Program PWSCF v.5.3.0 (svn rev. 11974) starts on 27Jan2017 at 19:18:19 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Al12W.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 120 72 20 4977 2299 345 Max 121 73 21 4978 2322 348 Sum 4323 2595 727 179185 83239 12479 bravais-lattice index = 14 lattice parameter (alat) = 12.4055 a.u. unit-cell volume = 1469.6898 (a.u.)^3 number of atoms/cell = 13 number of atomic types = 2 number of electrons = 50.00 number of Kohn-Sham states= 60 kinetic-energy cutoff = 56.0000 Ry charge density cutoff = 374.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.405545 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.333333 celldm(5)= -0.333333 celldm(6)= -0.333333 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.333333 0.942809 0.000000 ) a(3) = ( -0.333333 -0.471405 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.353553 0.612372 ) b(2) = ( 0.000000 1.060660 0.612372 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 for W read from file: /users/gautes/Pseudo/W.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 434a31466ac5fb6822520d5f43d3a35f Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1273 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 Al read from file: /users/gautes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential W 14.00 183.84000 W( 1.00) Al 3.00 26.98150 Al( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 201 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0049751 k( 2) = ( 0.0119048 -0.0084179 0.0145803), wk = 0.0049751 k( 3) = ( 0.0238095 -0.0168359 0.0291606), wk = 0.0049751 k( 4) = ( 0.0357143 -0.0252538 0.0437409), wk = 0.0049751 k( 5) = ( 0.0476191 -0.0336718 0.0583212), wk = 0.0049751 k( 6) = ( 0.0595238 -0.0420897 0.0729015), wk = 0.0049751 k( 7) = ( 0.0714286 -0.0505076 0.0874818), wk = 0.0049751 k( 8) = ( 0.0833333 -0.0589256 0.1020621), wk = 0.0049751 k( 9) = ( 0.0952381 -0.0673435 0.1166424), wk = 0.0049751 k( 10) = ( 0.1071429 -0.0757614 0.1312227), wk = 0.0049751 k( 11) = ( 0.1190476 -0.0841794 0.1458030), wk = 0.0049751 k( 12) = ( 0.1309524 -0.0925973 0.1603833), wk = 0.0049751 k( 13) = ( 0.1428571 -0.1010153 0.1749635), wk = 0.0049751 k( 14) = ( 0.1547619 -0.1094332 0.1895438), wk = 0.0049751 k( 15) = ( 0.1666667 -0.1178511 0.2041241), wk = 0.0049751 k( 16) = ( 0.1785714 -0.1262691 0.2187044), wk = 0.0049751 k( 17) = ( 0.1904762 -0.1346870 0.2332847), wk = 0.0049751 k( 18) = ( 0.2023810 -0.1431049 0.2478650), wk = 0.0049751 k( 19) = ( 0.2142857 -0.1515229 0.2624453), wk = 0.0049751 k( 20) = ( 0.2261905 -0.1599408 0.2770256), wk = 0.0049751 k( 21) = ( 0.2380952 -0.1683588 0.2916059), wk = 0.0049751 k( 22) = ( 0.2500000 -0.1767767 0.3061862), wk = 0.0049751 k( 23) = ( 0.2619048 -0.1851946 0.3207665), wk = 0.0049751 k( 24) = ( 0.2738095 -0.1936126 0.3353468), wk = 0.0049751 k( 25) = ( 0.2857143 -0.2020305 0.3499271), wk = 0.0049751 k( 26) = ( 0.2976190 -0.2104484 0.3645074), wk = 0.0049751 k( 27) = ( 0.3095238 -0.2188664 0.3790877), wk = 0.0049751 k( 28) = ( 0.3214286 -0.2272843 0.3936680), wk = 0.0049751 k( 29) = ( 0.3333333 -0.2357023 0.4082483), wk = 0.0049751 k( 30) = ( 0.3452381 -0.2441202 0.4228286), wk = 0.0049751 k( 31) = ( 0.3571429 -0.2525381 0.4374089), wk = 0.0049751 k( 32) = ( 0.3690476 -0.2609561 0.4519892), wk = 0.0049751 k( 33) = ( 0.3809524 -0.2693740 0.4665695), wk = 0.0049751 k( 34) = ( 0.3928571 -0.2777919 0.4811498), wk = 0.0049751 k( 35) = ( 0.4047619 -0.2862099 0.4957301), wk = 0.0049751 k( 36) = ( 0.4166667 -0.2946278 0.5103104), wk = 0.0049751 k( 37) = ( 0.4285714 -0.3030458 0.5248907), wk = 0.0049751 k( 38) = ( 0.4404762 -0.3114637 0.5394710), wk = 0.0049751 k( 39) = ( 0.4523810 -0.3198816 0.5540512), wk = 0.0049751 k( 40) = ( 0.4642857 -0.3282996 0.5686315), wk = 0.0049751 k( 41) = ( 0.4761905 -0.3367175 0.5832118), wk = 0.0049751 k( 42) = ( 0.4880952 -0.3451355 0.5977921), wk = 0.0049751 k( 43) = ( 0.5000000 -0.3535534 0.6123724), wk = 0.0049751 k( 44) = ( 0.5000000 -0.3535534 0.6123724), wk = 0.0049751 k( 45) = ( 0.4833333 -0.3417683 0.6123724), wk = 0.0049751 k( 46) = ( 0.4666667 -0.3299832 0.6123724), wk = 0.0049751 k( 47) = ( 0.4500000 -0.3181981 0.6123724), wk = 0.0049751 k( 48) = ( 0.4333333 -0.3064129 0.6123724), wk = 0.0049751 k( 49) = ( 0.4166667 -0.2946278 0.6123724), wk = 0.0049751 k( 50) = ( 0.4000000 -0.2828427 0.6123724), wk = 0.0049751 k( 51) = ( 0.3833333 -0.2710576 0.6123724), wk = 0.0049751 k( 52) = ( 0.3666667 -0.2592725 0.6123724), wk = 0.0049751 k( 53) = ( 0.3500000 -0.2474874 0.6123724), wk = 0.0049751 k( 54) = ( 0.3333333 -0.2357023 0.6123724), wk = 0.0049751 k( 55) = ( 0.3166667 -0.2239171 0.6123724), wk = 0.0049751 k( 56) = ( 0.3000000 -0.2121320 0.6123724), wk = 0.0049751 k( 57) = ( 0.2833333 -0.2003469 0.6123724), wk = 0.0049751 k( 58) = ( 0.2666667 -0.1885618 0.6123724), wk = 0.0049751 k( 59) = ( 0.2500000 -0.1767767 0.6123724), wk = 0.0049751 k( 60) = ( 0.2333333 -0.1649916 0.6123724), wk = 0.0049751 k( 61) = ( 0.2166667 -0.1532065 0.6123724), wk = 0.0049751 k( 62) = ( 0.2000000 -0.1414214 0.6123724), wk = 0.0049751 k( 63) = ( 0.1833333 -0.1296362 0.6123724), wk = 0.0049751 k( 64) = ( 0.1666667 -0.1178511 0.6123724), wk = 0.0049751 k( 65) = ( 0.1500000 -0.1060660 0.6123724), wk = 0.0049751 k( 66) = ( 0.1333333 -0.0942809 0.6123724), wk = 0.0049751 k( 67) = ( 0.1166667 -0.0824958 0.6123724), wk = 0.0049751 k( 68) = ( 0.1000000 -0.0707107 0.6123724), wk = 0.0049751 k( 69) = ( 0.0833333 -0.0589256 0.6123724), wk = 0.0049751 k( 70) = ( 0.0666667 -0.0471405 0.6123724), wk = 0.0049751 k( 71) = ( 0.0500000 -0.0353553 0.6123724), wk = 0.0049751 k( 72) = ( 0.0333333 -0.0235702 0.6123724), wk = 0.0049751 k( 73) = ( 0.0166667 -0.0117851 0.6123724), wk = 0.0049751 k( 74) = ( 0.0000000 0.0000000 0.6123724), wk = 0.0049751 k( 75) = ( 0.0000000 0.0000000 0.6123724), wk = 0.0049751 k( 76) = ( 0.0000000 0.0000000 0.5919600), wk = 0.0049751 k( 77) = ( 0.0000000 0.0000000 0.5715476), wk = 0.0049751 k( 78) = ( 0.0000000 0.0000000 0.5511352), wk = 0.0049751 k( 79) = ( 0.0000000 0.0000000 0.5307228), wk = 0.0049751 k( 80) = ( 0.0000000 0.0000000 0.5103104), wk = 0.0049751 k( 81) = ( 0.0000000 0.0000000 0.4898979), wk = 0.0049751 k( 82) = ( 0.0000000 0.0000000 0.4694855), wk = 0.0049751 k( 83) = ( 0.0000000 0.0000000 0.4490731), wk = 0.0049751 k( 84) = ( 0.0000000 0.0000000 0.4286607), wk = 0.0049751 k( 85) = ( 0.0000000 0.0000000 0.4082483), wk = 0.0049751 k( 86) = ( 0.0000000 0.0000000 0.3878359), wk = 0.0049751 k( 87) = ( 0.0000000 0.0000000 0.3674235), wk = 0.0049751 k( 88) = ( 0.0000000 0.0000000 0.3470110), wk = 0.0049751 k( 89) = ( 0.0000000 0.0000000 0.3265986), wk = 0.0049751 k( 90) = ( 0.0000000 0.0000000 0.3061862), wk = 0.0049751 k( 91) = ( 0.0000000 0.0000000 0.2857738), wk = 0.0049751 k( 92) = ( 0.0000000 0.0000000 0.2653614), wk = 0.0049751 k( 93) = ( 0.0000000 0.0000000 0.2449490), wk = 0.0049751 k( 94) = ( 0.0000000 0.0000000 0.2245366), wk = 0.0049751 k( 95) = ( 0.0000000 0.0000000 0.2041241), wk = 0.0049751 k( 96) = ( 0.0000000 0.0000000 0.1837117), wk = 0.0049751 k( 97) = ( 0.0000000 0.0000000 0.1632993), wk = 0.0049751 k( 98) = ( 0.0000000 0.0000000 0.1428869), wk = 0.0049751 k( 99) = ( 0.0000000 0.0000000 0.1224745), wk = 0.0049751 k( 100) = ( 0.0000000 0.0000000 0.1020621), wk = 0.0049751 k( 101) = ( 0.0000000 0.0000000 0.0816497), wk = 0.0049751 k( 102) = ( 0.0000000 0.0000000 0.0612372), wk = 0.0049751 k( 103) = ( 0.0000000 0.0000000 0.0408248), wk = 0.0049751 k( 104) = ( 0.0000000 0.0000000 0.0204124), wk = 0.0049751 k( 105) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0049751 k( 106) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0049751 k( 107) = ( 0.0069444 0.0098209 0.0170103), wk = 0.0049751 k( 108) = ( 0.0138889 0.0196419 0.0340207), wk = 0.0049751 k( 109) = ( 0.0208333 0.0294628 0.0510310), wk = 0.0049751 k( 110) = ( 0.0277778 0.0392837 0.0680414), wk = 0.0049751 k( 111) = ( 0.0347222 0.0491046 0.0850517), wk = 0.0049751 k( 112) = ( 0.0416667 0.0589256 0.1020621), wk = 0.0049751 k( 113) = ( 0.0486111 0.0687465 0.1190724), wk = 0.0049751 k( 114) = ( 0.0555556 0.0785674 0.1360828), wk = 0.0049751 k( 115) = ( 0.0625000 0.0883883 0.1530931), wk = 0.0049751 k( 116) = ( 0.0694444 0.0982093 0.1701034), wk = 0.0049751 k( 117) = ( 0.0763889 0.1080302 0.1871138), wk = 0.0049751 k( 118) = ( 0.0833333 0.1178511 0.2041241), wk = 0.0049751 k( 119) = ( 0.0902778 0.1276721 0.2211345), wk = 0.0049751 k( 120) = ( 0.0972222 0.1374930 0.2381448), wk = 0.0049751 k( 121) = ( 0.1041667 0.1473139 0.2551552), wk = 0.0049751 k( 122) = ( 0.1111111 0.1571348 0.2721655), wk = 0.0049751 k( 123) = ( 0.1180556 0.1669558 0.2891759), wk = 0.0049751 k( 124) = ( 0.1250000 0.1767767 0.3061862), wk = 0.0049751 k( 125) = ( 0.1319444 0.1865976 0.3231966), wk = 0.0049751 k( 126) = ( 0.1388889 0.1964186 0.3402069), wk = 0.0049751 k( 127) = ( 0.1458333 0.2062395 0.3572172), wk = 0.0049751 k( 128) = ( 0.1527778 0.2160604 0.3742276), wk = 0.0049751 k( 129) = ( 0.1597222 0.2258813 0.3912379), wk = 0.0049751 k( 130) = ( 0.1666667 0.2357023 0.4082483), wk = 0.0049751 k( 131) = ( 0.1736111 0.2455232 0.4252586), wk = 0.0049751 k( 132) = ( 0.1805556 0.2553441 0.4422690), wk = 0.0049751 k( 133) = ( 0.1875000 0.2651650 0.4592793), wk = 0.0049751 k( 134) = ( 0.1944444 0.2749860 0.4762897), wk = 0.0049751 k( 135) = ( 0.2013889 0.2848069 0.4933000), wk = 0.0049751 k( 136) = ( 0.2083333 0.2946278 0.5103104), wk = 0.0049751 k( 137) = ( 0.2152778 0.3044488 0.5273207), wk = 0.0049751 k( 138) = ( 0.2222222 