.7428 7.9030 7.9188 10.7995 10.8149 10.9703 10.9823 12.2198 12.2397 14.7337 14.7439 k = 0.1190 0.0687 0.1944 ( 1847 PWs) bands (ev): -70.5150 -70.5150 -40.1414 -40.1413 -38.8797 -38.8796 -38.8782 -38.8782 -2.6937 -2.6922 5.0828 5.0918 5.6294 5.6342 5.6911 5.6999 7.7320 7.7508 7.8970 7.9128 10.8945 10.9081 11.0852 11.0950 12.2545 12.2738 14.6497 14.6606 k = 0.1131 0.0653 0.1847 ( 1843 PWs) bands (ev): -70.5150 -70.5150 -40.1413 -40.1412 -38.8795 -38.8794 -38.8781 -38.8781 -2.7295 -2.7282 5.1219 5.1308 5.6279 5.6324 5.6805 5.6890 7.7410 7.7588 7.8917 7.9073 10.9886 11.0008 11.2005 11.2087 12.2870 12.3056 14.5665 14.5780 k = 0.1071 0.0619 0.1750 ( 1851 PWs) bands (ev): -70.5151 -70.5151 -40.1412 -40.1411 -38.8793 -38.8792 -38.8781 -38.8781 -2.7639 -2.7628 5.1605 5.1692 5.6255 5.6299 5.6702 5.6784 7.7500 7.7669 7.8870 7.9022 11.0825 11.0937 11.3152 11.3224 12.3172 12.3352 14.4842 14.4961 k = 0.1012 0.0584 0.1652 ( 1847 PWs) bands (ev): -70.5151 -70.5151 -40.1411 -40.1410 -38.8792 -38.8791 -38.8780 -38.8780 -2.7968 -2.7959 5.1984 5.2068 5.6226 5.6268 5.6602 5.6681 7.7592 7.7753 7.8828 7.8976 11.1767 11.1873 11.4283 11.4349 12.3453 12.3626 14.4031 14.4152 k = 0.0952 0.0550 0.1555 ( 1851 PWs) bands (ev): -70.5151 -70.5151 -40.1410 -40.1409 -38.8790 -38.8789 -38.8780 -38.8780 -2.8281 -2.8274 5.2354 5.2436 5.6191 5.6232 5.6507 5.6582 7.7685 7.7837 7.8791 7.8935 11.2714 11.2816 11.5391 11.5454 12.3713 12.3878 14.3232 14.3354 k = 0.0893 0.0515 0.1458 ( 1851 PWs) bands (ev): -70.5151 -70.5151 -40.1409 -40.1408 -38.8788 -38.8788 -38.8779 -38.8779 -2.8578 -2.8572 5.2714 5.2792 5.6152 5.6192 5.6415 5.6488 7.7777 7.7920 7.8760 7.8897 11.3666 11.3767 11.6469 11.6532 12.3952 12.4109 14.2445 14.2566 k = 0.0833 0.0481 0.1361 ( 1851 PWs) bands (ev): -70.5151 -70.5151 -40.1408 -40.1407 -38.8787 -38.8786 -38.8779 -38.8779 -2.8859 -2.8854 5.3061 5.3135 5.6109 5.6149 5.6328 5.6398 7.7868 7.8002 7.8733 7.8864 11.4624 11.4724 11.7512 11.7576 12.4171 12.4319 14.1670 14.1789 k = 0.0774 0.0447 0.1264 ( 1855 PWs) bands (ev): -70.5152 -70.5152 -40.1407 -40.1407 -38.8785 -38.8785 -38.8778 -38.8778 -2.9122 -2.9118 5.3393 5.3463 5.6065 5.6104 5.6245 5.6313 7.7957 7.8082 7.8710 7.8834 11.5587 11.5687 11.8513 11.8578 12.4370 12.4510 14.0908 14.1022 k = 0.0714 0.0412 0.1166 ( 1851 PWs) bands (ev): -70.5152 -70.5152 -40.1406 -40.1406 -38.8784 -38.8784 -38.8778 -38.8778 -2.9368 -2.9364 5.3709 5.3775 5.6020 5.6059 5.6167 5.6233 7.8044 7.8159 7.8692 7.8808 11.6552 11.6652 11.9467 11.9535 12.4551 12.4681 14.0157 14.0266 k = 0.0655 0.0378 0.1069 ( 1849 PWs) bands (ev): -70.5152 -70.5152 -40.1406 -40.1405 -38.8783 -38.8782 -38.8777 -38.8777 -2.9595 -2.9592 5.4007 5.4069 5.5975 5.6014 5.6095 5.6158 7.8127 7.8234 7.8677 7.8785 11.7518 11.7618 12.0368 12.0438 12.4714 12.4835 13.9418 13.9519 k = 0.0595 0.0344 0.0972 ( 1849 PWs) bands (ev): -70.5152 -70.5152 -40.1405 -40.1405 -38.8781 -38.8781 -38.8777 -38.8777 -2.9804 -2.9802 5.4285 5.4342 5.5930 5.5969 5.6029 5.6090 7.8206 7.8303 7.8664 7.8764 11.8480 11.8581 12.1211 12.1283 12.4860 12.4971 13.8690 13.8781 k = 0.0536 0.0309 0.0875 ( 1845 PWs) bands (ev): -70.5152 -70.5152 -40.1404 -40.1404 -38.8780 -38.8780 -38.8777 -38.8777 -2.9994 -2.9992 5.4542 5.4594 5.5887 5.5926 5.5969 5.6027 7.8281 7.8369 7.8655 7.8746 11.9435 11.9535 12.1990 12.2063 12.4989 12.5091 13.7972 13.8053 k = 0.0476 0.0275 0.0778 ( 1843 PWs) bands (ev): -70.5152 -70.5152 -40.1404 -40.1404 -38.8779 -38.8779 -38.8776 -38.8776 -3.0165 -3.0164 5.4776 5.4823 5.5847 5.5884 5.5917 5.5971 7.8350 7.8428 7.8648 7.8729 12.0376 12.0474 12.2702 12.2774 12.5103 12.5195 13.7266 13.7335 k = 0.0417 0.0241 0.0680 ( 1839 PWs) bands (ev): -70.5152 -70.5152 -40.1403 -40.1403 -38.8778 -38.8778 -38.8776 -38.8776 -3.0316 -3.0315 5.4987 5.5028 5.5810 5.5844 5.5872 5.5920 7.8414 7.8482 7.8643 7.8715 12.1296 12.1391 12.3341 12.3412 12.5202 12.5284 13.6573 13.6630 k = 0.0357 0.0206 0.0583 ( 1835 PWs) bands (ev): -70.5151 -70.5151 -40.1403 -40.1403 -38.8778 -38.8778 -38.8776 -38.8776 -3.0448 -3.0447 5.5172 5.5208 5.5778 5.5806 5.5835 5.5876 7.8471 7.8529 7.8640 7.8702 12.2184 12.2275 12.3904 12.3971 12.5287 12.5360 13.5898 13.5942 k = 0.0298 0.0172 0.0486 ( 1833 PWs) bands (ev): -70.5151 -70.5151 -40.1402 -40.1402 -38.8777 -38.8777 -38.8776 -38.8776 -3.0560 -3.0559 5.5330 5.5360 5.5750 5.5773 5.5805 5.5838 7.8520 7.8569 7.8638 7.8690 12.3027 12.3111 12.4387 12.4449 12.5359 12.5422 13.5251 13.5282 k = 0.0238 0.0137 0.0389 ( 1835 PWs) bands (ev): -70.5152 -70.5152 -40.1402 -40.1402 -38.8776 -38.8776 -38.8776 -38.8776 -3.0651 -3.0651 5.5459 5.5483 5.5729 5.5746 5.5781 5.5807 7.8561 7.8600 7.8638 7.8680 12.3802 12.3878 12.4788 12.4843 12.5419 12.5471 13.4644 13.4664 k = 0.0179 0.0103 0.0292 ( 1837 PWs) bands (ev): -70.5152 -70.5152 -40.1402 -40.1402 -38.8776 -38.8776 -38.8776 -38.8776 -3.0723 -3.0723 5.5558 5.5574 5.5717 5.5728 5.5762 5.5782 7.8595 7.8624 7.8640 7.8671 12.4482 12.4545 12.5102 12.5149 12.5467 12.5510 13.4103 13.4113 k = 0.0119 0.0069 0.0194 ( 1837 PWs) bands (ev): -70.5152 -70.5152 -40.1402 -40.1402 -38.8776 -38.8776 -38.8775 -38.8775 -3.0774 -3.0774 5.5620 5.5627 5.5721 5.5724 5.5750 5.5763 7.8621 7.8640 7.8642 7.8663 12.5025 12.5070 12.5330 12.5367 12.5506 12.5540 13.3663 13.3667 k = 0.0060 0.0034 0.0097 ( 1837 PWs) bands (ev): -70.5152 -70.5152 -40.1402 -40.1402 -38.8775 -38.8775 -38.8775 -38.8775 -3.0805 -3.0805 5.5644 5.5645 5.5735 5.5737 5.5744 5.5750 7.8638 7.8646 7.8648 7.8656 12.5366 12.5381 12.5491 12.5503 12.5546 12.5565 13.3369 13.3369 k = 0.0000 0.0000 0.0000 ( 1837 PWs) bands (ev): -70.5152 -70.5152 -40.1402 -40.1402 -38.8775 -38.8775 -38.8775 -38.8775 -3.0815 -3.0815 5.5648 5.5648 5.5744 5.5744 5.5744 5.5744 7.8649 7.8649 7.8649 7.8649 12.5451 12.5451 12.5575 12.5575 12.5575 12.5575 13.3264 13.3264 k = 0.0000 0.0000 0.0000 ( 1837 PWs) bands (ev): -70.5152 -70.5152 -40.1402 -40.1402 -38.8775 -38.8775 -38.8775 -38.8775 -3.0815 -3.0815 5.5648 5.5648 5.5744 5.5744 5.5744 5.5744 7.8649 7.8649 7.8649 7.8649 12.5451 12.5451 12.5575 12.5575 12.5575 12.5575 13.3264 13.3264 k = 0.0096 0.0056 0.0039 ( 1837 PWs) bands (ev): -70.5152 -70.5152 -40.1402 -40.1402 -38.8775 -38.8775 -38.8775 -38.8775 -3.0805 -3.0805 5.5644 5.5644 5.5736 5.5736 5.5744 5.5750 7.8639 7.8647 7.8647 7.8656 12.5368 12.5368 12.5505 12.5505 12.5547 12.5566 13.3367 13.3367 k = 0.0192 0.0111 0.0079 ( 1837 PWs) bands (ev): -70.5152 -70.5152 -40.1402 -40.1402 -38.8776 -38.8776 -38.8775 -38.8775 -3.0775 -3.0775 5.5623 5.5623 5.5723 5.5723 5.5750 5.5763 7.8626 7.8641 7.8641 7.8659 12.5008 12.5008 12.5426 12.5426 12.5483 12.5520 13.3654 13.3655 k = 0.0288 0.0167 0.0118 ( 1837 PWs) bands (ev): -70.5152 -70.5152 -40.1402 -40.1402 -38.8776 -38.8776 -38.8776 -38.8776 -3.0725 -3.0725 5.5566 5.5566 5.5724 5.5724 5.5762 5.5782 7.8610 7.8631 7.8631 7.8659 12.4425 12.4425 12.5330 12.5330 12.5384 12.5438 13.4082 13.4082 k = 0.0385 0.0222 0.0157 ( 1834 PWs) bands (ev): -70.5152 -70.5152 -40.1402 -40.1402 -38.8776 -38.8776 -38.8776 -38.8776 -3.0655 -3.0655 5.5472 5.5472 5.5740 5.5740 5.5780 5.5807 7.8591 7.8618 7.8618 7.8656 12.3684 12.3684 12.5202 12.5202 12.5249 12.5322 13.4603 13.4603 k = 0.0481 0.0278 0.0196 ( 1835 PWs) bands (ev): -70.5151 -70.5151 -40.1402 -40.1402 -38.8777 -38.8777 -38.8776 -38.8776 -3.0565 -3.0565 5.5345 5.5345 5.5765 5.5765 5.5805 5.5838 7.8569 7.8601 7.8601 7.8651 12.2826 12.2826 12.5041 12.5041 12.5081 12.5171 13.5178 13.5178 k = 0.0577 0.0333 0.0236 ( 1835 PWs) bands (ev): -70.5151 -70.5151 -40.1403 -40.1403 -38.8778 -38.8778 -38.8776 -38.8776 -3.0456 -3.0456 5.5189 5.5189 5.5798 5.5798 5.5835 5.5875 7.8545 7.8581 7.8581 7.8642 12.1880 12.1880 12.4848 12.4848 12.4881 12.4987 13.5782 13.5782 k = 0.0673 0.0389 0.0275 ( 1841 PWs) bands (ev): -70.5152 -70.5152 -40.1403 -40.1403 -38.8778 -38.8778 -38.8776 -38.8776 -3.0327 -3.0327 5.5006 5.5006 5.5837 5.5837 5.5871 5.5917 7.8518 7.8558 7.8558 7.8631 12.0867 12.0867 12.4623 12.4623 12.4650 12.4772 13.6396 13.6396 k = 0.0769 0.0444 0.0314 ( 1841 PWs) bands (ev): -70.5152 -70.5152 -40.1404 -40.1404 -38.8779 -38.8779 -38.8776 -38.8776 -3.0178 -3.0178 5.4796 5.4796 5.5883 5.5883 5.5912 5.5964 7.8490 7.8532 