0.3142697 0.5443310), wk = 0.0049751 k( 139) = ( 0.2291667 0.3240906 0.5613414), wk = 0.0049751 k( 140) = ( 0.2361111 0.3339115 0.5783517), wk = 0.0049751 k( 141) = ( 0.2430556 0.3437325 0.5953621), wk = 0.0049751 k( 142) = ( 0.2500000 0.3535534 0.6123724), wk = 0.0049751 k( 143) = ( 0.2500000 0.3535534 0.6123724), wk = 0.0049751 k( 144) = ( 0.2569444 0.3339115 0.6123724), wk = 0.0049751 k( 145) = ( 0.2638889 0.3142697 0.6123724), wk = 0.0049751 k( 146) = ( 0.2708333 0.2946278 0.6123724), wk = 0.0049751 k( 147) = ( 0.2777778 0.2749860 0.6123724), wk = 0.0049751 k( 148) = ( 0.2847222 0.2553441 0.6123724), wk = 0.0049751 k( 149) = ( 0.2916667 0.2357023 0.6123724), wk = 0.0049751 k( 150) = ( 0.2986111 0.2160604 0.6123724), wk = 0.0049751 k( 151) = ( 0.3055556 0.1964185 0.6123724), wk = 0.0049751 k( 152) = ( 0.3125000 0.1767767 0.6123724), wk = 0.0049751 k( 153) = ( 0.3194444 0.1571348 0.6123724), wk = 0.0049751 k( 154) = ( 0.3263889 0.1374930 0.6123724), wk = 0.0049751 k( 155) = ( 0.3333333 0.1178511 0.6123724), wk = 0.0049751 k( 156) = ( 0.3402778 0.0982093 0.6123724), wk = 0.0049751 k( 157) = ( 0.3472222 0.0785674 0.6123724), wk = 0.0049751 k( 158) = ( 0.3541667 0.0589256 0.6123724), wk = 0.0049751 k( 159) = ( 0.3611111 0.0392837 0.6123724), wk = 0.0049751 k( 160) = ( 0.3680556 0.0196419 0.6123724), wk = 0.0049751 k( 161) = ( 0.3750000 -0.0000000 0.6123724), wk = 0.0049751 k( 162) = ( 0.3819444 -0.0196419 0.6123724), wk = 0.0049751 k( 163) = ( 0.3888889 -0.0392837 0.6123724), wk = 0.0049751 k( 164) = ( 0.3958333 -0.0589256 0.6123724), wk = 0.0049751 k( 165) = ( 0.4027778 -0.0785674 0.6123724), wk = 0.0049751 k( 166) = ( 0.4097222 -0.0982093 0.6123724), wk = 0.0049751 k( 167) = ( 0.4166667 -0.1178511 0.6123724), wk = 0.0049751 k( 168) = ( 0.4236111 -0.1374930 0.6123724), wk = 0.0049751 k( 169) = ( 0.4305556 -0.1571348 0.6123724), wk = 0.0049751 k( 170) = ( 0.4375000 -0.1767767 0.6123724), wk = 0.0049751 k( 171) = ( 0.4444444 -0.1964185 0.6123724), wk = 0.0049751 k( 172) = ( 0.4513889 -0.2160604 0.6123724), wk = 0.0049751 k( 173) = ( 0.4583333 -0.2357023 0.6123724), wk = 0.0049751 k( 174) = ( 0.4652778 -0.2553441 0.6123724), wk = 0.0049751 k( 175) = ( 0.4722222 -0.2749860 0.6123724), wk = 0.0049751 k( 176) = ( 0.4791667 -0.2946278 0.6123724), wk = 0.0049751 k( 177) = ( 0.4861111 -0.3142697 0.6123724), wk = 0.0049751 k( 178) = ( 0.4930556 -0.3339115 0.6123724), wk = 0.0049751 k( 179) = ( 0.5000000 -0.3535534 0.6123724), wk = 0.0049751 k( 180) = ( 0.2500000 0.3535534 0.6123724), wk = 0.0049751 k( 181) = ( 0.2380952 0.3367175 0.6123724), wk = 0.0049751 k( 182) = ( 0.2261905 0.3198816 0.6123724), wk = 0.0049751 k( 183) = ( 0.2142857 0.3030458 0.6123724), wk = 0.0049751 k( 184) = ( 0.2023810 0.2862099 0.6123724), wk = 0.0049751 k( 185) = ( 0.1904762 0.2693740 0.6123724), wk = 0.0049751 k( 186) = ( 0.1785714 0.2525381 0.6123724), wk = 0.0049751 k( 187) = ( 0.1666667 0.2357023 0.6123724), wk = 0.0049751 k( 188) = ( 0.1547619 0.2188664 0.6123724), wk = 0.0049751 k( 189) = ( 0.1428571 0.2020305 0.6123724), wk = 0.0049751 k( 190) = ( 0.1309524 0.1851946 0.6123724), wk = 0.0049751 k( 191) = ( 0.1190476 0.1683588 0.6123724), wk = 0.0049751 k( 192) = ( 0.1071429 0.1515229 0.6123724), wk = 0.0049751 k( 193) = ( 0.0952381 0.1346870 0.6123724), wk = 0.0049751 k( 194) = ( 0.0833333 0.1178511 0.6123724), wk = 0.0049751 k( 195) = ( 0.0714286 0.1010153 0.6123724), wk = 0.0049751 k( 196) = ( 0.0595238 0.0841794 0.6123724), wk = 0.0049751 k( 197) = ( 0.0476191 0.0673435 0.6123724), wk = 0.0049751 k( 198) = ( 0.0357143 0.0505076 0.6123724), wk = 0.0049751 k( 199) = ( 0.0238095 0.0336717 0.6123724), wk = 0.0049751 k( 200) = ( 0.0119048 0.0168359 0.6123724), wk = 0.0049751 k( 201) = ( 0.0000000 0.0000000 0.6123724), wk = 0.0049751 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0049751 k( 2) = ( 0.0119048 -0.0119048 0.0119048), wk = 0.0049751 k( 3) = ( 0.0238095 -0.0238095 0.0238095), wk = 0.0049751 k( 4) = ( 0.0357143 -0.0357143 0.0357143), wk = 0.0049751 k( 5) = ( 0.0476191 -0.0476191 0.0476191), wk = 0.0049751 k( 6) = ( 0.0595238 -0.0595238 0.0595238), wk = 0.0049751 k( 7) = ( 0.0714286 -0.0714286 0.0714286), wk = 0.0049751 k( 8) = ( 0.0833333 -0.0833333 0.0833333), wk = 0.0049751 k( 9) = ( 0.0952381 -0.0952381 0.0952381), wk = 0.0049751 k( 10) = ( 0.1071429 -0.1071429 0.1071429), wk = 0.0049751 k( 11) = ( 0.1190476 -0.1190476 0.1190476), wk = 0.0049751 k( 12) = ( 0.1309524 -0.1309524 0.1309524), wk = 0.0049751 k( 13) = ( 0.1428571 -0.1428571 0.1428571), wk = 0.0049751 k( 14) = ( 0.1547619 -0.1547619 0.1547619), wk = 0.0049751 k( 15) = ( 0.1666667 -0.1666667 0.1666667), wk = 0.0049751 k( 16) = ( 0.1785714 -0.1785714 0.1785714), wk = 0.0049751 k( 17) = ( 0.1904762 -0.1904762 0.1904762), wk = 0.0049751 k( 18) = ( 0.2023810 -0.2023809 0.2023810), wk = 0.0049751 k( 19) = ( 0.2142857 -0.2142857 0.2142857), wk = 0.0049751 k( 20) = ( 0.2261905 -0.2261905 0.2261905), wk = 0.0049751 k( 21) = ( 0.2380952 -0.2380952 0.2380952), wk = 0.0049751 k( 22) = ( 0.2500000 -0.2500000 0.2500000), wk = 0.0049751 k( 23) = ( 0.2619048 -0.2619048 0.2619048), wk = 0.0049751 k( 24) = ( 0.2738095 -0.2738095 0.2738095), wk = 0.0049751 k( 25) = ( 0.2857143 -0.2857143 0.2857143), wk = 0.0049751 k( 26) = ( 0.2976190 -0.2976190 0.2976190), wk = 0.0049751 k( 27) = ( 0.3095238 -0.3095238 0.3095238), wk = 0.0049751 k( 28) = ( 0.3214286 -0.3214286 0.3214286), wk = 0.0049751 k( 29) = ( 0.3333333 -0.3333333 0.3333333), wk = 0.0049751 k( 30) = ( 0.3452381 -0.3452381 0.3452381), wk = 0.0049751 k( 31) = ( 0.3571429 -0.3571429 0.3571429), wk = 0.0049751 k( 32) = ( 0.3690476 -0.3690476 0.3690476), wk = 0.0049751 k( 33) = ( 0.3809524 -0.3809524 0.3809524), wk = 0.0049751 k( 34) = ( 0.3928571 -0.3928571 0.3928571), wk = 0.0049751 k( 35) = ( 0.4047619 -0.4047619 0.4047619), wk = 0.0049751 k( 36) = ( 0.4166667 -0.4166667 0.4166667), wk = 0.0049751 k( 37) = ( 0.4285714 -0.4285714 0.4285714), wk = 0.0049751 k( 38) = ( 0.4404762 -0.4404762 0.4404762), wk = 0.0049751 k( 39) = ( 0.4523810 -0.4523809 0.4523810), wk = 0.0049751 k( 40) = ( 0.4642857 -0.4642857 0.4642857), wk = 0.0049751 k( 41) = ( 0.4761905 -0.4761905 0.4761905), wk = 0.0049751 k( 42) = ( 0.4880952 -0.4880952 0.4880952), wk = 0.0049751 k( 43) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0049751 k( 44) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0049751 k( 45) = ( 0.4833333 -0.4833333 0.5000000), wk = 0.0049751 k( 46) = ( 0.4666667 -0.4666667 0.5000000), wk = 0.0049751 k( 47) = ( 0.4500000 -0.4500000 0.5000000), wk = 0.0049751 k( 48) = ( 0.4333333 -0.4333333 0.5000000), wk = 0.0049751 k( 49) = ( 0.4166667 -0.4166667 0.5000000), wk = 0.0049751 k( 50) = ( 0.4000000 -0.4000000 0.5000000), wk = 0.0049751 k( 51) = ( 0.3833333 -0.3833333 0.5000000), wk = 0.0049751 k( 52) = ( 0.3666667 -0.3666667 0.5000000), wk = 0.0049751 k( 53) = ( 0.3500000 -0.3500000 0.5000000), wk = 0.0049751 k( 54) = ( 0.3333333 -0.3333333 0.5000000), wk = 0.0049751 k( 55) = ( 0.3166667 -0.3166667 0.5000000), wk = 0.0049751 k( 56) = ( 0.3000000 -0.3000000 0.5000000), wk = 0.0049751 k( 57) = ( 0.2833333 -0.2833333 0.5000000), wk = 0.0049751 k( 58) = ( 0.2666667 -0.2666667 0.5000000), wk = 0.0049751 k( 59) = ( 0.2500000 -0.2500000 0.5000000), wk = 0.0049751 k( 60) = ( 0.2333333 -0.2333333 0.5000000), wk = 0.0049751 k( 61) = ( 0.2166667 -0.2166667 0.5000000), wk = 0.0049751 k( 62) = ( 0.2000000 -0.2000000 0.5000000), wk = 0.0049751 k( 63) = ( 0.1833333 -0.1833333 0.5000000), wk = 0.0049751 k( 64) = ( 0.1666667 -0.1666667 0.5000000), wk = 0.0049751 k( 65) = ( 0.1500000 -0.1500000 0.5000000), wk = 0.0049751 k( 66) = ( 0.1333333 -0.1333333 0.5000000), wk = 0.0049751 k( 67) = ( 0.1166667 -0.1166667 0.5000000), wk = 0.0049751 k( 68) = ( 0.1000000 -0.1000000 0.5000000), wk = 0.0049751 k( 69) = ( 0.0833333 -0.0833333 0.5000000), wk = 0.0049751 k( 70) = ( 0.0666667 -0.0666667 0.5000000), wk = 0.0049751 k( 71) = ( 0.0500000 -0.0500000 0.5000000), wk = 0.0049751 k( 72) = ( 0.0333333 -0.0333333 0.5000000), wk = 0.0049751 k( 73) = ( 0.0166667 -0.0166667 0.5000000), wk = 0.0049751 k( 74) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0049751 k( 75) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0049751 k( 76) = ( 0.0000000 0.0000000 0.4833333), wk = 0.0049751 k( 77) = ( 0.0000000 0.0000000 0.4666667), wk = 0.0049751 k( 78) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0049751 k( 79) = ( 0.0000000 0.0000000 0.4333333), wk = 0.0049751 k( 80) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0049751 k( 81) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0049751 k( 82) = ( 0.0000000 0.0000000 0.3833333), wk = 0.0049751 k( 83) = ( 0.0000000 0.0000000 0.3666667), wk = 0.0049751 k( 84) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0049751 k( 85) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0049751 k( 86) = ( 0.0000000 0.0000000 0.3166667), wk = 0.0049751 k( 87) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0049751 k( 88) = ( 0.0000000 0.0000000 0.2833333), wk = 0.0049751 k( 89) = ( 0.0000000 0.0000000 0.2666667), wk = 0.0049751 k( 90) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0049751 k( 91) = ( 0.0000000 0.0000000 0.2333333), wk = 0.0049751 k( 92) = ( 0.0000000 0.0000000 0.2166667), wk = 0.0049751 k( 93) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0049751 k( 94) = ( 0.0000000 0.0000000 0.1833333), wk = 0.0049751 k( 95) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0049751 k( 96) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0049751 