7.8532 7.8619 11.9799 11.9799 12.4371 12.4371 12.4391 12.4529 13.7008 13.7008 k = 0.0865 0.0500 0.0353 ( 1841 PWs) bands (ev): -70.5151 -70.5151 -40.1404 -40.1404 -38.8780 -38.8780 -38.8777 -38.8777 -3.0011 -3.0011 5.4560 5.4560 5.5934 5.5934 5.5959 5.6017 7.8461 7.8505 7.8505 7.8605 11.8688 11.8688 12.4091 12.4091 12.4105 12.4258 13.7610 13.7610 k = 0.0962 0.0555 0.0393 ( 1841 PWs) bands (ev): -70.5151 -70.5151 -40.1405 -40.1405 -38.8781 -38.8781 -38.8777 -38.8777 -2.9825 -2.9825 5.4299 5.4299 5.5990 5.5990 5.6010 5.6075 7.8431 7.8476 7.8476 7.8590 11.7542 11.7542 12.3786 12.3786 12.3794 12.3961 13.8196 13.8196 k = 0.1058 0.0611 0.0432 ( 1847 PWs) bands (ev): -70.5151 -70.5151 -40.1405 -40.1405 -38.8783 -38.8783 -38.8777 -38.8777 -2.9621 -2.9621 5.4014 5.4014 5.6051 5.6051 5.6066 5.6137 7.8400 7.8446 7.8446 7.8574 11.6366 11.6366 12.3458 12.3458 12.3461 12.3641 13.8761 13.8761 k = 0.1154 0.0666 0.0471 ( 1847 PWs) bands (ev): -70.5151 -70.5151 -40.1406 -40.1406 -38.8784 -38.8784 -38.8777 -38.8777 -2.9398 -2.9398 5.3707 5.3707 5.6116 5.6116 5.6126 5.6203 7.8370 7.8415 7.8415 7.8558 11.5167 11.5167 12.3107 12.3110 12.3110 12.3300 13.9300 13.9300 k = 0.1250 0.0722 0.0510 ( 1847 PWs) bands (ev): -70.5151 -70.5151 -40.1407 -40.1407 -38.8785 -38.8785 -38.8778 -38.8778 -2.9158 -2.9158 5.3377 5.3377 5.6186 5.6186 5.6191 5.6273 7.8342 7.8386 7.8386 7.8544 11.3950 11.3950 12.2734 12.2742 12.2742 12.2939 13.9811 13.9811 k = 0.1346 0.0777 0.0550 ( 1856 PWs) bands (ev): -70.5151 -70.5151 -40.1408 -40.1408 -38.8787 -38.8787 -38.8778 -38.8778 -2.8901 -2.8901 5.3026 5.3026 5.6258 5.6258 5.6258 5.6346 7.8314 7.8356 7.8356 7.8529 11.2718 11.2718 12.2344 12.2357 12.2357 12.2559 14.0290 14.0290 k = 0.1442 0.0833 0.0589 ( 1862 PWs) bands (ev): -70.5152 -70.5152 -40.1408 -40.1408 -38.8788 -38.8788 -38.8778 -38.8778 -2.8627 -2.8627 5.2656 5.2656 5.6329 5.6335 5.6335 5.6422 7.8288 7.8327 7.8327 7.8517 11.1477 11.1477 12.1939 12.1956 12.1956 12.2164 14.0735 14.0735 k = 0.1538 0.0888 0.0628 ( 1850 PWs) bands (ev): -70.5151 -70.5151 -40.1409 -40.1409 -38.8790 -38.8790 -38.8779 -38.8779 -2.8337 -2.8337 5.2269 5.2269 5.6403 5.6415 5.6415 5.6502 7.8267 7.8302 7.8302 7.8508 11.0230 11.0230 12.1521 12.1542 12.1542 12.1755 14.1143 14.1143 k = 0.1635 0.0944 0.0667 ( 1844 PWs) bands (ev): -70.5151 -70.5151 -40.1410 -40.1410 -38.8792 -38.8792 -38.8779 -38.8779 -2.8031 -2.8031 5.1863 5.1863 5.6479 5.6496 5.6496 5.6583 7.8249 7.8280 7.8280 7.8502 10.8981 10.8981 12.1090 12.1115 12.1115 12.1333 14.1514 14.1514 k = 0.1731 0.0999 0.0707 ( 1850 PWs) bands (ev): -70.5151 -70.5151 -40.1411 -40.1411 -38.8793 -38.8793 -38.8779 -38.8779 -2.7711 -2.7711 5.1440 5.1440 5.6557 5.6580 5.6580 5.6666 7.8235 7.8261 7.8261 7.8498 10.7732 10.7732 12.0648 12.0677 12.0677 12.0900 14.1845 14.1845 k = 0.1827 0.1055 0.0746 ( 1847 PWs) bands (ev): -70.5151 -70.5151 -40.1412 -40.1412 -38.8795 -38.8795 -38.8780 -38.8780 -2.7376 -2.7376 5.1003 5.1003 5.6637 5.6665 5.6665 5.6749 7.8226 7.8246 7.8246 7.8500 10.6489 10.6489 12.0198 12.0230 12.0230 12.0456 14.2136 14.2136 k = 0.1923 0.1110 0.0785 ( 1847 PWs) bands (ev): -70.5150 -70.5150 -40.1413 -40.1413 -38.8797 -38.8797 -38.8780 -38.8780 -2.7027 -2.7027 5.0551 5.0551 5.6717 5.6751 5.6751 5.6834 7.8223 7.8235 7.8235 7.8506 10.5253 10.5253 11.9739 11.9775 11.9775 12.0004 14.2388 14.2388 k = 0.2019 0.1166 0.0824 ( 1847 PWs) bands (ev): -70.5150 -70.5150 -40.1414 -40.1414 -38.8799 -38.8799 -38.8781 -38.8781 -2.6666 -2.6666 5.0087 5.0087 5.6798 5.6837 5.6837 5.6918 7.8225 7.8230 7.8230 7.8518 10.4028 10.4028 11.9274 11.9313 11.9313 11.9544 14.2601 14.2601 k = 0.2115 0.1221 0.0864 ( 1847 PWs) bands (ev): -70.5150 -70.5150 -40.1415 -40.1415 -38.8801 -38.8801 -38.8781 -38.8781 -2.6292 -2.6292 4.9611 4.9611 5.6878 5.6924 5.6924 5.7002 7.8231 7.8231 7.8234 7.8535 10.2817 10.2817 11.8804 11.8845 11.8845 11.9078 14.2776 14.2776 k = 0.2212 0.1277 0.0903 ( 1850 PWs) bands (ev): -70.5150 -70.5150 -40.1416 -40.1416 -38.8803 -38.8803 -38.8782 -38.8782 -2.5908 -2.5908 4.9124 4.9124 5.6959 5.7010 5.7010 5.7085 7.8237 7.8237 7.8250 7.8558 10.1622 10.1622 11.8329 11.8373 11.8373 11.8608 14.2915 14.2915 k = 0.2308 0.1332 0.0942 ( 1847 PWs) bands (ev): -70.5150 -70.5150 -40.1417 -40.1417 -38.8805 -38.8805 -38.8782 -38.8782 -2.5514 -2.5514 4.8629 4.8629 5.7038 5.7095 5.7095 5.7167 7.8251 7.8251 7.8274 7.8588 10.0448 10.0448 11.7851 11.7898 11.7898 11.8133 14.3020 14.3020 k = 0.2404 0.1388 0.0981 ( 1847 PWs) bands (ev): -70.5150 -70.5150 -40.1418 -40.1418 -38.8807 -38.8807 -38.8783 -38.8783 -2.5111 -2.5111 4.8126 4.8126 5.7117 5.7179 5.7179 5.7248 7.8272 7.8272 7.8306 7.8625 9.9293 9.9293 11.7372 11.7421 11.7421 11.7656 14.3094 14.3094 k = 0.2500 0.1443 0.1021 ( 1847 PWs) bands (ev): -70.5150 -70.5150 -40.1419 -40.1419 -38.8809 -38.8809 -38.8783 -38.8783 -2.4700 -2.4700 4.7616 4.7616 5.7194 5.7261 5.7261 5.7326 7.8300 7.8300 7.8345 7.8669 9.8164 9.8164 11.6891 11.6942 11.6942 11.7177 14.3139 14.3139 k = 0.2596 0.1499 0.1060 ( 1847 PWs) bands (ev): -70.5149 -70.5149 -40.1420 -40.1420 -38.8811 -38.8811 -38.8783 -38.8783 -2.4283 -2.4283 4.7101 4.7101 5.7269 5.7340 5.7340 5.7402 7.8336 7.8336 7.8393 7.8721 9.7062 9.7062 11.6411 11.6464 11.6464 11.6698 14.3157 14.3157 k = 0.2692 0.1554 0.1099 ( 1853 PWs) bands (ev): -70.5150 -70.5150 -40.1421 -40.1421 -38.8813 -38.8813 -38.8784 -38.8784 -2.3860 -2.3860 4.6583 4.6583 5.7341 5.7417 5.7417 5.7475 7.8379 7.8379 7.8449 7.8778 9.5988 9.5988 11.5933 11.5987 11.5987 11.6219 14.3152 14.3152 k = 0.2788 0.1610 0.1138 ( 1847 PWs) bands (ev): -70.5149 -70.5149 -40.1422 -40.1422 -38.8815 -38.8815 -38.8784 -38.8784 -2.3433 -2.3433 4.6062 4.6062 5.7412 5.7492 5.7492 5.7545 7.8430 7.8430 7.8515 7.8845 9.4946 9.4946 11.5458 11.5513 11.5513 11.5743 14.3126 14.3126 k = 0.2885 0.1665 0.1178 ( 1841 PWs) bands (ev): -70.5149 -70.5149 -40.1424 -40.1424 -38.8817 -38.8817 -38.8785 -38.8785 -2.3003 -2.3003 4.5542 4.5542 5.7479 5.7564 5.7564 5.7612 7.8489 7.8489 7.8588 7.8918 9.3937 9.3937 11.4986 11.5043 11.5043 11.5270 14.3082 14.3082 k = 0.2981 0.1721 0.1217 ( 1853 PWs) bands (ev): -70.5149 -70.5149 -40.1425 -40.1425 -38.8819 -38.8819 -38.8785 -38.8785 -2.2573 -2.2573 4.5022 4.5022 5.7543 5.7631 5.7631 5.7674 7.8553 7.8553 7.8668 7.8996 9.2962 9.2962 11.4520 11.4577 11.4577 11.4801 14.3022 14.3022 k = 0.3077 0.1776 0.1256 ( 1853 PWs) bands (ev): -70.5149 -70.5149 -40.1426 -40.1426 -38.8821 -38.8821 -38.8786 -38.8786 -2.2143 -2.2143 4.4505 4.4505 5.7604 5.7695 5.7695 5.7733 7.8626 7.8626 7.8756 7.9082 9.2024 9.2024 11.4060 11.4118 11.4118 11.4338 14.2949 14.2949 k = 0.3173 0.1832 0.1295 ( 1853 PWs) bands (ev): -70.5149 -70.5149 -40.1427 -40.1427 -38.8823 -38.8823 -38.8786 -38.8786 -2.1716 -2.1716 4.3992 4.3992 5.7662 5.7756 5.7756 5.7788 7.8705 7.8705 7.8852 7.9174 9.1124 9.1124 11.3609 11.3667 11.3667 11.3882 14.2866 14.2866 k = 0.3269 0.1887 0.1335 ( 1853 PWs) bands (ev): -70.5149 -70.5149 -40.1428 -40.1428 -38.8824 -38.8824 -38.8786 -38.8786 -2.1293 -2.1293 4.3487 4.3487 5.7716 5.7813 5.7813 5.7840 7.8789 7.8789 7.8954 7.9270 9.0264 9.0264 11.3167 11.3225 11.3225 11.3435 14.2774 14.2774 k = 0.3365 0.1943 0.1374 ( 1853 PWs) bands (ev): -70.5149 -70.5149 -40.1428 -40.1428 -38.8826 -38.8826 -38.8787 -38.8787 -2.0875 -2.0875 4.2990 4.2990 5.7767 5.7866 5.7866 5.7887 7.8879 7.8879 7.9061 7.9371 8.9444 8.9444 11.2737 11.2794 11.2794 11.2998 14.2676 14.2676 k = 0.3462 0.1999 0.1413 ( 1853 PWs) bands (ev): -70.5149 -70.5149 -40.1429 -40.1429 -38.8828 -38.8828 -38.8787 -38.8787 -2.0466 -2.0466 4.2503 4.2503 5.7815 5.7916 5.7916 5.7931 7.8972 7.8972 7.9174 7.9475 8.8667 8.8667 11.2318 11.2375 11.2375 11.2572 14.2574 14.2574 k = 0.3558 0.2054 0.1452 ( 1853 PWs) bands (ev): -70.5148 -70.5148 -40.1430 -40.1430 -38.8830 -38.8830 -38.8788 -38.8788 -2.0066 -2.0066 4.2030 4.2030 5.7859 5.7961 5.7961 5.7970 7.9069 7.9069 7.9290 7.9582 8.7933 8.7933 11.1914 11.1970 11.1970 11.2160 14.2469 14.2469 k = 0.3654 0.2110 0.1492 ( 1844 PWs) bands (ev): -70.5148 -70.5148 -40.1431 -40.1431 -38.8831 -38.8831 -38.8788 -38.8788 -1.9678 -1.9678 4.1572 4.1572 5.7900 5.8003 5.8003 5.8006 7.9168 7.9168 7.9409 7.9690 8.7245 8.7245 