k( 97) = ( 0.0000000 0.0000000 0.1333333), wk = 0.0049751 k( 98) = ( 0.0000000 0.0000000 0.1166667), wk = 0.0049751 k( 99) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0049751 k( 100) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0049751 k( 101) = ( 0.0000000 0.0000000 0.0666667), wk = 0.0049751 k( 102) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0049751 k( 103) = ( 0.0000000 0.0000000 0.0333333), wk = 0.0049751 k( 104) = ( 0.0000000 0.0000000 0.0166667), wk = 0.0049751 k( 105) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0049751 k( 106) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0049751 k( 107) = ( 0.0069444 0.0069444 0.0069444), wk = 0.0049751 k( 108) = ( 0.0138889 0.0138889 0.0138889), wk = 0.0049751 k( 109) = ( 0.0208333 0.0208333 0.0208333), wk = 0.0049751 k( 110) = ( 0.0277778 0.0277778 0.0277778), wk = 0.0049751 k( 111) = ( 0.0347222 0.0347222 0.0347222), wk = 0.0049751 k( 112) = ( 0.0416667 0.0416667 0.0416667), wk = 0.0049751 k( 113) = ( 0.0486111 0.0486111 0.0486111), wk = 0.0049751 k( 114) = ( 0.0555556 0.0555556 0.0555556), wk = 0.0049751 k( 115) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0049751 k( 116) = ( 0.0694444 0.0694444 0.0694444), wk = 0.0049751 k( 117) = ( 0.0763889 0.0763889 0.0763889), wk = 0.0049751 k( 118) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0049751 k( 119) = ( 0.0902778 0.0902778 0.0902778), wk = 0.0049751 k( 120) = ( 0.0972222 0.0972222 0.0972222), wk = 0.0049751 k( 121) = ( 0.1041667 0.1041667 0.1041667), wk = 0.0049751 k( 122) = ( 0.1111111 0.1111111 0.1111111), wk = 0.0049751 k( 123) = ( 0.1180556 0.1180556 0.1180556), wk = 0.0049751 k( 124) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0049751 k( 125) = ( 0.1319444 0.1319444 0.1319444), wk = 0.0049751 k( 126) = ( 0.1388889 0.1388889 0.1388889), wk = 0.0049751 k( 127) = ( 0.1458333 0.1458333 0.1458333), wk = 0.0049751 k( 128) = ( 0.1527778 0.1527778 0.1527778), wk = 0.0049751 k( 129) = ( 0.1597222 0.1597222 0.1597222), wk = 0.0049751 k( 130) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0049751 k( 131) = ( 0.1736111 0.1736111 0.1736111), wk = 0.0049751 k( 132) = ( 0.1805556 0.1805556 0.1805556), wk = 0.0049751 k( 133) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0049751 k( 134) = ( 0.1944444 0.1944444 0.1944444), wk = 0.0049751 k( 135) = ( 0.2013889 0.2013889 0.2013889), wk = 0.0049751 k( 136) = ( 0.2083333 0.2083333 0.2083333), wk = 0.0049751 k( 137) = ( 0.2152778 0.2152778 0.2152778), wk = 0.0049751 k( 138) = ( 0.2222222 0.2222222 0.2222222), wk = 0.0049751 k( 139) = ( 0.2291667 0.2291667 0.2291667), wk = 0.0049751 k( 140) = ( 0.2361111 0.2361111 0.2361111), wk = 0.0049751 k( 141) = ( 0.2430556 0.2430556 0.2430556), wk = 0.0049751 k( 142) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0049751 k( 143) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0049751 k( 144) = ( 0.2569444 0.2291667 0.2569444), wk = 0.0049751 k( 145) = ( 0.2638889 0.2083333 0.2638889), wk = 0.0049751 k( 146) = ( 0.2708333 0.1875000 0.2708333), wk = 0.0049751 k( 147) = ( 0.2777778 0.1666667 0.2777778), wk = 0.0049751 k( 148) = ( 0.2847222 0.1458333 0.2847222), wk = 0.0049751 k( 149) = ( 0.2916667 0.1250000 0.2916667), wk = 0.0049751 k( 150) = ( 0.2986111 0.1041667 0.2986111), wk = 0.0049751 k( 151) = ( 0.3055556 0.0833333 0.3055556), wk = 0.0049751 k( 152) = ( 0.3125000 0.0625000 0.3125000), wk = 0.0049751 k( 153) = ( 0.3194444 0.0416667 0.3194444), wk = 0.0049751 k( 154) = ( 0.3263889 0.0208333 0.3263889), wk = 0.0049751 k( 155) = ( 0.3333333 0.0000000 0.3333333), wk = 0.0049751 k( 156) = ( 0.3402778 -0.0208333 0.3402778), wk = 0.0049751 k( 157) = ( 0.3472222 -0.0416667 0.3472222), wk = 0.0049751 k( 158) = ( 0.3541667 -0.0625000 0.3541667), wk = 0.0049751 k( 159) = ( 0.3611111 -0.0833333 0.3611111), wk = 0.0049751 k( 160) = ( 0.3680556 -0.1041667 0.3680556), wk = 0.0049751 k( 161) = ( 0.3750000 -0.1250000 0.3750000), wk = 0.0049751 k( 162) = ( 0.3819444 -0.1458333 0.3819444), wk = 0.0049751 k( 163) = ( 0.3888889 -0.1666667 0.3888889), wk = 0.0049751 k( 164) = ( 0.3958333 -0.1875000 0.3958333), wk = 0.0049751 k( 165) = ( 0.4027778 -0.2083333 0.4027778), wk = 0.0049751 k( 166) = ( 0.4097222 -0.2291667 0.4097222), wk = 0.0049751 k( 167) = ( 0.4166667 -0.2500000 0.4166667), wk = 0.0049751 k( 168) = ( 0.4236111 -0.2708333 0.4236111), wk = 0.0049751 k( 169) = ( 0.4305556 -0.2916667 0.4305556), wk = 0.0049751 k( 170) = ( 0.4375000 -0.3125000 0.4375000), wk = 0.0049751 k( 171) = ( 0.4444444 -0.3333333 0.4444444), wk = 0.0049751 k( 172) = ( 0.4513889 -0.3541667 0.4513889), wk = 0.0049751 k( 173) = ( 0.4583333 -0.3750000 0.4583333), wk = 0.0049751 k( 174) = ( 0.4652778 -0.3958333 0.4652778), wk = 0.0049751 k( 175) = ( 0.4722222 -0.4166667 0.4722222), wk = 0.0049751 k( 176) = ( 0.4791667 -0.4375000 0.4791667), wk = 0.0049751 k( 177) = ( 0.4861111 -0.4583333 0.4861111), wk = 0.0049751 k( 178) = ( 0.4930556 -0.4791667 0.4930556), wk = 0.0049751 k( 179) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0049751 k( 180) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0049751 k( 181) = ( 0.2380952 0.2380952 0.2619048), wk = 0.0049751 k( 182) = ( 0.2261905 0.2261905 0.2738095), wk = 0.0049751 k( 183) = ( 0.2142857 0.2142857 0.2857143), wk = 0.0049751 k( 184) = ( 0.2023810 0.2023809 0.2976190), wk = 0.0049751 k( 185) = ( 0.1904762 0.1904762 0.3095238), wk = 0.0049751 k( 186) = ( 0.1785714 0.1785714 0.3214286), wk = 0.0049751 k( 187) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0049751 k( 188) = ( 0.1547619 0.1547619 0.3452381), wk = 0.0049751 k( 189) = ( 0.1428571 0.1428571 0.3571429), wk = 0.0049751 k( 190) = ( 0.1309524 0.1309524 0.3690476), wk = 0.0049751 k( 191) = ( 0.1190476 0.1190476 0.3809524), wk = 0.0049751 k( 192) = ( 0.1071429 0.1071429 0.3928571), wk = 0.0049751 k( 193) = ( 0.0952381 0.0952381 0.4047619), wk = 0.0049751 k( 194) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0049751 k( 195) = ( 0.0714286 0.0714286 0.4285714), wk = 0.0049751 k( 196) = ( 0.0595238 0.0595238 0.4404762), wk = 0.0049751 k( 197) = ( 0.0476191 0.0476190 0.4523810), wk = 0.0049751 k( 198) = ( 0.0357143 0.0357143 0.4642857), wk = 0.0049751 k( 199) = ( 0.0238095 0.0238095 0.4761905), wk = 0.0049751 k( 200) = ( 0.0119048 0.0119048 0.4880952), wk = 0.0049751 k( 201) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0049751 Dense grid: 179185 G-vectors FFT dimensions: ( 80, 80, 80) Smooth grid: 83239 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.53 Mb ( 578, 60) NL pseudopotentials 1.95 Mb ( 289, 442) Each V/rho on FFT grid 0.29 Mb ( 19200) Each G-vector array 0.04 Mb ( 4978) G-vector shells 0.01 Mb ( 748) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.12 Mb ( 578, 240) Each subspace H/S matrix 0.05 Mb ( 60, 60) Each matrix 0.81 Mb ( 442, 2, 60) The potential is recalculated from file : ./Al12W.save/charge-density.dat Starting wfc are 122 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.8 secs Computing kpt #: 2 total cpu time spent up to now is 5.5 secs Computing kpt #: 3 total cpu time spent up to now is 7.0 secs Computing kpt #: 4 total cpu time spent up to now is 8.5 secs Computing kpt #: 5 total cpu time spent up to now is 10.0 secs Computing kpt #: 6 total cpu time spent up to now is 11.4 secs Computing kpt #: 7 total cpu time spent up to now is 14.2 secs Computing kpt #: 8 total cpu time spent up to now is 17.3 secs Computing kpt #: 9 total cpu time spent up to now is 19.5 secs Computing kpt #: 10 total cpu time spent up to now is 21.5 secs Computing kpt #: 11 total cpu time spent up to now is 23.5 secs Computing kpt #: 12 total cpu time spent up to now is 25.8 secs Computing kpt #: 13 total cpu time spent up to now is 27.8 secs Computing kpt #: 14 total cpu time spent up to now is 29.6 secs Computing kpt #: 15 total cpu time spent up to now is 31.5 secs Computing kpt #: 16 total cpu time spent up to now is 33.5 secs Computing kpt #: 17 total cpu time spent up to now is 35.5 secs Computing kpt #: 18 total cpu time spent up to now is 37.5 secs Computing kpt #: 19 total cpu time spent up to now is 39.5 secs Computing kpt #: 20 total cpu time spent up to now is 41.5 secs Computing kpt #: 21 total cpu time spent up to now is 43.4 secs Computing kpt #: 22 total cpu time spent up to now is 45.6 secs Computing kpt #: 23 total cpu time spent up to now is 47.6 secs Computing kpt #: 24 total cpu time spent up to now is 50.0 secs Computing kpt #: 25 total cpu time spent up to now is 53.3 secs Computing kpt #: 26 total cpu time spent up to now is 56.1 secs Computing kpt #: 27 total cpu time spent up to now is 57.8 secs Computing kpt #: 28 total cpu time spent up to now is 59.4 secs Computing kpt #: 29 total cpu time spent up to now is 61.0 secs Computing kpt #: 30 total cpu time spent up to now is 62.9 secs Computing kpt #: 31 total cpu time spent up to now is 64.9 secs Computing kpt #: 32 total cpu time spent up to now is 67.1 secs Computing kpt #: 33 total cpu time spent up to now is 69.2 secs Computing kpt #: 34 total cpu time spent up to now is 71.3 secs Computing kpt #: 35 total cpu time spent up to now is 73.4 secs Computing kpt #: 36 total cpu time spent up to now is 75.2 secs Computing kpt #: 37 total cpu time spent up to now is 76.9 secs Computing kpt #: 38 total cpu time spent up to now is 78.6 secs Computing kpt #: 39 total cpu time spent up to now is 80.3 secs Computing kpt #: 40 total cpu time spent up to now is 82.3 secs Computing kpt #: 41 total cpu time spent up to now is 84.6 secs