11.1526 11.1580 11.1580 11.1762 14.2365 14.2365 k = 0.3750 0.2165 0.1531 ( 1844 PWs) bands (ev): -70.5148 -70.5148 -40.1432 -40.1432 -38.8833 -38.8833 -38.8788 -38.8788 -1.9305 -1.9305 4.1131 4.1131 5.7937 5.8038 5.8041 5.8041 7.9267 7.9267 7.9530 7.9798 8.6600 8.6600 11.1155 11.1207 11.1207 11.1380 14.2260 14.2260 k = 0.3846 0.2221 0.1570 ( 1844 PWs) bands (ev): -70.5148 -70.5148 -40.1433 -40.1433 -38.8834 -38.8834 -38.8789 -38.8789 -1.8947 -1.8947 4.0710 4.0710 5.7972 5.8066 5.8076 5.8076 7.9365 7.9365 7.9650 7.9904 8.6002 8.6002 11.0804 11.0853 11.0853 11.1017 14.2158 14.2158 k = 0.3942 0.2276 0.1609 ( 1850 PWs) bands (ev): -70.5148 -70.5148 -40.1433 -40.1433 -38.8835 -38.8835 -38.8789 -38.8789 -1.8608 -1.8608 4.0312 4.0312 5.8003 5.8091 5.8106 5.8106 7.9461 7.9461 7.9768 8.0008 8.5450 8.5450 11.0473 11.0519 11.0519 11.0673 14.2059 14.2059 k = 0.4038 0.2332 0.1649 ( 1844 PWs) bands (ev): -70.5148 -70.5148 -40.1434 -40.1434 -38.8837 -38.8837 -38.8789 -38.8789 -1.8290 -1.8290 3.9937 3.9937 5.8032 5.8113 5.8134 5.8134 7.9555 7.9555 7.9885 8.0108 8.4946 8.4946 11.0165 11.0207 11.0207 11.0351 14.1965 14.1965 k = 0.4135 0.2387 0.1688 ( 1838 PWs) bands (ev): -70.5147 -70.5147 -40.1435 -40.1435 -38.8838 -38.8838 -38.8789 -38.8789 -1.7994 -1.7994 3.9591 3.9591 5.8057 5.8131 5.8159 5.8159 7.9644 7.9644 7.9998 8.0203 8.4491 8.4491 10.9881 10.9919 10.9919 11.0053 14.1877 14.1877 k = 0.4231 0.2443 0.1727 ( 1838 PWs) bands (ev): -70.5147 -70.5147 -40.1435 -40.1435 -38.8839 -38.8839 -38.8790 -38.8790 -1.7723 -1.7723 3.9273 3.9273 5.8080 5.8147 5.8180 5.8180 7.9727 7.9727 8.0105 8.0291 8.4083 8.4083 10.9623 10.9656 10.9656 10.9779 14.1796 14.1796 k = 0.4327 0.2498 0.1766 ( 1838 PWs) bands (ev): -70.5147 -70.5147 -40.1436 -40.1436 -38.8839 -38.8839 -38.8790 -38.8790 -1.7478 -1.7478 3.8986 3.8986 5.8100 5.8159 5.8198 5.8198 7.9802 7.9802 8.0205 8.0371 8.3724 8.3724 10.9393 10.9419 10.9419 10.9531 14.1722 14.1722 k = 0.4423 0.2554 0.1806 ( 1841 PWs) bands (ev): -70.5147 -70.5147 -40.1436 -40.1436 -38.8840 -38.8840 -38.8790 -38.8790 -1.7263 -1.7263 3.8734 3.8734 5.8118 5.8169 5.8214 5.8214 7.9868 7.9868 8.0297 8.0441 8.3413 8.3413 10.9191 10.9211 10.9211 10.9312 14.1656 14.1656 k = 0.4519 0.2609 0.1845 ( 1841 PWs) bands (ev): -70.5147 -70.5147 -40.1436 -40.1436 -38.8841 -38.8841 -38.8790 -38.8790 -1.7077 -1.7077 3.8516 3.8516 5.8134 5.8177 5.8227 5.8227 7.9925 7.9925 8.0379 8.0500 8.3152 8.3152 10.9020 10.9033 10.9033 10.9122 14.1600 14.1600 k = 0.4615 0.2665 0.1884 ( 1835 PWs) bands (ev): -70.5147 -70.5147 -40.1437 -40.1437 -38.8841 -38.8841 -38.8790 -38.8790 -1.6922 -1.6922 3.8336 3.8336 5.8147 5.8182 5.8237 5.8237 7.9973 7.9973 8.0452 8.0550 8.2940 8.2940 10.8880 10.8885 10.8885 10.8962 14.1554 14.1554 k = 0.4712 0.2720 0.1923 ( 1835 PWs) bands (ev): -70.5147 -70.5147 -40.1437 -40.1437 -38.8842 -38.8842 -38.8790 -38.8790 -1.6801 -1.6801 3.8194 3.8194 5.8159 5.8185 5.8245 5.8245 8.0009 8.0009 8.0511 8.0585 8.2776 8.2776 10.8769 10.8769 10.8772 10.8834 14.1517 14.1517 k = 0.4808 0.2776 0.1963 ( 1841 PWs) bands (ev): -70.5147 -70.5147 -40.1437 -40.1437 -38.8842 -38.8842 -38.8791 -38.8791 -1.6714 -1.6714 3.8092 3.8092 5.8168 5.8185 5.8250 5.8250 8.0034 8.0034 8.0557 8.0607 8.2659 8.2659 10.8685 10.8685 10.8697 10.8739 14.1490 14.1490 k = 0.4904 0.2831 0.2002 ( 1850 PWs) bands (ev): -70.5147 -70.5147 -40.1437 -40.1437 -38.8842 -38.8842 -38.8791 -38.8791 -1.6661 -1.6661 3.8031 3.8031 5.8175 5.8183 5.8253 5.8253 8.0048 8.0048 8.0589 8.0614 8.2589 8.2589 10.8635 10.8635 10.8657 10.8678 14.1474 14.1474 k = 0.5000 0.2887 0.2041 ( 1850 PWs) bands (ev): -70.5147 -70.5147 -40.1437 -40.1437 -38.8842 -38.8842 -38.8791 -38.8791 -1.6643 -1.6643 3.8010 3.8010 5.8180 5.8180 5.8254 5.8254 8.0053 8.0053 8.0609 8.0609 8.2566 8.2566 10.8618 10.8618 10.8650 10.8650 14.1469 14.1469 k = 0.5000 0.2887 0.2041 ( 1850 PWs) bands (ev): -70.5147 -70.5147 -40.1437 -40.1437 -38.8842 -38.8842 -38.8791 -38.8791 -1.6643 -1.6643 3.8010 3.8010 5.8180 5.8180 5.8254 5.8254 8.0053 8.0053 8.0609 8.0609 8.2566 8.2566 10.8618 10.8618 10.8650 10.8650 14.1469 14.1469 k = 0.5034 0.2789 0.2096 ( 1850 PWs) bands (ev): -70.5147 -70.5147 -40.1437 -40.1437 -38.8843 -38.8842 -38.8791 -38.8791 -1.6641 -1.6633 3.8018 3.8022 5.8174 5.8176 5.8251 5.8252 8.0017 8.0081 8.0605 8.0605 8.2532 8.2598 10.8566 10.8587 10.8623 10.8632 14.1518 14.1522 k = 0.5068 0.2692 0.2152 ( 1841 PWs) bands (ev): -70.5147 -70.5147 -40.1438 -40.1437 -38.8843 -38.8842 -38.8791 -38.8791 -1.6628 -1.6611 3.8047 3.8055 5.8146 5.8155 5.8250 5.8254 7.9970 8.0099 8.0594 8.0597 8.2499 8.2630 10.8414 10.8463 10.8563 10.8589 14.1668 14.1676 k = 0.5101 0.2594 0.2207 ( 1834 PWs) bands (ev): -70.5147 -70.5147 -40.1438 -40.1437 -38.8843 -38.8842 -38.8791 -38.8791 -1.6602 -1.6578 3.8096 3.8108 5.8087 5.8105 5.8261 5.8272 7.9913 8.0109 8.0573 8.0582 8.2467 8.2660 10.8169 10.8242 10.8478 10.8516 14.1913 14.1926 k = 0.5135 0.2497 0.2262 ( 1832 PWs) bands (ev): -70.5147 -70.5147 -40.1438 -40.1437 -38.8843 -38.8841 -38.8791 -38.8791 -1.6565 -1.6532 3.8165 3.8181 5.7999 5.8026 5.8285 5.8302 7.9844 8.0110 8.0540 8.0563 8.2437 8.2689 10.7839 10.7935 10.8362 10.8413 14.2247 14.2262 k = 0.5169 0.2399 0.2317 ( 1834 PWs) bands (ev): -70.5147 -70.5147 -40.1439 -40.1436 -38.8844 -38.8841 -38.8792 -38.8792 -1.6516 -1.6475 3.8255 3.8275 5.7885 5.7920 5.8318 5.8341 7.9762 8.0102 8.0494 8.0539 8.2411 8.2718 10.7429 10.7548 10.8217 10.8280 14.2657 14.2674 k = 0.5203 0.2302 0.2372 ( 1835 PWs) bands (ev): -70.5147 -70.5147 -40.1439 -40.1436 -38.8844 -38.8841 -38.8792 -38.8792 -1.6456 -1.6407 3.8364 3.8388 5.7746 5.7789 5.8362 5.8390 7.9668 8.0085 8.0434 8.0511 8.2392 8.2746 10.6950 10.7090 10.8043 10.8118 14.3129 14.3147 k = 0.5236 0.2204 0.2427 ( 1837 PWs) bands (ev): -70.5147 -70.5147 -40.1439 -40.1436 -38.8844 -38.8841 -38.8793 -38.8792 -1.6384 -1.6328 3.8493 3.8521 5.7584 5.7635 5.8414 5.8447 7.9559 8.0057 8.0359 8.0480 8.2381 8.2774 10.6409 10.6571 10.7842 10.7929 14.3648 14.3665 k = 0.5270 0.2107 0.2483 ( 1837 PWs) bands (ev): -70.5147 -70.5147 -40.1440 -40.1436 -38.8844 -38.8840 -38.8793 -38.8793 -1.6302 -1.6237 3.8642 3.8674 5.7400 5.7458 5.8474 5.8512 7.9436 8.0017 8.0273 8.0445 8.2379 8.2804 10.5816 10.5999 10.7615 10.7713 14.4194 14.4209 k = 0.5304 0.2009 0.2538 ( 1835 PWs) bands (ev): -70.5147 -70.5147 -40.1440 -40.1437 -38.8844 -38.8840 -38.8794 -38.8794 -1.6209 -1.6137 3.8810 3.8845 5.7193 5.7258 5.8542 5.8585 7.9298 7.9954 8.0183 8.0409 8.2387 8.2836 10.5179 10.5382 10.7363 10.7473 14.4746 14.4757 k = 0.5338 0.1911 0.2593 ( 1833 PWs) bands (ev): -70.5147 -70.5147 -40.1441 -40.1437 -38.8844 -38.8840 -38.8795 -38.8794 -1.6106 -1.6026 3.8996 3.9035 5.6966 5.7038 5.8618 5.8666 7.9144 7.9856 8.0103 8.0370 8.2406 8.2871 10.4507 10.4729 10.7088 10.7209 14.5281 14.5288 k = 0.5372 0.1814 0.2648 ( 1833 PWs) bands (ev): -70.5147 -70.5147 -40.1441 -40.1437 -38.8845 -38.8839 -38.8795 -38.8795 -1.5993 -1.5906 3.9200 3.9243 5.6718 5.6797 5.8701 5.8754 7.8974 7.9717 8.0039 8.0329 8.2437 8.2909 10.3807 10.4049 10.6791 10.6924 14.5776 14.5777 k = 0.5405 0.1716 0.2703 ( 1832 PWs) bands (ev): -70.5147 -70.5147 -40.1442 -40.1437 -38.8845 -38.8839 -38.8796 -38.8796 -1.5872 -1.5777 3.9422 3.9469 5.6452 5.6539 5.8791 5.8848 7.8788 7.9544 7.9984 8.0286 8.2477 8.2951 10.3087 10.3348 10.6474 10.6618 14.6201 14.6207 k = 0.5439 0.1619 0.2758 ( 1830 PWs) bands (ev): -70.5146 -70.5146 -40.1442 -40.1437 -38.8845 -38.8839 -38.8797 -38.8797 -1.5741 -1.5639 3.9661 3.9712 5.6169 5.6262 5.8887 5.8949 7.8587 7.9345 7.9933 8.0243 8.2528 8.2997 10.2353 10.2632 10.6140 10.6294 14.6540 14.6554 k = 0.5473 0.1521 0.2814 ( 1828 PWs) bands (ev): -70.5146 -70.5146 -40.1443 -40.1437 -38.8845 -38.8838 -38.8798 -38.8798 -1.5602 -1.5493 3.9916 3.9970 5.5870 5.5970 5.8989 5.9056 7.8369 7.9124 7.9884 8.0200 8.2588 8.3047 10.1611 10.1909 10.5788 10.5953 14.6782 14.6804 k = 0.5507 0.1424 0.2869 ( 1826 PWs) bands (ev): -70.5146 -70.5146 -40.1443 -40.1438 -38.8845 -38.8838 -38.8799 -38.8799 -1.5456 -1.5340 4.0186 4.0243 5.5556 5.5663 5.9097 5.9169 7.8136 7.8882 7.9836 8.0156 8.2657 8.3101 10.0866 10.1183 10.5423 10.5597 14.6921 14.6949 k = 0.5541 0.1326 0.2924 ( 1826 PWs) bands (ev): -70.5146 -70.5146 -40.1444 -40.1438 -38.8845 -38.8838 -38.8800 -38.8799 -1.5302 -1.5180 4.0470 4.0530 5.5231 5.5344 5.9210 5.9287 7.7888 7.8623 7.9788 8.0114 8.2733 8.3159 10.0123 10.0459 10.5043 10.5227 14.6959 14.6994 k = 0.5574 0.1229 0.2979 ( 1824 PWs) bands (ev): -70.5146 -70.5146 -40.1444 -40.1438 -38.8846 -38.8837 -38.8801 -38.8800 -1.5143 -1.5014 4.0766 4.0828 5.4895 5.5015 5.9328 5.9409 7.7626 7.8349 7.9742 8.0072 8.2816 8.3221 9.9387 9.9742 10.4653 10.4846 14.6908 14.6948 k = 0.5608 0.1131 0.3034 ( 1822 PWs) bands (ev): -70.5146 -70.5146 -40.1445 -40.1438 -38.8846 -38.8837 -38.8803 -38.8801 -1.4978 -1.4843 4.1072 4.1137 5.4552 5.4679 5.9449 5.9536 7.7352 7.8062 7.9696 8.0032 8.2905 8.3286 9.8661 9.9036 10.4252 10.4454 14.6781 14.6825 k = 0.5642 0.1034 0.3089 ( 1824 PWs) bands (ev): -70.5146 -70.5146 -40.1445 -40.1439 -38.8846 -38.8837 -38.8804 -38.8802 -1.4809 -1.4668 4.1386 4.1453 5.4204 5.4339 5.9575 5.9666 7.7067 7.7762 7.9653 7.9994 8.2999 8.3353 9.7948 9.8343 10.3843 10.4054 14.6594 14.6641 k = 0.5676 0.0936 0.3145 ( 1828 PWs) bands (ev): -70.5146 -70.5146 -40.1446 -40.1439 -38.8846 -38.8836 -38.8805 -38.8803 -1.4636 -1.4490 4.1706 4.1775 5.3856 5.3998 5.9703 5.9798 7.6773 7.7453 7.9610 7.9958 8.3097 8.3423 9.7252 9.7668 10.3427 10.3646 14.6360 14.6409 k = 0.5709 0.0839 0.3200 ( 1832 PWs) bands (ev): -70.5146 -70.5146 -40.1446 -40.1439 -38.8846 -38.8836 -38.8806 -38.8804 -1.4460 -1.4309 4.2028 4.2098 5.3511 5.3660 5.9833 5.9933 7.6471 7.7136 7.9572 7.9927 8.3198 8.3493 9.6575 9.7014 10.3005 10.3233 14.6094 14.6144 k = 0.5743 0.0741 0.3255 ( 1832 PWs) bands (ev): -70.5146 -70.5146 -40.1447 -40.1440 -38.8846 -38.8836 -38.8807 -38.8805 -1.4283 -1.4126 4.2348 4.2419 5.3174 5.3331 5.9964 6.0069 7.6164 7.6815 7.9538 7.9899 8.3300 8.3564 9.5921 9.6384 10.2579 10.2815 14.5805 14.5856 k = 0.5777 0.0644 0.3310 ( 1830 PWs) bands (ev): -70.5146 -70.5146 -40.1447 -40.1440 -38.8847 -38.8835 -38.8808 -38.8806 -1.4105 -1.3944 4.2661 4.2731 5.2851 5.3017 6.0097 6.0205 7.5855 7.6491 7.9508 7.9876 8.3403 8.3633 9.5293 9.5780 10.2151 10.2394 14.5504 14.5554 k = 0.5811 0.0546 0.3365 ( 1826 PWs) bands (ev): -70.5146 -70.5146 -40.1448 -40.1440 -38.8847 -38.8835 -38.8809 -38.8807 -1.3927 -1.3762 4.2960 4.3029 5.2550 5.2725 6.0230 6.0342 7.5545 7.6166 7.9483 7.9859 8.3505 8.3698 9.4691 9.5204 10.1721 10.1972 14.5195 14.5245 k = 0.5845 0.0449 0.3420 ( 1826 PWs) bands (ev): -70.5146 -70.5146 -40.1448 -40.1441 -38.8847 -38.8835 -38.8811 -38.8808 -1.3751 -1.3582 4.3239 4.3306 5.2278 5.2463 6.0362 6.0478 7.5236 7.5845 7.9465 7.9848 8.3603 8.3758 9.4120 9.4661 10.1291 10.1549 14.4886 14.4935 k = 0.5878 0.0351 0.3476 ( 1829 PWs) bands (ev): -70.5146 -70.5146 -40.1449 -40.1441 -38.8847 -38.8835 -38.8812 -38.8809 -1.3578 -1.3405 4.3487 4.3551 5.2045 5.2241 6.0492 6.0611 7.4932 7.5527 7.9453 7.9842 8.3695 8.3809 9.3581 9.4151 10.0862 10.1127 14.4580 14.4627 k = 0.5912 0.0254 0.3531 ( 1829 PWs) bands (ev): -70.5146 -70.5146 -40.1449 -40.1441 -38.8847 -38.8835 -38.8813 -38.8809 -1.3409 -1.3233 4.3697 4.3757 5.1861 5.2069 6.0621 6.0743 7.4635 7.5218 7.9448 7.9844 8.3778 8.3851 9.3078 9.3679 10.0436 10.0707 14.4279 14.4326 k = 0.5946 0.0156 0.3586 ( 1832 PWs) bands (ev): -70.5146 -70.5146 -40.1450 -40.1442 -38.8847 -38.8835 -38.8814 -38.8810 -1.3245 -1.3066 4.3857 4.3913 5.1737 5.1956 6.0745 6.0870 7.4348 7.4920 7.9451 7.9854 8.3849 8.3879 9.2614 9.3247 10.0013 10.0290 14.3988 14.4032 k = 0.5980 0.0059 0.3641 ( 1834 PWs) bands (ev): -70.5146 -70.5146 -40.1450 -40.1442 -38.8848 -38.8834 -38.8814 -38.8811 -1.3087 -1.2906 4.3960 4.4011 5.1682 5.1912 6.0866 6.0993 7.4074 7.4636 7.9463 7.9872 8.3892 8.3905 9.2193 9.2859 9.9594 9.9876 14.3707 14.3750 k = 0.6014-0.0039 0.3696 ( 1830 PWs) bands (ev): -70.5146 -70.5146 -40.1450 -40.1442 -38.8848 -38.8834 -38.8815 -38.8811 -1.2938 -1.2755 4.4001 4.4048 5.1701 5.1942 6.0983 6.1112 7.3816 7.4367 7.9484 7.9899 8.3886 8.3942 9.1819 9.2517 9.9182 9.9469 14.3439 14.3479 k = 0.6047-0.0137 0.3751 ( 1829 PWs) bands (ev): -70.5146 -70.5146 -40.1451 -40.1443 -38.8848 -38.8835 -38.8816 -38.8812 -1.2798 -1.2614 4.3977 4.4021 5.1795 5.2047 6.1094 6.1224 7.3576 7.4118 7.9514 7.9934 8.3858 8.3957 9.1496 9.2225 9.8776 9.9069 14.3183 14.3221 k = 0.6081-0.0234 0.3807 ( 1829 PWs) bands (ev): -70.5145 -70.5145 -40.1451 -40.1443 -38.8848 -38.8835 -38.8816 -38.8812 -1.2668 -1.2483 4.3894 4.3935 5.1962 5.2223 6.1198 6.1330 7.3357 7.3891 7.9554 7.9979 8.3807 8.3944 9.1227 9.1984 9.8379 9.8676 14.2940 14.2976 k = 0.6115-0.0332 0.3862 ( 1830 PWs) bands (ev): -70.5145 -70.5145 -40.1451 -40.1443 -38.8848 -38.8835 -38.8817 -38.8813 -1.2551 -1.2366 4.3758 4.3796 5.2195 5.2464 6.1296 6.1427 7.3162 7.3688 7.9604 8.0032 8.3731 8.3902 9.1015 9.1795 9.7991 9.8292 14.2711 14.2745 k = 0.6149-0.0429 0.3917 ( 1830 PWs) bands (ev): -70.5145 -70.5145 -40.1451 -40.1443 -38.8849 -38.8835 -38.8817 -38.8813 -1.2447 -1.2262 4.3578 4.3615 5.2483 5.2759 6.1386 6.1517 7.2992 7.3512 7.9664 8.0096 8.3630 8.3830 9.0862 9.1660 9.7614 9.7919 14.2496 14.2528 k = 0.6182-0.0527 0.3972 ( 1828 PWs) bands (ev): -70.5145 -70.5145 -40.1452 -40.1444 -38.8849 -38.8835 -38.8817 -38.8813 -1.2357 -1.2173 4.3366 4.3401 5.2816 5.3098 6.1467 6.1598 7.2851 7.3364 7.9734 8.0169 8.3507 8.3728 9.0769 9.1578 9.7250 9.7558 14.2295 14.2324 k = 0.6216-0.0624 0.4027 ( 1832 PWs) bands (ev): -70.5145 -70.5145 -40.1452 -40.1444 -38.8849 -38.8836 -38.8817 -38.8813 -1.2284 -1.2102 4.3131 4.3165 5.3183 5.3471 6.1540 6.1669 7.2740 7.3248 7.9814 8.0251 8.3363 8.3599 9.0732 9.1546 9.6899 9.7210 14.2107 14.2133 k = 0.6250-0.0722 0.4082 ( 1838 PWs) bands (ev): -70.5146 -70.5146 -40.1452 -40.1444 -38.8849 -38.8836 -38.8817 -38.8814 -1.2229 -1.2048 4.2882 4.2914 5.3575 5.3868 6.1603 6.1731 7.2661 7.3163 7.9904 8.0341 8.3203 8.3449 9.0749 9.1562 9.6564 9.6876 14.1932 14.1956 k = 0.6250-0.0722 0.4082 ( 1838 PWs) bands (ev): -70.5146 -70.5146 -40.1452 -40.1444 -38.8849 -38.8836 -38.8817 -38.8814 -1.2229 -1.2048 4.2882 4.2914 5.3575 5.3868 6.1603 6.1731 7.2661 7.3163 7.9904 8.0341 8.3203 8.3449 9.0749 9.1562 9.6564 9.6876 14.1932 14.1956 k = 0.6190-0.0687 0.4180 ( 1836 PWs) bands (ev): -70.5146 -70.5146 -40.1452 -40.1444 -38.8849 -38.8836 -38.8817 -38.8814 -1.2226 -1.2045 4.2894 4.2927 5.3564 5.3856 6.1605 6.1736 7.2660 7.3162 7.9887 8.0331 8.3201 8.3452 9.0728 9.1540 9.6563 9.6885 14.1995 14.2029 k = 0.6131-0.0653 0.4277 ( 1834 PWs) bands (ev): -70.5146 -70.5146 -40.1452 -40.1444 -38.8849 -38.8836 -38.8817 -38.8814 -1.2220 -1.2039 4.2930 4.2963 5.3530 5.3820 6.1612 6.1751 7.2656 7.3156 7.9839 8.0301 8.3194 8.3462 9.0665 9.1477 9.6564 9.6910 14.2189 14.2242 k = 0.6071-0.0619 0.4374 ( 1834 PWs) bands (ev): -70.5146 -70.5145 -40.1452 -40.1444 -38.8849 -38.8836 -38.8817 -38.8814 -1.2210 -1.2028 4.2991 4.3023 5.3473 5.3759 6.1624 6.1776 7.2649 7.3147 7.9761 8.0249 8.3185 8.3474 9.0564 9.1375 9.6566 9.6947 14.2514 14.2588 k = 0.6012-0.0584 0.4471 ( 1830 PWs) bands (ev): -70.5145 -70.5145 -40.1452 -40.1444 -38.8849 -38.8836 -38.8818 -38.8814 -1.2196 -1.2012 4.3075 4.3107 5.3394 5.3675 6.1641 6.1809 7.2640 7.3133 7.9656 8.0175 8.3176 8.3488 9.0431 9.1239 9.6573 9.6990 14.2966 14.3061 k = 0.5952-0.0550 0.4568 ( 1832 PWs) bands (ev): -70.5145 -70.5145 -40.1452 -40.1444 -38.8849 -38.8836 -38.8818 -38.8814 -1.2178 -1.1993 4.3184 4.3214 5.3292 5.3567 6.1663 6.1848 7.2627 7.3115 7.9527 8.0078 8.3169 8.3501 9.0276 9.1076 9.6582 9.7035 14.3538 14.3652 k = 0.5893-0.0515 0.4666 ( 1829 PWs) bands (ev): -70.5145 -70.5145 -40.1452 -40.1444 -38.8849 -38.8836 -38.8818 -38.8814 -1.2156 -1.1970 4.3315 4.3344 5.3168 5.3436 6.1689 6.1893 7.2612 7.3093 7.9377 7.9958 8.3165 8.3511 9.0104 9.0894 9.6595 9.7078 14.4220 14.4353 k = 0.5833-0.0481 0.4763 ( 1833 PWs) bands (ev): -70.5145 -70.5145 -40.1452 -40.1444 -38.8849 -38.8835 -38.8818 -38.8815 -1.2132 -1.1944 4.3469 4.3497 5.3022 5.3282 6.1720 6.1941 7.2593 7.3066 7.9209 7.9817 8.3164 8.3518 8.9924 9.0698 9.6608 9.7118 14.5003 14.5151 k = 0.5774-0.0447 0.4860 ( 1829 PWs) bands (ev): -70.5145 -70.5145 -40.1452 -40.1444 -38.8849 -38.8835 -38.8819 -38.8815 -1.2105 -1.1915 4.3645 4.3672 5.2855 5.3106 6.1753 6.1992 