Computing kpt #: 42 total cpu time spent up to now is 86.7 secs Computing kpt #: 43 total cpu time spent up to now is 88.6 secs Computing kpt #: 44 total cpu time spent up to now is 90.4 secs Computing kpt #: 45 total cpu time spent up to now is 92.4 secs Computing kpt #: 46 total cpu time spent up to now is 94.1 secs Computing kpt #: 47 total cpu time spent up to now is 95.8 secs Computing kpt #: 48 total cpu time spent up to now is 97.9 secs Computing kpt #: 49 total cpu time spent up to now is 100.4 secs Computing kpt #: 50 total cpu time spent up to now is 102.5 secs Computing kpt #: 51 total cpu time spent up to now is 104.7 secs Computing kpt #: 52 total cpu time spent up to now is 106.8 secs Computing kpt #: 53 total cpu time spent up to now is 108.6 secs Computing kpt #: 54 total cpu time spent up to now is 110.4 secs Computing kpt #: 55 total cpu time spent up to now is 112.1 secs Computing kpt #: 56 total cpu time spent up to now is 113.7 secs Computing kpt #: 57 total cpu time spent up to now is 115.4 secs Computing kpt #: 58 total cpu time spent up to now is 117.0 secs Computing kpt #: 59 total cpu time spent up to now is 118.7 secs Computing kpt #: 60 total cpu time spent up to now is 120.4 secs Computing kpt #: 61 total cpu time spent up to now is 122.0 secs Computing kpt #: 62 total cpu time spent up to now is 123.6 secs Computing kpt #: 63 total cpu time spent up to now is 125.2 secs Computing kpt #: 64 total cpu time spent up to now is 126.8 secs Computing kpt #: 65 total cpu time spent up to now is 128.4 secs Computing kpt #: 66 total cpu time spent up to now is 129.9 secs Computing kpt #: 67 total cpu time spent up to now is 131.4 secs Computing kpt #: 68 total cpu time spent up to now is 132.7 secs Computing kpt #: 69 total cpu time spent up to now is 134.0 secs Computing kpt #: 70 total cpu time spent up to now is 135.3 secs Computing kpt #: 71 total cpu time spent up to now is 136.5 secs Computing kpt #: 72 total cpu time spent up to now is 138.0 secs Computing kpt #: 73 total cpu time spent up to now is 139.2 secs Computing kpt #: 74 total cpu time spent up to now is 140.4 secs Computing kpt #: 75 total cpu time spent up to now is 141.7 secs Computing kpt #: 76 total cpu time spent up to now is 142.9 secs Computing kpt #: 77 total cpu time spent up to now is 144.1 secs Computing kpt #: 78 total cpu time spent up to now is 145.4 secs Computing kpt #: 79 total cpu time spent up to now is 146.6 secs Computing kpt #: 80 total cpu time spent up to now is 147.9 secs Computing kpt #: 81 total cpu time spent up to now is 149.1 secs Computing kpt #: 82 total cpu time spent up to now is 150.3 secs Computing kpt #: 83 total cpu time spent up to now is 151.5 secs Computing kpt #: 84 total cpu time spent up to now is 152.8 secs Computing kpt #: 85 total cpu time spent up to now is 154.0 secs Computing kpt #: 86 total cpu time spent up to now is 155.2 secs Computing kpt #: 87 total cpu time spent up to now is 156.4 secs Computing kpt #: 88 total cpu time spent up to now is 157.6 secs Computing kpt #: 89 total cpu time spent up to now is 158.9 secs Computing kpt #: 90 total cpu time spent up to now is 160.1 secs Computing kpt #: 91 total cpu time spent up to now is 161.4 secs Computing kpt #: 92 total cpu time spent up to now is 162.6 secs Computing kpt #: 93 total cpu time spent up to now is 163.9 secs Computing kpt #: 94 total cpu time spent up to now is 165.2 secs Computing kpt #: 95 total cpu time spent up to now is 166.4 secs Computing kpt #: 96 total cpu time spent up to now is 167.7 secs Computing kpt #: 97 total cpu time spent up to now is 169.0 secs Computing kpt #: 98 total cpu time spent up to now is 170.5 secs Computing kpt #: 99 total cpu time spent up to now is 172.0 secs Computing kpt #: 100 total cpu time spent up to now is 173.6 secs Computing kpt #: 101 total cpu time spent up to now is 175.6 secs Computing kpt #: 102 total cpu time spent up to now is 177.1 secs Computing kpt #: 103 total cpu time spent up to now is 178.7 secs Computing kpt #: 104 total cpu time spent up to now is 180.2 secs Computing kpt #: 105 total cpu time spent up to now is 181.4 secs Computing kpt #: 106 total cpu time spent up to now is 182.7 secs Computing kpt #: 107 total cpu time spent up to now is 184.0 secs Computing kpt #: 108 total cpu time spent up to now is 185.5 secs Computing kpt #: 109 total cpu time spent up to now is 187.0 secs Computing kpt #: 110 total cpu time spent up to now is 188.5 secs Computing kpt #: 111 total cpu time spent up to now is 189.9 secs Computing kpt #: 112 total cpu time spent up to now is 191.4 secs Computing kpt #: 113 total cpu time spent up to now is 192.7 secs Computing kpt #: 114 total cpu time spent up to now is 194.0 secs Computing kpt #: 115 total cpu time spent up to now is 195.2 secs Computing kpt #: 116 total cpu time spent up to now is 196.5 secs Computing kpt #: 117 total cpu time spent up to now is 197.7 secs Computing kpt #: 118 total cpu time spent up to now is 199.2 secs Computing kpt #: 119 total cpu time spent up to now is 200.8 secs Computing kpt #: 120 total cpu time spent up to now is 202.4 secs Computing kpt #: 121 total cpu time spent up to now is 204.1 secs Computing kpt #: 122 total cpu time spent up to now is 205.8 secs Computing kpt #: 123 total cpu time spent up to now is 207.8 secs Computing kpt #: 124 total cpu time spent up to now is 209.9 secs Computing kpt #: 125 total cpu time spent up to now is 211.9 secs Computing kpt #: 126 total cpu time spent up to now is 213.9 secs Computing kpt #: 127 total cpu time spent up to now is 216.0 secs Computing kpt #: 128 total cpu time spent up to now is 218.0 secs Computing kpt #: 129 total cpu time spent up to now is 220.0 secs Computing kpt #: 130 total cpu time spent up to now is 222.0 secs Computing kpt #: 131 total cpu time spent up to now is 224.1 secs Computing kpt #: 132 total cpu time spent up to now is 226.2 secs Computing kpt #: 133 total cpu time spent up to now is 228.3 secs Computing kpt #: 134 total cpu time spent up to now is 230.5 secs Computing kpt #: 135 total cpu time spent up to now is 233.1 secs Computing kpt #: 136 total cpu time spent up to now is 235.3 secs Computing kpt #: 137 total cpu time spent up to now is 237.5 secs Computing kpt #: 138 total cpu time spent up to now is 239.7 secs Computing kpt #: 139 total cpu time spent up to now is 241.8 secs Computing kpt #: 140 total cpu time spent up to now is 243.8 secs Computing kpt #: 141 total cpu time spent up to now is 245.8 secs Computing kpt #: 142 total cpu time spent up to now is 247.8 secs Computing kpt #: 143 total cpu time spent up to now is 249.9 secs Computing kpt #: 144 total cpu time spent up to now is 252.1 secs Computing kpt #: 145 total cpu time spent up to now is 254.1 secs Computing kpt #: 146 total cpu time spent up to now is 256.1 secs Computing kpt #: 147 total cpu time spent up to now is 258.1 secs Computing kpt #: 148 total cpu time spent up to now is 260.2 secs Computing kpt #: 149 total cpu time spent up to now is 262.2 secs Computing kpt #: 150 total cpu time spent up to now is 264.3 secs Computing kpt #: 151 total cpu time spent up to now is 266.4 secs Computing kpt #: 152 total cpu time spent up to now is 268.0 secs Computing kpt #: 153 total cpu time spent up to now is 270.1 secs Computing kpt #: 154 total cpu time spent up to now is 271.7 secs Computing kpt #: 155 total cpu time spent up to now is 273.5 secs Computing kpt #: 156 total cpu time spent up to now is 275.2 secs Computing kpt #: 157 total cpu time spent up to now is 276.9 secs Computing kpt #: 158 total cpu time spent up to now is 278.5 secs Computing kpt #: 159 total cpu time spent up to now is 280.3 secs Computing kpt #: 160 total cpu time spent up to now is 282.1 secs Computing kpt #: 161 total cpu time spent up to now is 284.2 secs Computing kpt #: 162 total cpu time spent up to now is 286.4 secs Computing kpt #: 163 total cpu time spent up to now is 288.5 secs Computing kpt #: 164 total cpu time spent up to now is 290.5 secs Computing kpt #: 165 total cpu time spent up to now is 292.5 secs Computing kpt #: 166 total cpu time spent up to now is 294.5 secs Computing kpt #: 167 total cpu time spent up to now is 296.3 secs Computing kpt #: 168 total cpu time spent up to now is 298.3 secs Computing kpt #: 169 total cpu time spent up to now is 300.1 secs Computing kpt #: 170 total cpu time spent up to now is 301.9 secs Computing kpt #: 171 total cpu time spent up to now is 303.7 secs Computing kpt #: 172 total cpu time spent up to now is 305.5 secs Computing kpt #: 173 total cpu time spent up to now is 307.3 secs Computing kpt #: 174 total cpu time spent up to now is 308.9 secs Computing kpt #: 175 total cpu time spent up to now is 310.6 secs Computing kpt #: 176 total cpu time spent up to now is 312.3 secs Computing kpt #: 177 total cpu time spent up to now is 314.2 secs Computing kpt #: 178 total cpu time spent up to now is 316.2 secs Computing kpt #: 179 total cpu time spent up to now is 318.0 secs Computing kpt #: 180 total cpu time spent up to now is 320.1 secs Computing kpt #: 181 total cpu time spent up to now is 322.1 secs Computing kpt #: 182 total cpu time spent up to now is 324.1 secs Computing kpt #: 183 total cpu time spent up to now is 326.1 secs Computing kpt #: 184 total cpu time spent up to now is 328.0 secs Computing kpt #: 185 total cpu time spent up to now is 329.8 secs Computing kpt #: 186 total cpu time spent up to now is 331.8 secs Computing kpt #: 187 total cpu time spent up to now is 333.9 secs Computing kpt #: 188 total cpu time spent up to now is 336.0 secs Computing kpt #: 189 total cpu time spent up to now is 338.1 secs Computing kpt #: 190 total cpu time spent up to now is 340.4 secs Computing kpt #: 191 total cpu time spent up to now is 342.4 secs Computing kpt #: 192 total cpu time spent up to now is 344.2 secs Computing kpt #: 193 total cpu time spent up to now is 345.7 secs Computing kpt #: 194 total cpu time spent up to now is 347.2 secs Computing kpt #: 195 total cpu time spent up to now is 348.6 secs Computing kpt #: 196 total cpu time spent up to now is 349.9 secs Computing kpt #: 197 total cpu time spent up to now is 351.1 secs Computing kpt #: 198 total cpu time spent up to now is 352.4 secs Computing kpt #: 199 total cpu time spent up to now is 353.7 secs Computing kpt #: 200 total cpu time spent up to now is 354.9 secs Computing kpt #: 201 total cpu time spent up to now is 356.1 secs ethr = 2.00E-08, avg # of iterations = 35.8 total cpu time spent up to now is 356.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 10425 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -2.1893 -2.1893 2.3240 2.3240 2.3240 2.3240 2.3431 2.3431 2.7052 2.7052 2.9611 2.9611 2.9611 2.9611 2.9616 2.9616 2.9711 2.9711 2.9711 2.9711 3.2072 3.2072 3.2073 3.2073 3.5712 3.5712 6.3086 6.3086 6.3086 6.3086 7.5920 7.5920 7.7023 7.7023 7.7023 7.7023 7.8073 7.8073 7.8073 7.8073 8.0627 8.0627 8.7612 8.7612 10.8761 10.8761 10.8761 10.8761 11.5296 11.5296 11.5296 11.5296 k = 0.0119-0.0084 0.0146 ( 10425 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -2.1878 -2.1878 2.3038 2.3038 2.3150 2.3150 2.3364 2.3364 2.7081 2.7081 2.9190 2.9190 2.9534 2.9534 2.9666 2.9666 2.9751 2.9751 2.9863 2.9863 3.2160 3.2160 3.2527 3.2527 3.5892 3.5892 6.2979 6.2979 6.3097 6.3097 7.5849 7.5849 7.6961 7.6961 7.6977 7.6977 7.8090 7.8090 7.8139 7.8139 8.0639 8.0639 8.7786 8.7786 10.8730 10.8730 10.8739 10.8739 11.4960 11.4960 11.5236 11.5236 k = 0.0238-0.0168 0.0292 ( 10397 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -2.1833 -2.1833 2.2514 2.2514 2.2727 2.2727 2.3369 2.3369 2.7028 2.7028 2.8320 2.8320 2.9211 2.9211 2.9706 2.9706 3.0152 3.0152 3.0380 3.0380 3.2346 3.2346 3.3466 3.3466 3.6398 3.6398 6.2659 6.2659 6.3130 6.3130 7.5656 7.5656 7.6797 7.6797 7.6863 7.6863 7.8129 7.8129 7.8303 7.8303 8.0677 8.0677 8.8277 8.8277 10.8641 10.8641 10.8673 10.8673 11.4008 11.4008 11.5059 11.5059 k = 0.0357-0.0253 0.0437 ( 10377 PWs) bands (ev): -64.5197 -64.5197 -35.9865 -35.9865 -26.2763 -26.2763 -26.2763 -26.2763 -2.1758 -2.1758 2.1805 2.1805 2.2088 2.2088 2.3430 2.3430 2.6683 2.6683 2.7344 2.7344 2.8981 2.8981 2.9765 2.9765 3.0806 3.0806 3.1139 3.1139 3.2544 3.2544 3.4556 3.4556 3.7147 3.7147 6.2133 6.2133 6.3186 6.3186 7.5383 7.5383 7.6573 7.6573 7.6723 7.6723 7.8163 7.8163 7.8517 7.8517 8.0747 8.0747 8.9016 8.9016 10.8508 10.8508 10.8572 10.8572 11.2683 11.2683 11.4774 11.4774 k = 0.0476-0.0337 0.0583 ( 10381 PWs) bands (ev): -64.5197 -64.5197 -35.9865 -35.9865 -26.2763 -26.2763 -26.2763 -26.2763 -2.1652 -2.1652 2.1005 2.1005 2.1340 2.1340 2.3522 2.3522 2.6036 2.6036 2.6347 2.6347 2.8921 2.8921 2.9846 2.9846 3.1649 3.1649 3.2049 3.2049 3.2739 3.2739 3.5711 3.5711 3.8057 3.8057 6.1412 6.1412 6.3264 6.3264 7.5082 7.5082 7.6327 7.6327 7.6575 7.6575 7.8169 7.8169 7.8751 7.8751 8.0857 8.0857 8.9917 8.9917 10.8340 10.8340 10.8457 10.8457 11.1164 11.1164 11.4395 11.4395 k = 0.0595-0.0421 0.0729 ( 10381 PWs) bands (ev): -64.5197 -64.5197 -35.9865 -35.9865 -26.2763 -26.2763 -26.2763 -26.2763 -2.1517 -2.1517 2.0163 2.0163 2.0537 2.0537 2.3642 2.3642 2.5216 2.5216 2.5356 2.5356 2.8967 2.8967 2.9949 2.9949 3.2581 3.2581 3.2973 3.2973 3.3060 3.3060 3.6906 3.6906 3.9065 3.9065 6.0517 6.0517 6.3364 6.3364 7.4788 7.4788 7.6080 7.6080 7.6432 7.6432 7.8127 7.8127 7.8992 7.8992 8.1013 8.1013 9.0898 9.0898 10.8134 10.8134 10.8363 10.8363 10.9546 10.9546 11.3939 11.3939 k = 0.0714-0.0505 0.0875 ( 10377 PWs) bands (ev): -64.5197 -64.5197 -35.9865 -35.9865 -26.2763 -26.2763 -26.2763 -26.2763 -2.1352 -2.1352 1.9306 1.9306 1.9711 1.9711 2.3784 2.3784 2.4317 2.4317 2.4385 2.4385 2.9069 2.9069 3.0074 3.0074 3.3071 3.3071 3.3747 3.3747 3.4138 3.4138 3.8128 3.8128 4.0129 4.0129 5.9475 5.9475 6.3488 6.3488 7.4519 7.4519 7.5849 7.5849 7.6300 7.6300 7.8029 7.8029 7.9233 7.9233 8.1214 8.1214 9.1890 9.1890 10.7817 10.7817 10.7949 10.7949 10.8333 10.8333 11.3413 11.3413 k = 0.0833-0.0589 0.1021 ( 10393 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -2.1156 -2.1156 1.8448 1.8448 1.8877 1.8877 2.3384 2.3384 2.3405 2.3405 2.3981 2.3981 2.9207 2.9207 3.0222 3.0222 3.3306 3.3306 3.4852 3.4852 3.5269 3.5269 3.9373 3.9373 4.1219 4.1219 5.8319 5.8319 6.3636 6.3636 7.4272 7.4272 7.5643 7.5643 7.6187 7.6187 7.7874 7.7874 7.9469 7.9469 8.1452 8.1452 9.2829 9.2829 10.6173 10.6173 10.7620 10.7620 10.8396 10.8396 11.2358 11.2358 k = 0.0952-0.0673 0.1166 ( 10381 PWs) bands (ev): -64.5197 -64.5197 -35.9865 -35.9865 -26.2763 -26.2763 -26.2763 -26.2763 -2.0931 -2.0931 1.7598 1.7598 1.8047 1.8047 2.2441 2.2441 2.2474 2.2474 2.4177 2.4177 2.9375 2.9375 3.0393 3.0393 3.3547 3.3547 3.6016 3.6016 3.6440 3.6440 4.0636 4.0636 4.2313 4.2313 5.7084 5.7084 6.3808 6.3808 7.4037 7.4037 7.5467 7.5467 7.6105 7.6105 7.7667 7.7667 7.9697 7.9697 8.1719 8.1719 9.3663 9.3663 10.4473 10.4473 10.7306 10.7306 10.8578 10.8578 11.1152 11.1152 k = 0.1071-0.0758 0.1312 ( 10385 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -2.0675 -2.0675 1.6761 1.6761 1.7227 1.7227 2.1500 2.1500 2.1562 2.1562 2.4406 2.4406 2.9568 2.9568 3.0587 3.0587 3.3807 3.3807 3.7219 3.7219 3.7646 3.7646 4.1911 4.1911 4.3382 4.3382 5.5813 5.5813 6.4005 6.4005 7.3797 7.3797 7.5319 7.5319 7.6066 7.6066 7.7415 7.7415 7.9915 7.9915 8.2006 8.2006 9.4356 9.4356 10.2777 10.2777 10.6960 10.6960 10.8880 10.8880 10.9984 10.9984 k = 0.1190-0.0842 0.1458 ( 10393 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -2.0390 -2.0390 1.5940 1.5940 1.6420 1.6420 2.0568 2.0568 2.0672 2.0672 2.4663 2.4663 2.9785 2.9785 3.0802 3.0802 3.4087 3.4087 3.8451 3.8451 3.8880 3.8880 4.3190 4.3190 4.4390 4.4390 5.4562 5.4562 6.4229 6.4229 7.3542 7.3542 7.5187 7.5187 7.6083 7.6083 7.7126 7.7126 8.0119 8.0119 8.2305 8.2305 9.4886 9.4886 10.1097 10.1097 10.6581 10.6581 10.8811 10.8811 10.9336 10.9336 k = 0.1310-0.0926 0.1604 ( 10401 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -2.0075 -2.0075 1.5138 1.5138 1.5631 1.5631 1.9650 1.9650 1.9807 1.9807 2.4947 2.4947 3.0026 3.0026 3.1040 3.1040 3.4386 3.4386 3.9708 3.9708 4.0140 4.0140 4.4444 4.4444 4.5287 4.5287 5.3421 5.3421 6.4481 6.4481 7.3267 7.3267 7.5056 7.5056 7.6155 7.6155 7.6817 7.6817 8.0305 8.0305 8.2608 8.2608 9.5254 9.5254 9.9439 9.9439 10.6162 10.6162 10.7766 10.7766 10.9329 10.9329 k = 0.1429-0.1010 0.1750 ( 10377 PWs) bands (ev): -64.5197 -64.5197 -35.9865 -35.9865 -26.2763 -26.2763 -26.2763 -26.2763 -1.9730 -1.9730 1.4356 1.4356 1.4861 1.4861 1.8750 1.8750 1.8968 1.8968 2.5258 2.5258 3.0290 3.0290 3.1300 3.1300 3.4701 3.4701 4.0984 4.0984 4.1421 4.1421 4.5465 4.5465 4.6136 4.6136 5.2541 5.2541 6.4762 6.4762 7.2970 7.2970 7.4910 7.4910 7.6208 7.6208 7.6576 7.6576 8.0469 8.0469 8.2909 8.2909 9.5475 9.5475 9.7809 9.7809 10.5689 10.5689 10.6785 10.6785 10.8302 10.8302 k = 0.1548-0.1094 0.1895 ( 10385 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -1.9356 -1.9356 1.3596 1.3596 1.4112 1.4112 1.7870 1.7870 1.8154 1.8154 2.5595 2.5595 3.0577 3.0577 3.1582 3.1582 3.5027 3.5027 4.2274 4.2274 4.2723 4.2723 4.5697 4.5697 4.7287 4.7287 5.2136 5.2136 6.5076 6.5076 7.2652 7.2652 7.4735 7.4735 7.5982 7.5982 7.6670 7.6670 8.0609 8.0609 8.3204 8.3204 9.5576 9.5576 9.6215 9.6215 10.5128 10.5128 10.5925 10.5925 10.7320 10.7320 k = 0.1667-0.1179 0.2041 ( 10409 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -1.8952 -1.8952 1.2858 1.2858 1.3384 1.3384 1.7012 1.7012 1.7366 1.7366 2.5960 2.5960 3.0886 3.0886 3.1886 3.1886 3.5354 3.5354 4.3569 4.3569 4.4042 4.4042 4.5231 4.5231 4.8565 4.8565 5.2304 5.2304 6.5426 6.5426 7.2314 7.2314 7.4508 7.4508 7.5648 7.5648 7.6944 7.6944 8.0723 8.0723 8.3487 8.3487 9.4659 9.4659 9.5589 9.5589 10.4457 10.4457 10.5211 10.5211 10.6419 10.6419 k = 0.1786-0.1263 0.2187 ( 10401 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -1.8518 -1.8518 1.2143 1.2143 1.2679 1.2679 1.6178 1.6178 1.6604 1.6604 2.6351 2.6351 3.1217 3.1217 3.2211 3.2211 3.5664 3.5664 4.4258 4.4258 4.4939 4.4939 4.5380 4.5380 4.9859 4.9859 5.2899 5.2899 6.5814 6.5814 7.1956 7.1956 7.4198 7.4198 7.5333 7.5333 7.7291 7.7291 8.0808 8.0808 8.3755 8.3755 9.3152 9.3152 9.5537 9.5537 10.3735 10.3735 10.4584 10.4584 10.5609 10.5609 k = 0.1905-0.1347 0.2333 ( 10393 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -1.8055 -1.8055 1.1453 1.1453 1.1997 1.1997 1.5368 1.5368 1.5869 1.5869 2.6769 2.6769 3.1569 3.1569 3.2557 3.2557 3.5923 3.5923 4.3201 4.3201 4.6217 4.6217 4.6727 4.6727 5.1146 5.1146 5.3720 5.3720 6.6244 6.6244 7.1577 7.1577 7.3787 7.3787 7.5068 7.5068 7.7694 7.7694 8.0866 8.0866 8.4006 8.4006 9.1698 9.1698 9.5446 9.5446 10.3034 10.3034 10.3968 10.3968 10.4893 10.4893 k = 0.2024-0.1431 0.2479 ( 10401 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -1.7563 -1.7563 1.0786 1.0786 1.1338 1.1338 1.4584 1.4584 1.5161 1.5161 2.7214 2.7214 3.1942 3.1942 3.2925 3.2925 3.6062 3.6062 4.2126 4.2126 4.7521 4.7521 4.8086 4.8086 5.2414 5.2414 5.4641 5.4641 6.6722 6.6722 7.1180 7.1180 7.3279 7.3279 7.4847 7.4847 7.8142 7.8142 8.0902 8.0902 8.4239 8.4239 9.0301 9.0301 9.5336 9.5336 10.2378 