7.2572 7.3034 7.9028 7.9659 8.3168 8.3521 8.9745 9.0498 9.6621 9.7152 14.5873 14.6035 k = 0.5714-0.0412 0.4957 ( 1831 PWs) bands (ev): -70.5145 -70.5145 -40.1452 -40.1444 -38.8848 -38.8835 -38.8819 -38.8815 -1.2075 -1.1883 4.3842 4.3867 5.2666 5.2908 6.1788 6.2045 7.2546 7.2997 7.8838 7.9487 8.3174 8.3518 8.9571 9.0298 9.6632 9.7180 14.6816 14.6989 k = 0.5655-0.0378 0.5055 ( 1833 PWs) bands (ev): -70.5145 -70.5145 -40.1452 -40.1444 -38.8848 -38.8835 -38.8820 -38.8816 -1.2044 -1.1849 4.4059 4.4082 5.2457 5.2690 6.1825 6.2098 7.2516 7.2954 7.8643 7.9307 8.3181 8.3511 8.9407 9.0105 9.6641 9.7202 14.7814 14.7996 k = 0.5595-0.0344 0.5152 ( 1834 PWs) bands (ev): -70.5145 -70.5145 -40.1453 -40.1444 -38.8848 -38.8834 -38.8820 -38.8816 -1.2011 -1.1814 4.4295 4.4315 5.2229 5.2452 6.1861 6.2149 7.2483 7.2906 7.8449 7.9123 8.3191 8.3500 8.9258 8.9922 9.6647 9.7216 14.8848 14.9038 k = 0.5536-0.0309 0.5249 ( 1834 PWs) bands (ev): -70.5145 -70.5145 -40.1453 -40.1444 -38.8848 -38.8834 -38.8820 -38.8816 -1.1978 -1.1779 4.4547 4.4565 5.1982 5.2197 6.1897 6.2199 7.2446 7.2853 7.8261 7.8942 8.3200 8.3483 8.9126 8.9754 9.6649 9.7225 14.9895 15.0090 k = 0.5476-0.0275 0.5346 ( 1834 PWs) bands (ev): -70.5145 -70.5145 -40.1453 -40.1444 -38.8848 -38.8833 -38.8821 -38.8817 -1.1944 -1.1743 4.4814 4.4830 5.1719 5.1927 6.1931 6.2246 7.2406 7.2795 7.8083 7.8769 8.3210 8.3463 8.9013 8.9602 9.6648 9.7229 15.0931 15.1128 k = 0.5417-0.0241 0.5443 ( 1832 PWs) bands (ev): -70.5145 -70.5145 -40.1453 -40.1444 -38.8848 -38.8833 -38.8821 -38.8817 -1.1911 -1.1708 4.5092 4.5106 5.1442 5.1645 6.1963 6.2288 7.2362 7.2734 7.7922 7.8610 8.3218 8.3440 8.8918 8.9467 9.6644 9.7228 15.1925 15.2122 k = 0.5357-0.0206 0.5541 ( 1836 PWs) bands (ev): -70.5145 -70.5145 -40.1453 -40.1444 -38.8848 -38.8833 -38.8822 -38.8817 -1.1880 -1.1675 4.5375 4.5391 5.1155 5.1356 6.1991 6.2326 7.2317 7.2672 7.7778 7.8467 8.3226 8.3415 8.8840 8.9351 9.6638 9.7223 15.2848 15.3043 k = 0.5298-0.0172 0.5638 ( 1832 PWs) bands (ev): -70.5145 -70.5145 -40.1453 -40.1444 -38.8848 -38.8832 -38.8822 -38.8818 -1.1851 -1.1644 4.5657 4.5679 5.0865 5.1066 6.2016 6.2359 7.2271 7.2611 7.7657 7.8345 8.3232 8.3389 8.8780 8.9255 9.6630 9.7216 15.3668 15.3860 k = 0.5238-0.0137 0.5735 ( 1832 PWs) bands (ev): -70.5145 -70.5145 -40.1453 -40.1444 -38.8848 -38.8832 -38.8823 -38.8818 -1.1825 -1.1617 4.5930 4.5960 5.0580 5.0785 6.2037 6.2386 7.2227 7.2554 7.7560 7.8247 8.3237 8.3363 8.8735 8.9178 9.6620 9.7207 15.4358 15.4546 k = 0.5179-0.0103 0.5832 ( 1832 PWs) bands (ev): -70.5145 -70.5145 -40.1453 -40.1444 -38.8848 -38.8832 -38.8823 -38.8818 -1.1803 -1.1594 4.6180 4.6222 5.0313 5.0527 6.2053 6.2407 7.2188 7.2504 7.7486 7.8172 8.3240 8.3339 8.8703 8.9119 9.6611 9.7198 15.4898 15.5082 k = 0.5119-0.0069 0.5929 ( 1832 PWs) bands (ev): -70.5145 -70.5145 -40.1453 -40.1444 -38.8848 -38.8832 -38.8823 -38.8818 -1.1787 -1.1576 4.6388 4.6443 5.0087 5.0312 6.2064 6.2422 7.2155 7.2464 7.7435 7.8120 8.3241 8.3319 8.8682 8.9078 9.6603 9.7190 15.5277 15.5459 k = 0.5060-0.0034 0.6027 ( 1832 PWs) bands (ev): -70.5145 -70.5145 -40.1453 -40.1444 -38.8848 -38.8831 -38.8823 -38.8818 -1.1776 -1.1565 4.6531 4.6597 4.9929 5.0164 6.2071 6.2431 7.2133 7.2438 7.7406 7.8091 8.3241 8.3306 8.8670 8.9055 9.6597 9.7184 15.5497 15.5678 k = 0.5000-0.0000 0.6124 ( 1856 PWs) bands (ev): -70.5146 -70.5146 -40.1453 -40.1444 -38.8848 -38.8831 -38.8824 -38.8818 -1.1772 -1.1561 4.6582 4.6653 4.9871 5.0110 6.2073 6.2434 7.2124 7.2428 7.7395 7.8079 8.3238 8.3299 8.8665 8.9046 9.6594 9.7180 15.5567 15.5748 k = 0.5000-0.0000 0.6124 ( 1856 PWs) bands (ev): -70.5146 -70.5146 -40.1453 -40.1444 -38.8848 -38.8831 -38.8824 -38.8818 -1.1772 -1.1561 4.6582 4.6653 4.9871 5.0110 6.2073 6.2434 7.2124 7.2428 7.7395 7.8079 8.3238 8.3299 8.8665 8.9046 9.6594 9.7180 15.5567 15.5748 k = 0.5000 0.0069 0.6027 ( 1828 PWs) bands (ev): -70.5145 -70.5145 -40.1453 -40.1444 -38.8848 -38.8831 -38.8823 -38.8818 -1.1780 -1.1569 4.6586 4.6657 4.9860 5.0100 6.2067 6.2426 7.2140 7.2446 7.7408 7.8093 8.3243 8.3310 8.8673 8.9061 9.6611 9.7198 15.5554 15.5735 k = 0.5000 0.0137 0.5929 ( 1828 PWs) bands (ev): -70.5145 -70.5145 -40.1453 -40.1444 -38.8848 -38.8831 -38.8823 -38.8818 -1.1803 -1.1593 4.6594 4.6665 4.9830 5.0069 6.2045 6.2402 7.2183 7.2496 7.7442 7.8126 8.3252 8.3335 8.8692 8.9102 9.6659 9.7245 15.5512 15.5697 k = 0.5000 0.0206 0.5832 ( 1828 PWs) bands (ev): -70.5145 -70.5145 -40.1453 -40.1444 -38.8848 -38.8831 -38.8823 -38.8818 -1.1843 -1.1632 4.6604 4.6675 4.9784 5.0022 6.2010 6.2363 7.2254 7.2579 7.7496 7.8179 8.3268 8.3373 8.8728 8.9171 9.6737 9.7322 15.5444 15.5634 k = 0.5000 0.0275 0.5735 ( 1828 PWs) bands (ev): -70.5145 -70.5145 -40.1453 -40.1444 -38.8847 -38.8831 -38.8823 -38.8818 -1.1897 -1.1688 4.6609 4.6680 4.9730 4.9967 6.1962 6.2310 7.2352 7.2692 7.7568 7.8251 8.3292 8.3421 8.8785 8.9267 9.6845 9.7430 15.5351 15.5548 k = 0.5000 0.0344 0.5638 ( 1830 PWs) bands (ev): -70.5145 -70.5145 -40.1453 -40.1444 -38.8847 -38.8832 -38.8822 -38.8817 -1.1966 -1.1758 4.6603 4.6670 4.9680 4.9913 6.1900 6.2241 7.2477 7.2834 7.7657 7.8338 8.3323 8.3474 8.8869 8.9393 9.6983 9.7567 15.5233 15.5438 k = 0.5000 0.0412 0.5541 ( 1828 PWs) bands (ev): -70.5145 -70.5145 -40.1453 -40.1444 -38.8847 -38.8832 -38.8822 -38.8817 -1.2049 -1.1842 4.6574 4.6636 4.9646 4.9874 6.1826 6.2160 7.2625 7.3002 7.7759 7.8438 8.3357 8.3532 8.8986 8.9552 9.7151 9.7733 15.5093 15.5307 k = 0.5000 0.0481 0.5443 ( 1830 PWs) bands (ev): -70.5145 -70.5145 -40.1452 -40.1444 -38.8847 -38.8832 -38.8821 -38.8816 -1.2146 -1.1941 4.6511 4.6567 4.9642 4.9862 6.1740 6.2066 7.2797 7.3194 7.7870 7.8546 8.3393 8.3588 8.9142 8.9746 9.7345 9.7925 15.4932 15.5156 k = 0.5000 0.0550 0.5346 ( 1830 PWs) bands (ev): -70.5145 -70.5145 -40.1452 -40.1443 -38.8847 -38.8832 -38.8821 -38.8816 -1.2256 -1.2052 4.6405 4.6453 4.9680 4.9890 6.1644 6.1960 7.2989 7.3409 7.7988 7.8660 8.3427 8.3639 8.9344 8.9979 9.7566 9.8144 15.4752 15.4987 k = 0.5000 0.0619 0.5249 ( 1830 PWs) bands (ev): -70.5145 -70.5145 -40.1452 -40.1443 -38.8847 -38.8832 -38.8820 -38.8815 -1.2377 -1.2176 4.6248 4.6293 4.9765 4.9964 6.1538 6.1845 7.3200 7.3642 7.8109 7.8776 8.3457 8.3683 8.9594 9.0255 9.7813 9.8388 15.4555 15.4800 k = 0.5000 0.0687 0.5152 ( 1828 PWs) bands (ev): -70.5145 -70.5145 -40.1452 -40.1443 -38.8847 -38.8832 -38.8819 -38.8814 -1.2510 -1.2311 4.6041 4.6087 4.9899 5.0089 6.1424 6.1720 7.3428 7.3893 7.8232 7.8892 8.3480 8.3716 8.9897 9.0574 9.8084 9.8655 15.4343 15.4598 k = 0.5000 0.0756 0.5055 ( 1828 PWs) bands (ev): -70.5145 -70.5145 -40.1451 -40.1443 -38.8847 -38.8833 -38.8818 -38.8814 -1.2652 -1.2456 4.5789 4.5840 5.0079 5.0261 6.1302 6.1587 7.3671 7.4157 7.8353 7.9006 8.3493 8.3736 9.0254 9.0939 9.8379 9.8946 15.4117 15.4380 k = 0.5000 0.0825 0.4957 ( 1828 PWs) bands (ev): -70.5146 -70.5145 -40.1451 -40.1442 -38.8847 -38.8833 -38.8817 -38.8813 -1.2804 -1.2610 4.5499 4.5557 5.0300 5.0476 6.1173 6.1448 7.3926 7.4435 7.8471 7.9117 8.3496 8.3744 9.0663 9.1350 9.8695 9.9257 15.3877 15.4150 k = 0.5000 0.0894 0.4860 ( 1828 PWs) bands (ev): -70.5146 -70.5146 -40.1450 -40.1442 -38.8847 -38.8833 -38.8816 -38.8812 -1.2963 -1.2773 4.5180 4.5244 5.0556 5.0727 6.1039 6.1303 7.4192 7.4722 7.8586 7.9222 8.3486 8.3739 9.1124 9.1805 9.9032 9.9589 15.3627 15.3906 k = 0.5000 0.0962 0.4763 ( 1828 PWs) bands (ev): -70.5146 -70.5146 -40.1450 -40.1442 -38.8847 -38.8833 -38.8815 -38.8811 -1.3130 -1.2942 4.4838 4.4908 5.0841 5.1010 6.0901 6.1154 7.4467 7.5019 7.8695 7.9322 8.3464 8.3723 9.1633 9.2303 9.9389 9.9939 15.3364 15.3649 k = 0.5000 0.1031 0.4666 ( 1832 PWs) bands (ev): -70.5146 -70.5146 -40.1450 -40.1441 -38.8847 -38.8834 -38.8814 -38.8810 -1.3301 -1.3118 4.4482 4.4554 5.1150 5.1317 6.0759 6.1001 7.4749 7.5322 7.8799 7.9416 8.3430 8.3697 9.2185 9.2840 9.9764 10.0307 15.3091 15.3379 k = 0.5000 0.1100 0.4568 ( 1828 PWs) bands (ev): -70.5146 -70.5146 -40.1449 -40.1441 -38.8847 -38.8834 -38.8813 -38.8810 -1.3478 -1.3299 4.4114 4.4190 5.1479 5.1645 6.0615 6.0847 7.5037 7.5630 7.8899 7.9506 8.3385 8.3663 9.2777 9.3414 10.0157 10.0691 15.2807 15.3096 k = 0.5000 0.1168 0.4471 ( 1824 PWs) bands (ev): -70.5146 -70.5146 -40.1449 -40.1441 -38.8847 -38.8834 -38.8812 -38.8809 -1.3658 -1.3483 4.3741 4.3817 5.1824 5.1989 6.0470 6.0691 7.5329 7.5942 7.8993 7.9589 8.3332 8.3623 9.3403 9.4021 10.0564 10.1089 15.2511 15.2798 k = 0.5000 0.1237 0.4374 ( 1826 PWs) bands (ev): -70.5146 -70.5146 -40.1448 -40.1440 -38.8846 -38.8835 -38.8810 -38.8808 -1.3840 -1.3670 4.3365 4.3442 5.2180 5.2344 6.0324 6.0535 7.5623 7.6255 7.9082 7.9668 8.3270 8.3576 9.4059 9.4656 10.0986 10.1500 15.2202 15.2484 k = 0.5000 0.1306 0.4277 ( 1826 PWs) bands (ev): -70.5146 -70.5146 -40.1448 -40.1440 -38.8846 -38.8835 -38.8809 -38.8807 -1.4024 -1.3858 4.2989 4.3066 5.2546 5.2708 6.0179 6.0379 7.5917 7.6568 7.9167 7.9741 8.3202 8.3526 9.4741 9.5316 10.1419 10.1921 15.1879 15.2153 k = 0.5000 0.1375 0.4180 ( 1826 PWs) bands (ev): -70.5146 -70.5146 -40.1447 -40.1440 -38.8846 -38.8835 -38.8808 -38.8806 -1.4207 -1.4047 4.2617 4.2693 5.2917 5.3077 6.0035 6.0225 7.6210 7.6880 7.9247 7.9810 8.3130 8.3472 9.5445 9.5997 10.1862 10.2351 15.1539 15.1802 k = 0.5000 0.1443 0.4082 ( 1826 PWs) bands (ev): -70.5146 -70.5146 -40.1447 -40.1439 -38.8846 -38.8836 -38.8807 -38.8805 -1.4390 -1.4235 4.2251 4.2325 5.3291 5.3448 5.9892 6.0073 7.6501 7.7189 7.9324 7.9876 8.3056 8.3417 9.6166 9.6696 10.2312 10.2787 15.1180 15.1430 k = 0.5000 0.1512 0.3985 ( 1826 PWs) bands (ev): -70.5146 -70.5146 -40.1446 -40.1439 -38.8846 -38.8836 -38.8805 -38.8804 -1.4571 -1.4422 4.1892 4.1964 5.3665 5.3819 5.9752 5.9923 7.6787 7.7493 7.9397 7.9938 8.2980 8.3360 9.6902 9.7410 10.2766 10.3226 15.0799 15.1033 k = 0.5000 0.1581 0.3888 ( 1822 PWs) bands (ev): -70.5146 -70.5146 -40.1445 -40.1439 -38.8846 -38.8837 -38.8804 -38.8803 -1.4749 -1.4606 4.1543 4.1613 5.4037 5.4187 5.9616 5.9777 7.7068 7.7792 7.9467 7.9996 8.2904 8.3303 9.7650 9.8136 10.3224 10.3666 15.0394 15.0611 k = 0.5000 0.1650 0.3791 ( 1826 PWs) bands (ev): -70.5146 -70.5146 -40.1445 -40.1438 -38.8846 -38.8837 -38.8803 -38.8802 -1.4924 -1.4787 4.1204 4.1272 5.4402 5.4549 5.9483 5.9635 7.7341 7.8081 7.9533 8.0051 8.2829 8.3247 9.8406 9.8869 10.3679 10.4103 14.9962 15.0160 k = 0.5000 0.1718 0.3694 ( 1828 PWs) bands (ev): -70.5146 -70.5146 -40.1444 -40.1438 -38.8846 -38.8837 -38.8802 -38.8801 -1.5094 -1.4963 4.0879 4.0943 5.4762 5.4903 5.9355 5.9497 7.7605 7.8362 7.9597 8.0103 8.2757 8.3192 9.9168 9.9609 10.4130 10.4535 14.9502 14.9680 k = 0.5000 0.1787 0.3596 ( 1828 PWs) bands (ev): -70.5146 -70.5146 -40.1444 -40.1438 -38.8845 -38.8838 -38.8801 -38.8800 -1.5258 -1.5134 4.0566 4.0628 5.5112 5.5248 5.9231 5.9364 7.7860 7.8632 7.9658 8.0154 8.2688 8.3138 9.9934 10.0353 10.4574 10.4958 14.9012 14.9169 k = 0.5000 0.1856 0.3499 ( 1830 PWs) bands (ev): -70.5146 -70.5146 -40.1443 -40.1438 -38.8845 -38.8838 -38.8800 -38.8799 -1.5416 -1.5298 4.0269 4.0327 5.5450 5.5580 5.9113 5.9237 7.8104 7.8889 7.9717 8.0201 8.2623 8.3087 10.0699 10.1096 10.5008 10.5370 14.8492 14.8630 k = 0.5000 0.1925 0.3402 ( 1830 PWs) bands (ev): -70.5146 -70.5146 -40.1443 -40.1437 -38.8845 -38.8838 -38.8798 -38.8798 -1.5567 -1.5456 3.9987 4.0041 5.5775 5.5899 5.9001 5.9116 7.8335 7.9131 7.9772 8.0246 8.2564 8.3039 10.1461 10.1836 10.5427 10.5767 14.7943 14.8062 k = 0.5000 0.1993 0.3305 ( 1836 PWs) bands (ev): -70.5147 -70.5147 -40.1442 -40.1437 -38.8845 -38.8839 -38.8797 -38.8797 -1.5710 -1.5607 3.9721 3.9772 5.6086 5.6203 5.8894 5.9001 7.8552 7.9358 7.9825 8.0288 8.2511 8.2993 10.2217 10.2570 10.5830 10.6147 14.7369 14.7469 k = 0.5000 0.2062 0.3208 ( 1836 PWs) bands (ev): -70.5147 -70.5147 -40.1442 -40.1437 -38.8845 -38.8839 -38.8796 -38.8796 -1.5845 -1.5749 3.9473 3.9521 5.6380 5.6489 5.8795 5.8893 7.8755 7.9568 7.9875 8.0328 8.2466 8.2950 10.2962 10.3292 10.6213 10.6506 14.6772 14.6856 k = 0.5000 0.2131 0.3110 ( 1840 PWs) bands (ev): -70.5147 -70.5147 -40.1441 -40.1437 -38.8845 -38.8839 -38.8796 -38.8795 -1.5971 -1.5882 3.9243 3.9286 5.6656 5.6757 5.8702 5.8791 7.8944 7.9759 7.9922 8.0365 8.2429 8.2910 10.3692 10.3999 10.6573 10.6842 14.6160 14.6228 k = 0.5000 0.2199 0.3013 ( 1842 PWs) bands (ev): -70.5147 -70.5147 -40.1441 -40.1437 -38.8845 -38.8840 -38.8795 -38.8794 -1.6087 -1.6006 3.9031 3.9071 5.6913 5.7006 5.8617 5.8698 7.9117 7.9928 7.9967 8.0401 8.2402 8.2873 10.4401 10.4685 10.6909 10.7154 14.5539 14.5594 k = 0.5000 0.2268 0.2916 ( 1840 PWs) bands (ev): -70.5147 -70.5147 -40.1440 -40.1437 -38.8844 -38.8840 -38.8794 -38.8794 -1.6194 -1.6120 3.8838 3.8874 5.7149 5.7234 5.8540 5.8612 7.9275 8.0000 8.0085 8.0434 8.2384 8.2839 10.5083 10.5343 10.7219 10.7439 14.4920 14.4964 k = 0.5000 0.2337 0.2819 ( 1842 PWs) bands (ev): -70.5147 -70.5147 -40.1440 -40.1437 -38.8844 -38.8840 -38.8793 -38.8793 -1.6290 -1.6224 3.8664 3.8696 5.7364 5.7439 5.8471 5.8534 7.9417 8.0035 8.0214 8.0465 8.2376 8.2807 10.5730 10.5965 10.7501 10.7697 14.4313 14.4348 k = 0.5000 0.2406 0.2722 ( 1836 PWs) bands (ev): -70.5147 -70.5147 -40.1439 -40.1436 -38.8844 -38.8841 -38.8793 -38.8793 -1.6375 -1.6317 3.8510 3.8539 5.7556 5.7623 5.8410 5.8465 7.9544 8.0064 8.0323 8.0494 8.2378 8.2777 10.6335 10.6545 10.7753 10.7924 14.3731 14.3759 k = 0.5000 0.2474 0.2624 ( 1832 PWs) bands (ev): -70.5147 -70.5147 -40.1439 -40.1436 -38.8844 -38.8841 -38.8792 -38.8792 -1.6449 -1.6399 3.8377 3.8401 5.7725 5.7782 5.8357 5.8404 7.9657 8.0087 8.0412 8.0521 8.2390 8.2748 10.6888 10.7071 10.7975 10.8122 14.3188 14.3211 k = 0.5000 0.2543 0.2527 ( 1834 PWs) bands (ev): -70.5147 -70.5147 -40.1439 -40.1436 -38.8844 -38.8841 -38.8792 -38.8792 -1.6511 -1.6470 3.8263 3.8284 5.7869 5.7916 5.8313 5.8352 7.9754 8.0102 8.0481 8.0544 8.2409 8.2720 10.7381 10.7536 10.8166 10.8288 14.2698 14.2717 k = 0.5000 0.2612 0.2430 ( 1834 PWs) bands (ev): -70.5147 -70.5147 -40.1438 -40.1437 -38.8843 -38.8841 -38.8791 -38.8791 -1.6562 -1.6529 3.8171 3.8187 5.7988 5.8025 5.8279 5.8309 7.9838 8.0110 8.0533 8.0565 8.2435 8.2691 10.7804 10.7930 10.8324 10.8422 14.2273 14.2290 k = 0.5000 0.2681 0.2333 ( 1834 PWs) bands (ev): -70.5147 -70.5147 -40.1438 -40.1437 -38.8843 -38.8842 -38.8791 -38.8791 -1.6600 -1.6575 3.8099 3.8111 5.8080 5.8106 5.8257 5.8277 7.9910 8.0109 8.0570 8.0583 8.2465 8.2662 10.8147 10.8244 10.8451 10.8524 14.1929 14.1941 k = 0.5000 0.2749 0.2236 ( 1840 PWs) bands (ev): -70.5147 -70.5147 -40.1438 -40.1437 -38.8843 -38.8842 -38.8791 -38.8791 -1.6627 -1.6610 3.8048 3.8056 5.8143 5.8156 5.8248 5.8257 7.9969 8.0100 8.0593 8.0597 8.2498 8.2631 10.8403 10.8468 10.8546 10.8595 14.1674 14.1683 k = 0.5000 0.2818 0.2138 ( 1850 PWs) bands (ev): -70.5147 -70.5147 -40.1437 -40.1437 -38.8843 -38.8842 -38.8791 -38.8791 -1.6641 -1.6633 3.8019 3.8023 5.8174 5.8176 5.8250 5.8252 8.0016 8.0081 8.0605 8.0605 8.2532 8.2599 10.8563 10.8589 10.8617 10.8634 14.1519 14.1524 k = 0.5000 0.2887 0.2041 ( 1850 PWs) bands (ev): -70.5147 -70.5147 -40.1437 -40.1437 -38.8842 -38.8842 -38.8791 -38.8791 -1.6643 -1.6643 3.8010 3.8010 5.8180 5.8180 5.8254 5.8254 8.0053 8.0053 8.0609 8.0609 8.2566 8.2566 10.8618 10.8618 10.8650 10.8650 14.1469 14.1469 k = 0.5000 0.2887 0.2041 ( 1850 PWs) bands (ev): -70.5147 -70.5147 -40.1437 -40.1437 -38.8842 -38.8842 -38.8791 -38.8791 -1.6643 -1.6643 3.8010 3.8010 5.8180 5.8180 5.8254 5.8254 8.0053 8.0053 8.0609 8.0609 8.2566 8.2566 10.8618 10.8618 10.8650 10.8650 14.1469 14.1469 k = 0.4966 0.2867 0.2152 ( 1850 PWs) bands (ev): -70.5147 -70.5147 -40.1437 -40.1437 -38.8843 -38.8842 -38.8791 -38.8791 -1.6641 -1.6633 3.8018 3.8022 5.8174 5.8176 5.8251 5.8252 8.0017 8.0081 8.0605 8.0605 8.2532 8.2598 10.8566 10.8587 10.8623 10.8632 14.1518 14.1522 k = 0.4932 0.2848 0.2262 ( 1841 PWs) bands (ev): -70.5147 -70.5147 -40.1438 -40.1437 -38.8843 -38.8842 -38.8791 -38.8791 -1.6628 -1.6611 3.8047 3.8055 5.8146 5.8155 5.8250 5.8254 7.9970 8.0099 8.0594 8.0597 8.2499 8.2630 10.8414 10.8463 10.8563 10.8589 14.1668 14.1676 k = 0.4899 0.2828 0.2372 ( 1834 PWs) bands (ev): -70.5147 -70.5147 -40.1438 -40.1437 -38.8843 -38.8842 -38.8791 -38.8791 -1.6602 -1.6578 3.8096 3.8108 5.8087 5.8105 5.8261 5.8272 7.9913 8.0109 8.0573 8.0582 8.2467 8.2660 10.8169 10.8242 10.8478 10.8516 14.1913 14.1926 k = 0.4865 0.2809 0.2483 ( 1832 PWs) bands (ev): -70.5147 -70.5147 -40.1438 -40.1437 -38.8843 -38.8841 -38.8791 -38.8791 -1.6565 -1.6532 3.8165 3.8181 5.7999 5.8026 5.8285 5.8302 