10.2378 10.3331 10.3331 10.4274 10.4274 k = 0.2143-0.1515 0.2624 ( 10401 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -1.7041 -1.7041 1.0145 1.0145 1.0704 1.0704 1.3826 1.3826 1.4479 1.4479 2.7684 2.7684 3.2335 3.2335 3.3313 3.3313 3.5963 3.5963 4.1248 4.1248 4.8815 4.8815 4.9452 4.9452 5.3652 5.3652 5.5598 5.5598 6.7249 6.7249 7.0763 7.0763 7.2693 7.2693 7.4651 7.4651 7.8627 7.8627 8.0921 8.0921 8.4453 8.4453 8.8968 8.8968 9.5222 9.5222 10.1755 10.1755 10.2677 10.2677 10.3757 10.3757 k = 0.2262-0.1599 0.2770 ( 10397 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -1.6491 -1.6491 0.9528 0.9528 1.0094 1.0094 1.3096 1.3096 1.3824 1.3824 2.8181 2.8181 3.2744 3.2744 3.3721 3.3721 3.5483 3.5483 4.0745 4.0745 5.0090 5.0090 5.0819 5.0819 5.4849 5.4849 5.6557 5.6557 6.7824 6.7824 7.0334 7.0334 7.2047 7.2047 7.4464 7.4464 7.9136 7.9136 8.0937 8.0937 8.4650 8.4650 8.7705 8.7705 9.5116 9.5116 10.1106 10.1106 10.2062 10.2062 10.3347 10.3347 k = 0.2381-0.1684 0.2916 ( 10397 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -1.5911 -1.5911 0.8936 0.8936 0.9509 0.9509 1.2393 1.2393 1.3197 1.3197 2.8704 2.8704 3.3154 3.3154 3.4149 3.4149 3.4612 3.4612 4.0661 4.0661 5.1335 5.1335 5.2181 5.2181 5.5995 5.5995 5.7496 5.7496 6.8421 6.8421 6.9910 6.9910 7.1363 7.1363 7.4279 7.4279 7.9650 7.9650 8.0971 8.0971 8.4832 8.4832 8.6517 8.6517 9.5029 9.5029 10.0360 10.0360 10.1569 10.1569 10.3041 10.3041 k = 0.2500-0.1768 0.3062 ( 10381 PWs) bands (ev): -64.5197 -64.5197 -35.9865 -35.9865 -26.2763 -26.2763 -26.2763 -26.2763 -1.5303 -1.5303 0.8370 0.8370 0.8949 0.8949 1.1718 1.1718 1.2596 1.2596 2.9253 2.9253 3.3201 3.3201 3.3837 3.3837 3.4597 3.4597 4.0886 4.0886 5.2537 5.2537 5.3529 5.3529 5.7079 5.7079 5.8403 5.8403 6.8861 6.8861 6.9598 6.9598 7.0728 7.0728 7.4093 7.4093 8.0129 8.0129 8.1061 8.1061 8.5001 8.5001 8.5410 8.5410 9.4967 9.4967 9.9523 9.9523 10.1221 10.1221 10.2833 10.2833 k = 0.2619-0.1852 0.3208 ( 10393 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -1.4665 -1.4665 0.7829 0.7829 0.8414 0.8414 1.1073 1.1073 1.2024 1.2024 2.9828 2.9828 3.1987 3.1987 3.4182 3.4182 3.5063 3.5063 4.1297 4.1297 5.3683 5.3683 5.4850 5.4850 5.8094 5.8094 5.9269 5.9269 6.8675 6.8675 6.9373 6.9373 7.0647 7.0647 7.3910 7.3910 8.0499 8.0499 8.1276 8.1276 8.4376 8.4376 8.5175 8.5175 9.4938 9.4938 9.8661 9.8661 10.0990 10.0990 10.2711 10.2711 k = 0.2738-0.1936 0.3353 ( 10381 PWs) bands (ev): -64.5197 -64.5197 -35.9865 -35.9865 -26.2763 -26.2763 -26.2763 -26.2763 -1.4000 -1.4000 0.7314 0.7314 0.7904 0.7904 1.0456 1.0456 1.1478 1.1478 3.0429 3.0429 3.0576 3.0576 3.4662 3.4662 3.5548 3.5548 4.1821 4.1821 5.4753 5.4753 5.6122 5.6122 5.9033 5.9033 6.0087 6.0087 6.8162 6.8162 6.8747 6.8747 7.1324 7.1324 7.3742 7.3742 8.0733 8.0733 8.1635 8.1635 8.3432 8.3432 8.5344 8.5344 9.4944 9.4944 9.7847 9.7847 10.0849 10.0849 10.2660 10.2660 k = 0.2857-0.2020 0.3499 ( 10385 PWs) bands (ev): -64.5197 -64.5197 -35.9865 -35.9865 -26.2763 -26.2763 -26.2763 -26.2763 -1.3306 -1.3306 0.6825 0.6825 0.7420 0.7420 0.9869 0.9869 1.0960 1.0960 2.9113 2.9113 3.1054 3.1054 3.5170 3.5170 3.6050 3.6050 4.2421 4.2421 5.5726 5.5726 5.7317 5.7317 5.9895 5.9895 6.0854 6.0854 6.7438 6.7438 6.8162 6.8162 7.2205 7.2205 7.3612 7.3612 8.0919 8.0919 8.2030 8.2030 8.2578 8.2578 8.5522 8.5522 9.4993 9.4993 9.7144 9.7144 10.0779 10.0779 10.2658 10.2658 k = 0.2976-0.2104 0.3645 ( 10381 PWs) bands (ev): -64.5197 -64.5197 -35.9865 -35.9865 -26.2763 -26.2763 -26.2763 -26.2763 -1.2584 -1.2584 0.6362 0.6362 0.6962 0.6962 0.9312 0.9312 1.0470 1.0470 2.7629 2.7629 3.1705 3.1705 3.5699 3.5699 3.6568 3.6568 4.3075 4.3075 5.6581 5.6581 5.8390 5.8390 6.0680 6.0680 6.1564 6.1564 6.6537 6.6537 6.7753 6.7753 7.3056 7.3056 7.3626 7.3626 8.1110 8.1110 8.1802 8.1802 8.2410 8.2410 8.5717 8.5717 9.5091 9.5091 9.6609 9.6609 10.0765 10.0765 10.2515 10.2515 k = 0.3095-0.2189 0.3791 ( 10381 PWs) bands (ev): -64.5197 -64.5197 -35.9865 -35.9865 -26.2763 -26.2763 -26.2763 -26.2763 -1.1834 -1.1834 0.5925 0.5925 0.6529 0.6529 0.8785 0.8785 1.0007 1.0007 2.6137 2.6137 3.2381 3.2381 3.6246 3.6246 3.7102 3.7102 4.3771 4.3771 5.7292 5.7292 5.9282 5.9282 6.1383 6.1383 6.2212 6.2212 6.5556 6.5556 6.7523 6.7523 7.3323 7.3323 7.4287 7.4287 8.0968 8.0968 8.1518 8.1518 8.2706 8.2706 8.5936 8.5936 9.5256 9.5256 9.6276 9.6276 10.0795 10.0795 10.2110 10.2110 k = 0.3214-0.2273 0.3937 ( 10385 PWs) bands (ev): -64.5197 -64.5197 -35.9865 -35.9865 -26.2763 -26.2763 -26.2763 -26.2763 -1.1056 -1.1056 0.5514 0.5514 0.6122 0.6122 0.8288 0.8288 0.9572 0.9572 2.4648 2.4648 3.3081 3.3081 3.6808 3.6808 3.7650 3.7650 4.4502 4.4502 5.7840 5.7840 5.9928 5.9928 6.1974 6.1974 6.2785 6.2785 6.4560 6.4560 6.7528 6.7528 7.3388 7.3388 7.5148 7.5148 8.0371 8.0371 8.1838 8.1838 8.2975 8.2975 8.6190 8.6190 9.5520 9.5520 9.6148 9.6148 10.0856 10.0856 10.1723 10.1723 k = 0.3333-0.2357 0.4082 ( 10401 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -1.0251 -1.0251 0.5130 0.5130 0.5741 0.5741 0.7821 0.7821 0.9165 0.9165 2.3167 2.3167 3.3804 3.3804 3.7385 3.7385 3.8211 3.8211 4.5262 4.5262 5.8211 5.8211 6.0277 6.0277 6.2323 6.2323 6.3276 6.3276 6.3689 6.3689 6.7829 6.7829 7.3509 7.3509 7.5846 7.5846 7.9802 7.9802 8.2294 8.2294 8.3304 8.3304 8.6490 8.6490 9.5918 9.5918 9.6189 9.6189 10.0937 10.0937 10.1358 10.1358 k = 0.3452-0.2441 0.4228 ( 10405 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -0.9419 -0.9419 0.4772 0.4772 0.5386 0.5386 0.7386 0.7386 0.8786 0.8786 2.1697 2.1697 3.4551 3.4551 3.7973 3.7973 3.8783 3.8783 4.6045 4.6045 5.8400 5.8400 6.0312 6.0312 6.1935 6.1935 6.3460 6.3460 6.3701 6.3701 6.8418 6.8418 7.3704 7.3704 7.6236 7.6236 7.9288 7.9288 8.2866 8.2866 8.3827 8.3827 8.6850 8.6850 9.6353 9.6353 9.6468 9.6468 10.1006 10.1006 10.1042 10.1042 k = 0.3571-0.2525 0.4374 ( 10397 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -0.8560 -0.8560 0.4440 0.4440 0.5057 0.5057 0.6981 0.6981 0.8434 0.8434 2.0243 2.0243 3.5321 3.5321 3.8572 3.8572 3.9363 3.9363 4.6848 4.6848 5.8414 5.8414 6.0045 6.0045 6.1028 6.1028 6.3718 6.3718 6.4076 6.4076 6.9217 6.9217 7.3958 7.3958 7.6248 7.6248 7.8829 7.8829 8.3559 8.3559 8.4641 8.4641 8.7279 8.7279 9.6605 9.6605 9.7155 9.7155 10.0700 10.0700 10.1128 10.1128 k = 0.3690-0.2610 0.4520 ( 10405 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -0.7674 -0.7674 0.4135 0.4135 0.4754 0.4754 0.6607 0.6607 0.8111 0.8111 1.8807 1.8807 3.6112 3.6112 3.9177 3.9177 3.9948 3.9948 4.7664 4.7664 5.8269 5.8269 5.9429 5.9429 6.0180 6.0180 6.4032 6.4032 6.4412 6.4412 7.0128 7.0128 7.4242 7.4242 7.5924 7.5924 7.8423 7.8423 8.4379 8.4379 8.5743 8.5743 8.7787 8.7787 9.6922 9.6922 9.7942 9.7942 10.0409 10.0409 10.1231 10.1231 k = 0.3810-0.2694 0.4666 ( 10389 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -0.6763 -0.6763 0.3857 0.3857 0.4478 0.4478 0.6264 0.6264 0.7816 0.7816 1.7390 1.7390 3.6924 3.6924 3.9787 3.9787 4.0537 4.0537 4.8489 4.8489 5.7977 5.7977 5.8484 5.8484 5.9534 5.9534 6.4334 6.4334 6.4709 6.4709 7.1073 7.1073 7.4487 7.4487 7.5404 7.5404 7.8067 7.8067 8.5326 8.5326 8.7068 8.7068 8.8384 8.8384 9.7290 9.7290 9.8773 9.8773 10.0142 10.0142 10.1351 10.1351 k = 0.3929-0.2778 0.4811 ( 10393 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -0.5828 -0.5828 0.3605 0.3605 0.4227 0.4227 0.5951 0.5951 0.7548 0.7548 1.5996 1.5996 3.7754 3.7754 4.0396 4.0396 4.1123 4.1123 4.9315 4.9315 5.7322 5.7322 5.7676 5.7676 5.8942 5.8942 6.4611 6.4611 6.4967 6.4967 7.1996 7.1996 7.4316 7.4316 7.5139 7.5139 7.7760 7.7760 8.6399 8.6399 8.8542 8.8542 8.9084 8.9084 9.7696 9.7696 9.9565 9.9565 9.9901 9.9901 10.1524 10.1524 k = 0.4048-0.2862 0.4957 ( 10381 PWs) bands (ev): -64.5197 -64.5197 -35.9865 -35.9865 -26.2763 -26.2763 -26.2763 -26.2763 -0.4868 -0.4868 0.3380 0.3380 0.4003 0.4003 0.5668 0.5668 0.7309 0.7309 1.4627 1.4627 3.8601 3.8601 4.0999 4.0999 4.1701 4.1701 5.0133 5.0133 5.6240 5.6240 5.7194 5.7194 5.8354 5.8354 6.4861 6.4861 6.5189 6.5189 7.2828 7.2828 7.3616 7.3616 7.5330 7.5330 7.7498 7.7498 8.7588 8.7588 8.9851 8.9851 9.0149 9.0149 9.8131 9.8131 9.9684 9.9684 10.0185 10.0185 10.1493 10.1493 k = 0.4167-0.2946 0.5103 ( 10377 PWs) bands (ev): -64.5197 -64.5197 -35.9865 -35.9865 -26.2763 -26.2763 -26.2763 -26.2763 -0.3886 -0.3886 0.3182 0.3182 0.3805 0.3805 0.5415 0.5415 0.7098 0.7098 1.3286 1.3286 3.9461 3.9461 4.1589 4.1589 4.2265 4.2265 5.0929 5.0929 5.5133 5.5133 5.6696 5.6696 5.7772 5.7772 6.5081 6.5081 6.5374 6.5374 7.2647 7.2647 7.3730 7.3730 7.5572 7.5572 7.7284 7.7284 8.8881 8.8881 9.0772 9.0772 9.1767 9.1767 9.8585 9.8585 9.9492 9.9492 10.0514 10.0514 10.1297 10.1297 k = 0.4286-0.3030 0.5249 ( 10369 PWs) bands (ev): -64.5197 -64.5197 -35.9865 -35.9865 -26.2763 -26.2763 -26.2763 -26.2763 -0.2883 -0.2883 0.3011 0.3011 0.3634 0.3634 0.5188 0.5188 0.6915 0.6915 1.1977 1.1977 4.0329 4.0329 4.2156 4.2156 4.2806 4.2806 5.1686 5.1686 5.4038 5.4038 5.6195 5.6195 5.7211 5.7211 6.5271 6.5271 6.5524 6.5524 7.1803 7.1803 7.4397 7.4397 7.5788 7.5788 7.7120 7.7120 9.0262 9.0262 9.1790 9.1790 9.3413 9.3413 9.9042 9.9042 9.9326 9.9326 10.0593 10.0593 10.1171 10.1171 k = 0.4405-0.3115 0.5395 ( 10365 PWs) bands (ev): -64.5197 -64.5197 -35.9865 -35.9865 -26.2763 -26.2763 -26.2763 -26.2763 -0.1864 -0.1864 0.2867 0.2867 0.3489 0.3489 0.4984 0.4984 0.6760 0.6760 1.0707 1.0707 4.1195 4.1195 4.2689 4.2689 4.3312 4.3312 5.2372 5.2372 5.2970 5.2970 5.5728 5.5728 5.6684 5.6684 6.5432 6.5432 6.5640 6.5640 7.0978 7.0978 7.4969 7.4969 7.5959 7.5959 7.7014 7.7014 9.1714 9.1714 9.2910 9.2910 9.5031 9.5031 9.9185 9.9185 9.9481 9.9481 10.0540 10.0540 10.1120 10.1120 k = 0.4524-0.3199 0.5541 ( 10357 PWs) bands (ev): -64.5197 -64.5197 -35.9865 -35.9865 -26.2763 -26.2763 -26.2763 -26.2763 -0.0835 -0.0835 0.2753 0.2753 0.3370 0.3370 0.4796 0.4796 0.6633 0.6633 0.9492 0.9492 4.2045 4.2045 4.3170 4.3170 4.3773 4.3773 5.1945 5.1945 5.2942 5.2942 5.5347 5.5347 5.6210 5.6210 6.5564 6.5564 6.5722 6.5722 7.0229 7.0229 7.5423 7.5423 7.6071 7.6071 7.6975 7.6975 9.3217 9.3217 9.4124 9.4124 9.6553 9.6553 9.9070 9.9070 9.9852 9.9852 10.0481 10.0481 10.1115 10.1115 k = 0.4643-0.3283 0.5686 ( 10365 PWs) bands (ev): -64.5197 -64.5197 -35.9865 -35.9865 -26.2763 -26.2763 -26.2763 -26.2763 0.0192 0.0192 0.2672 0.2672 0.3277 0.3277 0.4603 0.4603 0.6534 0.6534 0.8358 0.8358 4.2846 4.2846 4.3581 4.3581 4.4175 4.4175 5.0992 5.0992 5.3320 5.3320 5.5127 5.5127 5.5807 5.5807 6.5666 6.5666 6.5771 6.5771 6.9594 6.9594 7.5756 7.5756 7.6126 7.6126 7.7000 7.7000 9.4749 9.4749 9.5413 9.5413 9.7875 9.7875 9.8981 9.8981 10.0025 10.0025 10.0546 10.0546 10.1153 10.1153 k = 0.4762-0.3367 0.5832 ( 10342 PWs) bands (ev): -64.5197 -64.5197 -35.9865 -35.9865 -26.2763 -26.2763 -26.2763 -26.2763 0.1180 0.1180 0.2641 0.2641 0.3211 0.3211 0.4360 0.4360 0.6464 0.6464 0.7372 0.7372 4.3538 4.3538 4.3899 4.3899 4.4513 4.4513 5.0160 5.0160 5.3460 5.3460 5.5109 5.5109 5.5499 5.5499 6.5739 6.5739 6.5794 6.5794 6.9112 6.9112 7.5976 7.5976 7.6140 7.6140 7.7058 7.7058 9.6284 9.6284 9.6743 9.6743 9.8858 9.8858 9.8917 9.8917 9.9998 9.9998 10.0610 10.0610 10.1227 10.1227 k = 0.4881-0.3451 0.5978 ( 10358 PWs) bands (ev): -64.5197 -64.5197 -35.9865 -35.9865 -26.2763 -26.2763 -26.2763 -26.2763 0.1981 0.1981 0.2763 0.2763 0.3172 0.3172 0.3981 0.3981 0.6421 0.6421 0.6665 0.6665 4.4010 4.4010 4.4102 4.4102 4.4779 4.4779 4.9550 4.9550 5.3455 5.3455 5.5192 5.5192 5.5303 5.5303 6.5783 6.5783 6.5798 6.5798 6.8812 6.8812 7.6099 7.6099 7.6140 7.6140 7.7112 7.7112 9.7770 9.7770 9.8035 9.8035 9.8878 9.8878 9.9423 9.9423 9.9869 9.9869 10.0319 10.0319 10.0942 10.0942 k = 0.5000-0.3536 0.6124 ( 10390 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 0.2228 0.2228 0.3158 0.3158 0.3158 0.3158 0.3542 0.3542 0.6407 0.6407 0.6407 0.6407 4.4172 4.4172 4.4172 4.4172 4.4896 4.4896 4.9316 4.9316 5.3437 5.3437 5.5236 5.5236 5.5237 5.5237 6.5797 6.5797 6.5798 6.5798 6.8710 6.8710 7.6138 7.6138 7.6138 7.6138 7.7133 7.7133 9.8843 9.8843 9.8843 9.8843 9.8909 9.8909 9.9595 9.9595 9.9595 9.9595 9.9602 9.9602 10.0638 10.0638 k = 0.5000-0.3536 0.6124 ( 10390 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 0.2228 0.2228 0.3158 0.3158 0.3158 0.3158 0.3542 0.3542 0.6407 0.6407 0.6407 0.6407 4.4172 4.4172 4.4172 4.4172 4.4896 4.4896 4.9316 4.9316 5.3437 5.3437 5.5236 5.5236 5.5237 5.5237 6.5797 6.5797 6.5798 6.5798 6.8710 6.8710 7.6138 7.6138 7.6138 7.6138 7.7133 7.7133 9.8843 9.8843 9.8843 9.8843 9.8909 9.8909 9.9595 9.9595 9.9595 9.9595 9.9602 9.9602 10.0638 10.0638 k = 0.4833-0.3418 0.6124 ( 10352 PWs) bands (ev): -64.5197 -64.5197 -35.9865 -35.9865 -26.2763 -26.2763 -26.2763 -26.2763 0.2031 0.2031 0.2738 0.2738 0.3093 0.3093 0.4041 0.4041 0.6483 0.6483 0.6596 0.6596 4.3961 4.3961 4.4145 4.4145 4.4795 4.4795 4.9540 4.9540 5.3458 5.3458 5.5216 5.5216 5.5277 5.5277 6.5787 6.5787 6.5795 6.5795 6.8809 6.8809 7.6104 7.6104 7.6135 7.6135 7.7112 7.7112 9.7863 9.7863 9.8139 9.8139 9.8491 9.8491 9.9543 9.9543 10.0014 10.0014 10.0311 10.0311 10.0925 10.0925 k = 0.4667-0.3300 0.6124 ( 10346 PWs) bands (ev): -64.5197 -64.5197 -35.9865 -35.9865 -26.2763 -26.2763 -26.2763 -26.2763 0.1476 0.1476 0.2265 0.2265 0.3018 0.3018 0.4641 0.4641 0.6736 0.6736 0.7085 0.7085 4.3325 4.3325 4.4033 4.4033 4.4658 4.4658 5.0076 5.0076 5.3515 5.3515 5.5162 5.5162 5.5412 5.5412 6.5753 6.5753 6.5787 6.5787 6.9099 6.9099 7.6005 7.6005 7.6122 7.6122 7.7055 7.7055 9.6333 9.6333 9.7140 9.7140 9.7695 9.7695 9.9339 9.9339 10.0092 10.0092 10.1234 10.1234 10.1275 10.1275 k = 0.4500-0.3182 0.6124 ( 10354 PWs) bands (ev): -64.5197 -64.5197 -35.9865 -35.9865 -26.2763 -26.2763 -26.2763 -26.2763 0.0783 0.0783 0.1735 0.1735 0.3024 0.3024 0.5119 0.5119 0.7206 0.7206 0.7753 0.7753 4.2404 4.2404 4.3771 4.3771 4.4609 4.4609 5.0702 5.0702 5.3592 5.3592 5.5091 5.5091 5.5681 5.5681 6.5694 6.5694 6.5773 6.5773 6.9554 6.9554 7.5844 7.5844 7.6083 7.6083 7.6980 7.6980 9.4660 9.4660 9.6128 9.6128 9.6784 9.6784 9.8912 9.8912 9.9995 9.9995 10.1141 10.1141 10.2208 10.2208 k = 0.4333-0.3064 0.6124 ( 10376 PWs) bands (ev): -64.5197 -64.5197 -35.9865 -35.9865 -26.2763 -26.2763 -26.2763 -26.2763 0.0066 0.0066 0.1154 0.1154 0.3089 0.3089 0.5464 0.5464 0.7885 0.7885 0.8525 0.8525 4.1342 4.1342 4.3352 4.3352 4.4634 4.4634 5.1277 5.1277 5.3663 5.3663 5.5023 5.5023 5.6132 5.6132 6.5607 6.5607 6.5752 6.5752 7.0135 7.0135 7.5629 7.5629 7.5992 7.5992 7.6919 7.6919 9.2920 9.2920 9.5123 9.5123 9.5859 9.5859 9.8267 9.8267 9.9828 9.9828 10.0802 10.0802 10.3090 10.3090 k = 0.4167-0.2946 0.6124 ( 10376 PWs) bands (ev): -64.5197 -64.5197 -35.9865 -35.9865 -26.2763 -26.2763 -26.2763 -26.2763 -0.0645 -0.0645 0.0553 0.0553 0.3192 0.3192 0.5730 0.5730 0.8708 0.8708 0.9365 0.9365 4.0212 4.0212 4.2800 4.2800 4.4704 4.4704 5.1748 5.1748 5.3710 5.3710 5.4971 5.4971 5.6779 5.6779 6.5490 6.5490 6.5723 6.5723 7.0789 7.0789 7.5374 7.5374 7.5825 7.5825 7.6903 7.6903 9.1156 9.1156 9.4133 9.4133 9.4961 9.4961 9.7467 9.7467 9.9547 9.9547 10.0359 10.0359 10.3439 10.3439 k = 0.4000-0.2828 0.6124 ( 10384 PWs) bands (ev): -64.5197 -64.5197 -35.9865 -35.9865 -26.2763 -26.2763 -26.2763 -26.2763 -0.1340 -0.1340 -0.0048 -0.0048 0.3328 0.3328 0.5968 0.5968 0.9619 0.9619 1.0255 1.0255 3.9047 3.9047 4.2134 4.2134 4.4805 4.4805 5.2121 5.2121 5.3739 5.3739 5.4938 5.4938 5.7590 5.7590 6.5342 6.5342 6.5684 6.5684 7.1441 7.1441 7.5102 7.5102 7.5594 7.5594 7.6938 7.6938 8.9399 8.9399 9.3164 9.3164 9.4111 9.4111 9.6574 9.6574 9.9102 9.9102 9.9901 9.9901 10.3447 10.3447 k = 0.3833-0.2711 0.6124 ( 10384 PWs) bands (ev): -64.5197 -64.5197 -35.9865 -35.9865 -26.2763 -26.2763 -26.2763 -26.2763 -0.2014 -0.2014 -0.0638 -0.0638 0.3492 0.3492 0.6205 0.6205 1.0589 1.0589 1.1185 1.1185 3.7866 3.7866 4.1372 4.1372 4.4931 4.4931 5.2425 5.2425 5.3762 5.3762 5.4920 5.4920 5.8509 5.8509 6.5162 6.5162 6.5632 6.5632 7.1982 7.1982 7.4835 7.4835 7.5360 7.5360 7.7016 7.7016 8.7681 8.7681 9.2220 9.2220 9.3322 9.3322 9.5628 9.5628 9.8537 9.8537 9.9425 9.9425 10.3344 10.3344 k = 0.3667-0.2593 0.6124 ( 10382 PWs) bands (ev): -64.5197 -64.5197 -35.9865 -35.9865 -26.2763 -26.2763 -26.2763 -26.2763 -0.2664 -0.2664 -0.1212 -0.1212 0.3684 0.3684 0.6455 0.6455 1.1601 1.1601 1.2152 1.2152 3.6680 3.6680 4.0530 4.0530 4.5078 4.5078 5.2690 5.2690 5.3793 5.3793 5.4912 5.4912 5.9479 5.9479 6.4951 6.4951 6.5564 6.5564 7.2266 7.2266 7.4534 7.4534 7.5277 7.5277 7.7126 7.7126 8.6040 8.6040 9.1309 9.1309 9.2603 9.2603 9.4661 9.4661 9.7931 9.7931 9.8887 9.8887 10.3086 10.3086 k = 0.3500-0.2475 0.6124 ( 10392 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -0.3289 -0.3289 -0.1767 -0.1767 0.3903 0.3903 0.6725 0.6725 1.2647 1.2647 1.3151 1.3151 3.5496 3.5496 3.9622 3.9622 4.5246 4.5246 5.2934 5.2934 5.3840 5.3840 5.4909 5.4909 6.0454 6.0454 6.4709 6.4709 6.5476 6.5476 7.2220 7.2220 7.4138 7.4138 7.5431 7.5431 7.7258 7.7258 8.4528 8.4528 9.0437 9.0437 9.1962 9.1962 9.3691 9.3691 9.7337 9.7337 9.8283 9.8283 10.2725 10.2725 k = 0.3333-0.2357 0.6124 ( 10396 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -0.3888 -0.3888 -0.2301 -0.2301 0.4148 0.4148 0.7018 0.7018 1.3723 1.3723 1.4181 1.4181 3.4318 3.4318 3.8663 3.8663 4.5432 4.5432 5.3166 5.3166 5.3904 5.3904 5.4910 5.4910 6.1388 6.1388 6.4447 6.4447 6.5363 6.5363 7.1930 7.1930 7.3666 7.3666 7.5637 7.5637 7.7404 7.7404 8.3230 8.3230 8.9608 8.9608 9.1402 9.1402 9.2731 9.2731 9.6786 9.6786 9.7636 9.7636 10.2337 10.2337 k = 0.3167-0.2239 0.6124 ( 10388 PWs) bands (ev): -64.5197 -64.5197 -35.9865 -35.9865 -26.2763 -26.2763 -26.2763 -26.2763 -0.4459 -0.4459 -0.2812 -0.2812 0.4420 0.4420 0.7336 0.7336 1.4823 1.4823 1.5240 1.5240 3.3151 3.3151 3.7664 3.7664 4.5637 4.5637 5.3391 5.3391 5.3985 5.3985 5.4910 5.4910 6.2213 6.2213 6.4204 6.4204 6.5218 6.5218 7.1514 7.1514 7.3145 7.3145 7.5636 7.5636 7.7558 7.7558 8.2264 8.2264 8.8828 8.8828 9.0928 9.0928 9.1789 9.1789 9.6295 9.6295 9.6984 9.6984 10.1968 10.1968 k = 0.3000-0.2121 0.6124 ( 10378 PWs) bands (ev): -64.5197 -64.5197 -35.9865 -35.9865 -26.2763 -26.2763 -26.2763 -26.2763 -0.5004 -0.5004 -0.3299 -0.3299 0.4717 0.4717 0.7681 0.7681 1.5945 1.5945 1.6329 1.6329 3.1996 3.1996 3.6635 3.6635 4.5858 4.5858 5.3598 5.3598 5.4084 5.4084 5.4906 5.4906 6.2746 6.2746 6.4137 6.4137 6.5036 6.5036 7.1047 7.1047 7.2591 7.2591 7.5255 7.5255 7.7721 7.7721 8.1711 8.1711 8.8099 8.8099 9.0516 9.0516 9.0894 9.0894 9.5876 9.5876 9.6375 9.6375 10.1649 10.1649 k = 0.2833-0.2003 0.6124 ( 10410 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -0.5520 -0.5520 -0.3761 -0.3761 0.5041 0.5041 0.8052 0.8052 1.7087 1.7087 1.7447 1.7447 3.0856 3.0856 3.5587 3.5587 4.6095 4.6095 5.3764 5.3764 5.4213 5.4213 5.4898 5.4898 6.2739 6.2739 6.4441 6.4441 6.4839 6.4839 7.0571 7.0571 7.2015 7.2015 7.4508 7.4508 7.7900 7.7900 8.1501 8.1501 8.7425 8.7425 8.9854 8.9854 9.0361 9.0361 9.5495 9.5495 9.5886 9.5886 10.1399 10.1399 k = 0.2667-0.1886 0.6124 ( 10408 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -0.6008 -0.6008 -0.4198 -0.4198 0.5390 0.5390 0.8451 0.8451 1.8247 1.8247 1.8593 1.8593 2.9732 2.9732 3.4526 3.4526 4.6347 4.6347 5.3852 5.3852 5.4376 5.4376 5.4889 5.4889 6.2412 6.2412 6.4422 6.4422 6.5081 6.5081 7.0111 7.0111 7.1427 7.1427 7.3553 7.3553 7.8097 7.8097 8.1449 