7.9844 8.0110 8.0540 8.0563 8.2437 8.2689 10.7839 10.7935 10.8362 10.8413 14.2247 14.2262 k = 0.4831 0.2789 0.2593 ( 1834 PWs) bands (ev): -70.5147 -70.5147 -40.1439 -40.1436 -38.8844 -38.8841 -38.8792 -38.8792 -1.6516 -1.6475 3.8255 3.8275 5.7885 5.7920 5.8318 5.8341 7.9762 8.0102 8.0494 8.0539 8.2411 8.2718 10.7429 10.7548 10.8217 10.8280 14.2657 14.2674 k = 0.4797 0.2770 0.2703 ( 1835 PWs) bands (ev): -70.5147 -70.5147 -40.1439 -40.1436 -38.8844 -38.8841 -38.8792 -38.8792 -1.6456 -1.6407 3.8364 3.8388 5.7746 5.7789 5.8362 5.8390 7.9668 8.0085 8.0434 8.0511 8.2392 8.2746 10.6950 10.7090 10.8043 10.8118 14.3129 14.3147 k = 0.4764 0.2750 0.2814 ( 1837 PWs) bands (ev): -70.5147 -70.5147 -40.1439 -40.1436 -38.8844 -38.8841 -38.8793 -38.8792 -1.6384 -1.6328 3.8493 3.8521 5.7584 5.7635 5.8414 5.8447 7.9559 8.0057 8.0359 8.0480 8.2381 8.2774 10.6409 10.6571 10.7842 10.7929 14.3648 14.3665 k = 0.4730 0.2731 0.2924 ( 1837 PWs) bands (ev): -70.5147 -70.5147 -40.1440 -40.1436 -38.8844 -38.8840 -38.8793 -38.8793 -1.6302 -1.6237 3.8642 3.8674 5.7400 5.7458 5.8474 5.8512 7.9436 8.0017 8.0273 8.0445 8.2379 8.2804 10.5816 10.5999 10.7615 10.7713 14.4194 14.4209 k = 0.4696 0.2711 0.3034 ( 1835 PWs) bands (ev): -70.5147 -70.5147 -40.1440 -40.1437 -38.8844 -38.8840 -38.8794 -38.8794 -1.6209 -1.6137 3.8810 3.8845 5.7193 5.7258 5.8542 5.8585 7.9298 7.9954 8.0183 8.0409 8.2387 8.2836 10.5179 10.5382 10.7363 10.7473 14.4746 14.4757 k = 0.4662 0.2692 0.3145 ( 1833 PWs) bands (ev): -70.5147 -70.5147 -40.1441 -40.1437 -38.8844 -38.8840 -38.8795 -38.8794 -1.6106 -1.6026 3.8996 3.9035 5.6966 5.7038 5.8618 5.8666 7.9144 7.9856 8.0103 8.0370 8.2406 8.2871 10.4507 10.4729 10.7088 10.7209 14.5281 14.5288 k = 0.4628 0.2672 0.3255 ( 1833 PWs) bands (ev): -70.5147 -70.5147 -40.1441 -40.1437 -38.8845 -38.8839 -38.8795 -38.8795 -1.5993 -1.5906 3.9200 3.9243 5.6718 5.6797 5.8701 5.8754 7.8974 7.9717 8.0039 8.0329 8.2437 8.2909 10.3807 10.4049 10.6791 10.6924 14.5776 14.5777 k = 0.4595 0.2653 0.3365 ( 1832 PWs) bands (ev): -70.5147 -70.5147 -40.1442 -40.1437 -38.8845 -38.8839 -38.8796 -38.8796 -1.5872 -1.5777 3.9422 3.9469 5.6452 5.6539 5.8791 5.8848 7.8788 7.9544 7.9984 8.0286 8.2477 8.2951 10.3087 10.3348 10.6474 10.6618 14.6201 14.6207 k = 0.4561 0.2633 0.3476 ( 1830 PWs) bands (ev): -70.5146 -70.5146 -40.1442 -40.1437 -38.8845 -38.8839 -38.8797 -38.8797 -1.5741 -1.5639 3.9661 3.9712 5.6169 5.6262 5.8887 5.8949 7.8587 7.9345 7.9933 8.0243 8.2528 8.2997 10.2353 10.2632 10.6140 10.6294 14.6540 14.6554 k = 0.4527 0.2614 0.3586 ( 1828 PWs) bands (ev): -70.5146 -70.5146 -40.1443 -40.1437 -38.8845 -38.8838 -38.8798 -38.8798 -1.5602 -1.5493 3.9916 3.9970 5.5870 5.5970 5.8989 5.9056 7.8369 7.9124 7.9884 8.0200 8.2588 8.3047 10.1611 10.1909 10.5788 10.5953 14.6782 14.6804 k = 0.4493 0.2594 0.3696 ( 1826 PWs) bands (ev): -70.5146 -70.5146 -40.1443 -40.1438 -38.8845 -38.8838 -38.8799 -38.8799 -1.5456 -1.5340 4.0186 4.0243 5.5556 5.5663 5.9097 5.9169 7.8136 7.8882 7.9836 8.0156 8.2657 8.3101 10.0866 10.1183 10.5423 10.5597 14.6921 14.6949 k = 0.4459 0.2575 0.3807 ( 1826 PWs) bands (ev): -70.5146 -70.5146 -40.1444 -40.1438 -38.8845 -38.8838 -38.8800 -38.8799 -1.5302 -1.5180 4.0470 4.0530 5.5231 5.5344 5.9210 5.9287 7.7888 7.8623 7.9788 8.0114 8.2733 8.3159 10.0123 10.0459 10.5043 10.5227 14.6959 14.6994 k = 0.4426 0.2555 0.3917 ( 1824 PWs) bands (ev): -70.5146 -70.5146 -40.1444 -40.1438 -38.8846 -38.8837 -38.8801 -38.8800 -1.5143 -1.5014 4.0766 4.0828 5.4895 5.5015 5.9328 5.9409 7.7626 7.8349 7.9742 8.0072 8.2816 8.3221 9.9387 9.9742 10.4653 10.4846 14.6908 14.6948 k = 0.4392 0.2536 0.4027 ( 1822 PWs) bands (ev): -70.5146 -70.5146 -40.1445 -40.1438 -38.8846 -38.8837 -38.8803 -38.8801 -1.4978 -1.4843 4.1072 4.1137 5.4552 5.4679 5.9449 5.9536 7.7352 7.8062 7.9696 8.0032 8.2905 8.3286 9.8661 9.9036 10.4252 10.4454 14.6781 14.6825 k = 0.4358 0.2516 0.4138 ( 1824 PWs) bands (ev): -70.5146 -70.5146 -40.1445 -40.1439 -38.8846 -38.8837 -38.8804 -38.8802 -1.4809 -1.4668 4.1386 4.1453 5.4204 5.4339 5.9575 5.9666 7.7067 7.7762 7.9653 7.9994 8.2999 8.3353 9.7948 9.8343 10.3843 10.4054 14.6593 14.6641 k = 0.4324 0.2497 0.4248 ( 1828 PWs) bands (ev): -70.5146 -70.5146 -40.1446 -40.1439 -38.8846 -38.8836 -38.8805 -38.8803 -1.4636 -1.4490 4.1706 4.1775 5.3856 5.3998 5.9703 5.9798 7.6773 7.7453 7.9610 7.9958 8.3097 8.3423 9.7252 9.7668 10.3427 10.3646 14.6360 14.6409 k = 0.4291 0.2477 0.4358 ( 1832 PWs) bands (ev): -70.5146 -70.5146 -40.1446 -40.1439 -38.8846 -38.8836 -38.8806 -38.8804 -1.4460 -1.4309 4.2028 4.2098 5.3511 5.3660 5.9833 5.9933 7.6471 7.7136 7.9572 7.9927 8.3198 8.3493 9.6575 9.7014 10.3005 10.3233 14.6094 14.6144 k = 0.4257 0.2458 0.4469 ( 1832 PWs) bands (ev): -70.5146 -70.5146 -40.1447 -40.1440 -38.8846 -38.8836 -38.8807 -38.8805 -1.4283 -1.4126 4.2348 4.2419 5.3174 5.3331 5.9964 6.0069 7.6164 7.6815 7.9538 7.9899 8.3300 8.3564 9.5921 9.6384 10.2579 10.2815 14.5805 14.5856 k = 0.4223 0.2438 0.4579 ( 1830 PWs) bands (ev): -70.5146 -70.5146 -40.1447 -40.1440 -38.8847 -38.8835 -38.8808 -38.8806 -1.4105 -1.3944 4.2661 4.2731 5.2851 5.3017 6.0097 6.0205 7.5855 7.6491 7.9508 7.9876 8.3403 8.3633 9.5293 9.5780 10.2151 10.2394 14.5504 14.5554 k = 0.4189 0.2419 0.4689 ( 1826 PWs) bands (ev): -70.5146 -70.5146 -40.1448 -40.1440 -38.8847 -38.8835 -38.8809 -38.8807 -1.3927 -1.3762 4.2960 4.3029 5.2550 5.2725 6.0230 6.0342 7.5545 7.6166 7.9483 7.9859 8.3505 8.3698 9.4691 9.5204 10.1721 10.1972 14.5195 14.5245 k = 0.4155 0.2399 0.4800 ( 1826 PWs) bands (ev): -70.5146 -70.5146 -40.1448 -40.1441 -38.8847 -38.8835 -38.8811 -38.8808 -1.3751 -1.3582 4.3239 4.3306 5.2278 5.2463 6.0362 6.0478 7.5236 7.5845 7.9465 7.9848 8.3603 8.3758 9.4120 9.4661 10.1291 10.1549 14.4886 14.4935 k = 0.4122 0.2380 0.4910 ( 1829 PWs) bands (ev): -70.5146 -70.5146 -40.1449 -40.1441 -38.8847 -38.8835 -38.8812 -38.8809 -1.3578 -1.3405 4.3487 4.3551 5.2045 5.2241 6.0492 6.0611 7.4932 7.5527 7.9453 7.9842 8.3695 8.3809 9.3581 9.4151 10.0862 10.1127 14.4580 14.4627 k = 0.4088 0.2360 0.5020 ( 1829 PWs) bands (ev): -70.5146 -70.5146 -40.1449 -40.1441 -38.8847 -38.8835 -38.8813 -38.8809 -1.3409 -1.3233 4.3697 4.3757 5.1861 5.2069 6.0621 6.0743 7.4635 7.5218 7.9448 7.9844 8.3778 8.3851 9.3078 9.3679 10.0436 10.0707 14.4279 14.4326 k = 0.4054 0.2341 0.5131 ( 1832 PWs) bands (ev): -70.5146 -70.5146 -40.1450 -40.1442 -38.8847 -38.8835 -38.8814 -38.8810 -1.3245 -1.3066 4.3857 4.3913 5.1737 5.1956 6.0745 6.0870 7.4348 7.4920 7.9451 7.9854 8.3849 8.3879 9.2614 9.3247 10.0013 10.0290 14.3988 14.4032 k = 0.4020 0.2321 0.5241 ( 1834 PWs) bands (ev): -70.5146 -70.5146 -40.1450 -40.1442 -38.8848 -38.8834 -38.8814 -38.8811 -1.3087 -1.2906 4.3960 4.4011 5.1682 5.1912 6.0866 6.0993 7.4074 7.4636 7.9463 7.9872 8.3892 8.3905 9.2193 9.2859 9.9594 9.9876 14.3707 14.3750 k = 0.3986 0.2302 0.5351 ( 1830 PWs) bands (ev): -70.5146 -70.5146 -40.1450 -40.1442 -38.8848 -38.8834 -38.8815 -38.8811 -1.2938 -1.2755 4.4001 4.4048 5.1701 5.1942 6.0983 6.1112 7.3816 7.4367 7.9484 7.9899 8.3886 8.3942 9.1819 9.2517 9.9182 9.9469 14.3439 14.3479 k = 0.3953 0.2282 0.5462 ( 1829 PWs) bands (ev): -70.5146 -70.5146 -40.1451 -40.1443 -38.8848 -38.8835 -38.8816 -38.8812 -1.2798 -1.2614 4.3977 4.4021 5.1795 5.2047 6.1094 6.1224 7.3576 7.4118 7.9514 7.9934 8.3858 8.3957 9.1496 9.2225 9.8776 9.9069 14.3183 14.3221 k = 0.3919 0.2263 0.5572 ( 1829 PWs) bands (ev): -70.5145 -70.5145 -40.1451 -40.1443 -38.8848 -38.8835 -38.8816 -38.8812 -1.2668 -1.2483 4.3894 4.3935 5.1962 5.2223 6.1198 6.1330 7.3357 7.3891 7.9554 7.9979 8.3807 8.3944 9.1227 9.1984 9.8379 9.8676 14.2940 14.2976 k = 0.3885 0.2243 0.5682 ( 1830 PWs) bands (ev): -70.5145 -70.5145 -40.1451 -40.1443 -38.8848 -38.8835 -38.8817 -38.8813 -1.2551 -1.2366 4.3758 4.3796 5.2195 5.2464 6.1296 6.1427 7.3162 7.3688 7.9604 8.0032 8.3731 8.3902 9.1015 9.1795 9.7991 9.8292 14.2711 14.2745 k = 0.3851 0.2224 0.5793 ( 1830 PWs) bands (ev): -70.5145 -70.5145 -40.1451 -40.1443 -38.8849 -38.8835 -38.8817 -38.8813 -1.2447 -1.2262 4.3578 4.3615 5.2483 5.2759 6.1386 6.1517 7.2992 7.3512 7.9664 8.0096 8.3630 8.3830 9.0862 9.1660 9.7614 9.7919 14.2496 14.2528 k = 0.3818 0.2204 0.5903 ( 1828 PWs) bands (ev): -70.5145 -70.5145 -40.1452 -40.1444 -38.8849 -38.8835 -38.8817 -38.8813 -1.2357 -1.2173 4.3366 4.3401 5.2816 5.3098 6.1467 6.1598 7.2851 7.3364 7.9734 8.0169 8.3507 8.3728 9.0769 9.1578 9.7250 9.7558 14.2295 14.2324 k = 0.3784 0.2185 0.6013 ( 1832 PWs) bands (ev): -70.5145 -70.5145 -40.1452 -40.1444 -38.8849 -38.8836 -38.8817 -38.8813 -1.2284 -1.2102 4.3131 4.3165 5.3183 5.3471 6.1540 6.1669 7.2740 7.3248 7.9814 8.0251 8.3363 8.3599 9.0732 9.1546 9.6899 9.7210 14.2107 14.2133 k = 0.3750 0.2165 0.6124 ( 1838 PWs) bands (ev): -70.5146 -70.5146 -40.1452 -40.1444 -38.8849 -38.8836 -38.8817 -38.8814 -1.2229 -1.2048 4.2882 4.2914 5.3575 5.3868 6.1603 6.1731 7.2661 7.3163 7.9904 8.0341 8.3203 8.3449 9.0749 9.1562 9.6564 9.6876 14.1932 14.1956 k = 0.6250-0.0722 0.4082 ( 1838 PWs) bands (ev): -70.5146 -70.5146 -40.1452 -40.1444 -38.8849 -38.8836 -38.8817 -38.8814 -1.2229 -1.2048 4.2882 4.2914 5.3575 5.3868 6.1603 6.1731 7.2661 7.3163 7.9904 8.0341 8.3203 8.3449 9.0749 9.1562 9.6564 9.6876 14.1932 14.1956 k = 0.6190-0.0825 0.4082 ( 1834 PWs) bands (ev): -70.5145 -70.5145 -40.1452 -40.1444 -38.8849 -38.8837 -38.8817 -38.8814 -1.2151 -1.1975 4.2443 4.2473 5.4286 5.4586 6.1705 6.1829 7.2566 7.3059 8.0069 8.0507 8.2921 8.3180 9.0820 9.1626 9.5993 9.6308 14.1639 14.1658 k = 0.6131-0.0928 0.4082 ( 1834 PWs) bands (ev): -70.5145 -70.5145 -40.1452 -40.1444 -38.8849 -38.8838 -38.8817 -38.8814 -1.2085 -1.1913 4.2017 4.2045 5.4998 5.5306 6.1806 6.1926 7.2497 7.2979 8.0234 8.0673 8.2661 8.2934 9.0876 9.1676 9.5437 9.5755 14.1352 14.1366 k = 0.6071-0.1031 0.4082 ( 1834 PWs) bands (ev): -70.5145 -70.5145 -40.1452 -40.1445 -38.8849 -38.8838 -38.8816 -38.8814 -1.2028 -1.1861 4.1607 4.1633 5.5708 5.6021 6.1906 6.2021 7.2454 7.2923 8.0399 8.0837 8.2426 8.2716 9.0915 9.1710 9.4896 9.5217 14.1069 14.1078 k = 0.6012-0.1134 0.4082 ( 1828 PWs) bands (ev): -70.5145 -70.5145 -40.1452 -40.1445 -38.8849 -38.8839 -38.8816 -38.8814 -1.1980 -1.1819 4.1214 4.1237 5.6410 5.6727 6.2004 6.2115 7.2436 7.2892 8.0563 8.0999 8.2222 8.2530 9.0936 9.1727 9.4372 9.4695 14.0789 14.0791 k = 0.5952-0.1237 0.4082 ( 1828 PWs) bands (ev): -70.5145 -70.5145 -40.1452 -40.1445 -38.8850 -38.8840 -38.8816 -38.8814 -1.1939 -1.1784 4.0838 4.0859 5.7097 5.7416 6.2099 6.2206 7.2443 7.2882 8.0725 8.1155 8.2052 8.2378 9.0937 9.1725 9.3863 9.4190 14.0504 14.0508 k = 0.5893-0.1340 0.4082 ( 1816 PWs) bands (ev): -70.5145 -70.5145 -40.1452 -40.1445 -38.8850 -38.8841 -38.8815 -38.8814 -1.1905 -1.1758 4.0481 4.0500 5.7765 5.8083 6.2193 6.2294 7.2472 7.2891 8.0886 8.1302 8.1927 8.2266 9.0916 9.1702 9.3374 9.3704 14.0215 14.0224 k = 0.5833-0.1443 0.4082 ( 1816 PWs) bands (ev): -70.5145 -70.5145 -40.1452 -40.1446 -38.8850 -38.8841 -38.8815 -38.8814 -1.1877 -1.1737 4.0142 4.0159 5.8407 5.8722 6.2283 6.2379 7.2522 7.2918 8.1043 8.1425 8.1861 8.2195 9.0872 9.1657 9.2902 9.3237 13.9920 13.9935 k = 0.5774-0.1546 0.4082 ( 1816 PWs) bands (ev): -70.5145 -70.5145 -40.1452 -40.1446 -38.8850 -38.8842 -38.8815 -38.8814 -1.1855 -1.1723 3.9824 3.9839 5.9018 5.9327 6.2370 6.2461 7.2589 7.2958 8.1198 8.1505 8.1877 8.2168 9.0804 9.1589 9.2451 9.2790 13.9617 13.9638 k = 0.5714-0.1650 0.4082 ( 1816 PWs) bands (ev): -70.5145 -70.5145 -40.1451 -40.1446 -38.8850 -38.8843 -38.8814 -38.8813 -1.1837 -1.1713 3.9527 3.9540 5.9593 5.9894 6.2453 6.2538 7.2669 7.3010 8.1352 8.1552 8.1967 8.2187 9.0710 9.1497 9.2021 9.2366 13.9304 13.9332 k = 0.5655-0.1753 0.4082 ( 1808 PWs) bands (ev): -70.5145 -70.5145 -40.1451 -40.1446 -38.8850 -38.8843 -38.8814 -38.8813 -1.1822 -1.1708 3.9251 3.9263 6.0129 6.0417 6.2531 6.2610 7.2759 7.3068 8.1510 8.1608 8.2094 8.2248 9.0592 9.1381 9.1614 9.1966 13.8982 13.9015 k = 0.5595-0.1856 0.4082 ( 1808 PWs) bands (ev): -70.5145 -70.5145 -40.1451 -40.1447 -38.8850 -38.8844 -38.8814 -38.8813 -1.1811 -1.1706 3.8997 3.9008 6.0621 6.0894 6.2605 6.2678 7.2854 7.3128 8.1673 8.1697 8.2232 8.2347 9.0447 9.1230 9.1240 9.1592 13.8649 13.8688 k = 0.5536-0.1959 0.4082 ( 1812 PWs) bands (ev): -70.5145 -70.5145 -40.1451 -40.1447 -38.8850 -38.8845 -38.8813 -38.8813 -1.1802 -1.1706 3.8766 3.8775 6.1068 6.1322 6.2674 6.2741 7.2948 7.3188 8.1826 8.1845 8.2372 8.2479 9.0277 9.0874 9.1072 9.1245 13.8308 13.8352 k = 0.5476-0.2062 0.4082 ( 1812 PWs) bands (ev): -70.5145 -70.5145 -40.1451 -40.1447 -38.8850 -38.8845 -38.8813 -38.8813 -1.1795 -1.1709 3.8558 3.8566 6.1468 6.1701 6.2738 6.2797 7.3038 7.3243 8.1996 8.2022 8.2509 8.2641 9.0088 9.0546 9.0883 9.0925 13.7965 13.8011 k = 0.5417-0.2165 0.4082 ( 1812 PWs) bands (ev): -70.5145 -70.5145 -40.1451 -40.1447 -38.8850 -38.8846 -38.8813 -38.8813 -1.1789 -1.1714 3.8373 3.8380 6.1821 6.2029 6.2795 6.2848 7.3121 7.3293 8.2199 8.2200 8.2642 8.2829 8.9887 9.0249 9.0633 9.0674 13.7625 13.7673 k = 0.5357-0.2268 0.4082 ( 1812 PWs) bands (ev): -70.5145 -70.5145 -40.1450 -40.1448 -38.8850 -38.8846 -38.8812 -38.8812 -1.1785 -1.1719 3.8213 3.8218 6.2126 6.2308 6.2846 6.2892 7.3195 7.3335 8.2367 8.2426 8.2775 8.3038 8.9683 8.9985 9.0365 9.0449 13.7300 13.7347 k = 0.5298-0.2371 0.4082 ( 1810 PWs) bands (ev): -70.5145 -70.5145 -40.1450 -40.1448 -38.8850 -38.8847 -38.8812 -38.8812 -1.1780 -1.1725 3.8076 3.8081 6.2384 6.2538 6.2891 6.2929 7.3257 7.3369 8.2520 8.2643 8.2922 8.3258 8.9489 8.9757 9.0123 9.0214 13.6999 13.7043 k = 0.5238-0.2474 0.4082 ( 1810 PWs) bands (ev): -70.5145 -70.5145 -40.1450 -40.1448 -38.8850 -38.8847 -38.8812 -38.8812 -1.1776 -1.1732 3.7964 3.7968 6.2596 6.2720 6.2929 6.2960 7.3308 7.3393 8.2654 8.2804 8.3114 8.3470 8.9318 8.9566 8.9909 8.9981 13.6734 13.6773 k = 0.5179-0.2577 0.4082 ( 1798 PWs) bands (ev): -70.5144 -70.5144 -40.1450 -40.1448 -38.8849 -38.8848 -38.8812 -38.8812 -1.1772 -1.1739 3.7877 3.7880 6.2764 6.2856 6.2962 6.2984 7.3349 7.3410 8.2768 8.2900 8.3339 8.3654 8.9184 8.9413 8.9727 8.9765 13.6517 13.6548 k = 0.5119-0.2681 0.4082 ( 1798 PWs) bands (ev): -70.5144 -70.5144 -40.1449 -40.1449 -38.8849 -38.8848 -38.8812 -38.8812 -1.1768 -1.1746 3.7815 3.7817 6.2886 6.2945 6.2989 6.3000 7.3379 7.3419 8.2858 8.2953 8.3553 8.3786 8.9100 8.9289 8.9583 8.9588 13.6356 13.6377 k = 0.5060-0.2784 0.4082 ( 1796 PWs) bands (ev): -70.5144 -70.5144 -40.1449 -40.1449 -38.8849 -38.8848 -38.8812 -38.8812 -1.1763 -1.1752 3.7778 3.7779 6.2962 6.2983 6.3011 6.3014 7.3402 7.3421 8.2923 8.2972 8.3723 8.3847 8.9074 8.9185 8.9478 8.9486 13.6259 13.6270 k = 0.5000-0.2887 0.4082 ( 1804 PWs) bands (ev): -70.5144 -70.5144 -40.1449 -40.1449 -38.8849 -38.8849 -38.8812 -38.8812 -1.1758 -1.1758 3.7766 3.7766 6.2989 6.2989 6.3021 6.3021 7.3414 7.3414 8.2960 8.2960 8.3824 8.3824 8.9106 8.9106 8.9447 8.9447 13.6230 13.6230 Writing output data file MnP.save init_run : 4.07s CPU 13.51s WALL ( 1 calls) electrons : 169.18s CPU 172.97s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.49s CPU 1.46s WALL ( 1 calls) Called by electrons: c_bands : 169.16s CPU 172.76s WALL ( 1 calls) v_of_rho : 0.16s CPU 0.92s WALL ( 1 calls) v_h : 0.06s CPU 0.12s WALL ( 1 calls) v_xc : 0.09s CPU 0.60s WALL ( 1 calls) newd : 0.40s CPU 0.53s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.04s WALL ( 394 calls) cegterg : 146.29s CPU 147.39s WALL ( 492 calls) Called by sum_band: Called by *egterg: h_psi : 79.18s CPU 83.34s WALL ( 8631 calls) s_psi : 3.68s CPU 4.35s WALL ( 8631 calls) g_psi : 0.08s CPU 0.18s WALL ( 7745 calls) cdiaghg : 44.43s CPU 42.96s WALL ( 8139 calls) cegterg:over : 13.01s CPU 11.19s WALL ( 7745 calls) cegterg:upda : 0.57s CPU 1.82s WALL ( 7745 calls) cegterg:last : 0.88s CPU 1.52s WALL ( 1849 calls) Called by h_psi: h_psi:vloc : 70.07s CPU 74.09s WALL ( 8631 calls) h_psi:vnl : 9.06s CPU 8.99s WALL ( 8631 calls) add_vuspsi : 1.34s CPU 3.04s WALL ( 8631 calls) General routines calbec : 7.70s CPU 5.84s WALL ( 8631 calls) fft : 0.34s CPU 1.23s WALL ( 19 calls) ffts : 0.05s CPU 0.05s WALL ( 4 calls) fftw : 64.32s CPU 67.08s WALL ( 642500 calls) interpolate : 0.15s CPU 0.16s WALL ( 4 calls) davcio : 0.02s CPU 0.60s WALL ( 788 calls) Parallel routines fft_scatter : 44.63s CPU 46.96s WALL ( 642523 calls) PWSCF : 3m24.39s CPU 4m24.30s WALL This run was terminated on: 18:14:36 27Aug2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=