8.1449 8.6803 8.6803 8.8976 8.8976 9.0161 9.0161 9.5070 9.5070 9.5627 9.5627 10.1235 10.1235 k = 0.2500-0.1768 0.6124 ( 10388 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -0.6468 -0.6468 -0.4610 -0.4610 0.5765 0.5765 0.8876 0.8876 1.9423 1.9423 1.9767 1.9767 2.8625 2.8625 3.3458 3.3458 4.6611 4.6611 5.3848 5.3848 5.4511 5.4511 5.4922 5.4922 6.1991 6.1991 6.4053 6.4053 6.5551 6.5551 6.9679 6.9679 7.0844 7.0844 7.2544 7.2544 7.8312 7.8312 8.1396 8.1396 8.6235 8.6235 8.8107 8.8107 9.0074 9.0074 9.4637 9.4637 9.5559 9.5559 10.1175 10.1175 k = 0.2333-0.1650 0.6124 ( 10402 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -0.6899 -0.6899 -0.4996 -0.4996 0.6166 0.6166 0.9330 0.9330 2.0613 2.0613 2.0967 2.0967 2.7538 2.7538 3.2389 3.2389 4.6885 4.6885 5.3748 5.3748 5.4483 5.4483 5.5093 5.5093 6.1565 6.1565 6.3582 6.3582 6.5921 6.5921 6.9277 6.9277 7.0284 7.0284 7.1586 7.1586 7.8544 7.8544 8.1253 8.1253 8.5717 8.5717 8.7278 8.7278 9.0074 9.0074 9.4246 9.4246 9.5604 9.5604 10.1226 10.1226 k = 0.2167-0.1532 0.6124 ( 10410 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -0.7301 -0.7301 -0.5356 -0.5356 0.6593 0.6593 0.9810 0.9810 2.1818 2.1818 2.2190 2.2190 2.6472 2.6472 3.1322 3.1322 4.7169 4.7169 5.3537 5.3537 5.4288 5.4288 5.5363 5.5363 6.1183 6.1183 6.3031 6.3031 6.6152 6.6152 6.8892 6.8892 6.9780 6.9780 7.0735 7.0735 7.8785 7.8785 8.0987 8.0987 8.5246 8.5246 8.6515 8.6515 9.0137 9.0137 9.3908 9.3908 9.5701 9.5701 10.1363 10.1363 k = 0.2000-0.1414 0.6124 ( 10426 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -0.7674 -0.7674 -0.5690 -0.5690 0.7044 0.7044 1.0317 1.0317 2.3032 2.3032 2.3433 2.3433 2.5432 2.5432 3.0263 3.0263 4.7458 4.7458 5.3193 5.3193 5.3953 5.3953 5.5676 5.5676 6.0884 6.0884 6.2431 6.2431 6.6228 6.6228 6.8506 6.8506 6.9363 6.9363 7.0019 7.0019 7.9007 7.9007 8.0620 8.0620 8.4817 8.4817 8.5835 8.5835 9.0238 9.0238 9.3621 9.3621 9.5803 9.5803 10.1492 10.1492 k = 0.1833-0.1296 0.6124 ( 10418 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -0.8017 -0.8017 -0.5997 -0.5997 0.7521 0.7521 1.0852 1.0852 2.4144 2.4144 2.4480 2.4480 2.4744 2.4744 2.9213 2.9213 4.7751 4.7751 5.2688 5.2688 5.3481 5.3481 5.6012 5.6012 6.0673 6.0673 6.1842 6.1842 6.6144 6.6144 6.8120 6.8120 6.9026 6.9026 6.9459 6.9459 7.9090 7.9090 8.0279 8.0279 8.4429 8.4429 8.5250 8.5250 9.0347 9.0347 9.3383 9.3383 9.5882 9.5882 10.1491 10.1491 k = 0.1667-0.1179 0.6124 ( 10398 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -0.8331 -0.8331 -0.6279 -0.6279 0.8023 0.8023 1.1412 1.1412 2.3360 2.3360 2.5539 2.5539 2.5990 2.5990 2.8177 2.8177 4.8044 4.8044 5.2012 5.2012 5.2871 5.2871 5.6367 5.6367 6.0499 6.0499 6.1368 6.1368 6.5907 6.5907 6.7756 6.7756 6.8705 6.8705 6.9090 6.9090 7.8781 7.8781 8.0240 8.0240 8.4079 8.4079 8.4759 8.4759 9.0435 9.0435 9.3188 9.3188 9.5928 9.5928 10.1339 10.1339 k = 0.1500-0.1061 0.6124 ( 10424 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -0.8616 -0.8616 -0.6533 -0.6533 0.8550 0.8550 1.1999 1.1999 2.2385 2.2385 2.6782 2.6782 2.7120 2.7120 2.7324 2.7324 4.8332 4.8332 5.1176 5.1176 5.2124 5.2124 5.6736 5.6736 6.0242 6.0242 6.1153 6.1153 6.5543 6.5543 6.7423 6.7423 6.8379 6.8379 6.8899 6.8899 7.8139 7.8139 8.0467 8.0467 8.3767 8.3767 8.4353 8.4353 9.0479 9.0479 9.3032 9.3032 9.5946 9.5946 10.1089 10.1089 k = 0.1333-0.0943 0.6124 ( 10416 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -0.8870 -0.8870 -0.6761 -0.6761 0.9102 0.9102 1.2610 1.2610 2.1426 2.1426 2.6139 2.6139 2.8051 2.8051 2.8595 2.8595 4.8610 4.8610 5.0208 5.0208 5.1248 5.1248 5.7118 5.7118 5.9913 5.9913 6.1185 6.1185 6.5095 6.5095 6.7110 6.7110 6.8089 6.8089 6.8820 6.8820 7.7362 7.7362 8.0779 8.0779 8.3491 8.3491 8.4023 8.4023 9.0465 9.0465 9.2910 9.2910 9.5947 9.5947 10.0785 10.0785 k = 0.1167-0.0825 0.6124 ( 10416 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -0.9095 -0.9095 -0.6962 -0.6962 0.9677 0.9677 1.3246 1.3246 2.0490 2.0490 2.5155 2.5155 2.9313 2.9313 2.9906 2.9906 4.8859 4.8859 4.9147 4.9147 5.0268 5.0268 5.7510 5.7510 5.9617 5.9617 6.1338 6.1338 6.4600 6.4600 6.6811 6.6811 6.7841 6.7841 6.8827 6.8827 7.6533 7.6533 8.1107 8.1107 8.3253 8.3253 8.3762 8.3762 9.0391 9.0391 9.2816 9.2816 9.5941 9.5941 10.0458 10.0458 k = 0.1000-0.0707 0.6124 ( 10412 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -0.9290 -0.9290 -0.7137 -0.7137 1.0276 1.0276 1.3904 1.3904 1.9578 1.9578 2.4191 2.4191 3.0567 3.0567 3.1220 3.1220 4.7998 4.7998 4.8949 4.8949 4.9361 4.9361 5.7907 5.7907 5.9388 5.9388 6.1541 6.1541 6.4085 6.4085 6.6528 6.6528 6.7626 6.7626 6.8914 6.8914 7.5688 7.5688 8.1418 8.1418 8.3053 8.3053 8.3568 8.3568 9.0264 9.0264 9.2746 9.2746 9.5936 9.5936 10.0131 10.0131 k = 0.0833-0.0589 0.6124 ( 10416 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -0.9455 -0.9455 -0.7285 -0.7285 1.0897 1.0897 1.4581 1.4581 1.8692 1.8692 2.3252 2.3252 3.1801 3.1801 3.2527 3.2527 4.6816 4.6816 4.8001 4.8001 4.9410 4.9410 5.8299 5.8299 5.9233 5.9233 6.1760 6.1760 6.3569 6.3569 6.6266 6.6266 6.7439 6.7439 6.9081 6.9081 7.4848 7.4848 8.1685 8.1685 8.2889 8.2889 8.3446 8.3446 9.0100 9.0100 9.2696 9.2696 9.5937 9.5937 9.9820 9.9820 k = 0.0667-0.0471 0.6124 ( 10424 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -0.9591 -0.9591 -0.7406 -0.7406 1.1539 1.1539 1.5271 1.5271 1.7836 1.7836 2.2345 2.2345 3.2991 3.2991 3.3815 3.3815 4.5616 4.5616 4.6888 4.6888 4.9593 4.9593 5.8651 5.8651 5.9171 5.9171 6.1967 6.1967 6.3067 6.3067 6.6034 6.6034 6.7280 6.7280 6.9327 6.9327 7.4031 7.4031 8.1881 8.1881 8.2762 8.2762 8.3401 8.3401 8.9918 8.9918 9.2661 9.2661 9.5945 9.5945 9.9539 9.9539 k = 0.0500-0.0354 0.6124 ( 10428 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -0.9696 -0.9696 -0.7500 -0.7500 1.2195 1.2195 1.5955 1.5955 1.7025 1.7025 2.1479 2.1479 3.4097 3.4097 3.5058 3.5058 4.4432 4.4432 4.5820 4.5820 4.9749 4.9749 5.8831 5.8831 5.9314 5.9314 6.2132 6.2132 6.2605 6.2605 6.5840 6.5840 6.7152 6.7152 6.9652 6.9652 7.3249 7.3249 8.1998 8.1998 8.2668 8.2668 8.3428 8.3428 8.9741 8.9741 9.2639 9.2639 9.5959 9.5959 9.9302 9.9302 k = 0.0333-0.0236 0.6124 ( 10430 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -0.9771 -0.9771 -0.7567 -0.7567 1.2855 1.2855 1.6161 1.6161 1.6719 1.6719 2.0679 2.0679 3.5048 3.5048 3.6203 3.6203 4.3324 4.3324 4.4885 4.4885 4.9867 4.9867 5.8845 5.8845 5.9629 5.9629 6.2069 6.2069 6.2374 6.2374 6.5693 6.5693 6.7058 6.7058 7.0052 7.0052 7.2517 7.2517 8.2051 8.2051 8.2603 8.2603 8.3495 8.3495 8.9592 8.9592 9.2625 9.2625 9.5975 9.5975 9.9121 9.9121 k = 0.0167-0.0118 0.6124 ( 10412 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -0.9816 -0.9816 -0.7607 -0.7607 1.3470 1.3470 1.5512 1.5512 1.7268 1.7268 2.0019 2.0019 3.5726 3.5726 3.7116 3.7116 4.2432 4.2432 4.4214 4.4214 4.9940 4.9940 5.8833 5.8833 5.9922 5.9922 6.1764 6.1764 6.2426 6.2426 6.5602 6.5602 6.7000 6.7000 7.0505 7.0505 7.1861 7.1861 8.2068 8.2068 8.2565 8.2565 8.3557 8.3557 8.9492 8.9492 9.2618 9.2618 9.5988 9.5988 9.9007 9.9007 k = 0.0000 0.0000 0.6124 ( 10404 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -0.9831 -0.9831 -0.7621 -0.7621 1.3801 1.3801 1.5160 1.5160 1.7536 1.7536 1.9723 1.9723 3.5979 3.5979 3.7500 3.7500 4.2055 4.2055 4.3963 4.3963 4.9965 4.9965 5.8828 5.8828 6.0051 6.0051 6.1625 6.1625 6.2452 6.2452 6.5570 6.5570 6.6981 6.6981 7.0832 7.0832 7.1466 7.1466 8.2072 8.2072 8.2552 8.2552 8.3581 8.3581 8.9457 8.9457 9.2616 9.2616 9.5992 9.5992 9.8968 9.8968 k = 0.0000 0.0000 0.6124 ( 10404 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -0.9831 -0.9831 -0.7621 -0.7621 1.3801 1.3801 1.5160 1.5160 1.7536 1.7536 1.9723 1.9723 3.5979 3.5979 3.7500 3.7500 4.2055 4.2055 4.3963 4.3963 4.9965 4.9965 5.8828 5.8828 6.0051 6.0051 6.1625 6.1625 6.2452 6.2452 6.5570 6.5570 6.6981 6.6981 7.0832 7.0832 7.1466 7.1466 8.2072 8.2072 8.2552 8.2552 8.3581 8.3581 8.9457 8.9457 9.2616 9.2616 9.5992 9.5992 9.8968 9.8968 k = 0.0000 0.0000 0.5920 ( 10428 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -1.0114 -1.0114 -0.7311 -0.7311 1.3815 1.3815 1.5172 1.5172 1.7552 1.7552 1.9735 1.9735 3.5929 3.5929 3.7410 3.7410 4.2116 4.2116 4.4071 4.4071 4.9868 4.9868 5.8711 5.8711 5.9505 5.9505 6.2002 6.2002 6.2383 6.2383 6.5763 6.5763 6.6835 6.6835 7.0925 7.0925 7.1670 7.1670 8.2038 8.2038 8.2537 8.2537 8.3555 8.3555 8.9497 8.9497 9.2666 9.2666 9.6023 9.6023 9.8983 9.8983 k = 0.0000 0.0000 0.5715 ( 10416 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -1.0720 -1.0720 -0.6625 -0.6625 1.3855 1.3855 1.5206 1.5206 1.7599 1.7599 1.9772 1.9772 3.5784 3.5784 3.7158 3.7158 4.2292 4.2292 4.4377 4.4377 4.9586 4.9586 5.8276 5.8276 5.8564 5.8564 6.2107 6.2107 6.2649 6.2649 6.5940 6.5940 6.6828 6.6828 7.1202 7.1202 7.2182 7.2182 8.1905 8.1905 8.2505 8.2505 8.3509 8.3509 8.9618 8.9618 9.2814 9.2814 9.6119 9.6119 9.9026 9.9026 k = 0.0000 0.0000 0.5511 ( 10414 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -1.1417 -1.1417 -0.5795 -0.5795 1.3922 1.3922 1.5263 1.5263 1.7678 1.7678 1.9833 1.9833 3.5559 3.5559 3.6784 3.6784 4.2557 4.2557 4.4846 4.4846 4.9140 4.9140 5.7168 5.7168 5.7982 5.7982 6.1697 6.1697 6.3214 6.3214 6.5491 6.5491 6.7609 6.7609 7.1628 7.1628 7.2851 7.2851 8.1616 8.1616 8.2478 8.2478 8.3512 8.3512 8.9815 8.9815 9.3046 9.3046 9.6297 9.6297 9.9090 9.9090 k = 0.0000 0.0000 0.5307 ( 10414 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -1.2130 -1.2130 -0.4894 -0.4894 1.4016 1.4016 1.5344 1.5344 1.7787 1.7787 1.9919 1.9919 3.5274 3.5274 3.6332 3.6332 4.2885 4.2885 4.5439 4.5439 4.8559 4.8559 5.5903 5.5903 5.7378 5.7378 6.1099 6.1099 6.3642 6.3642 6.5024 6.5024 6.8649 6.8649 7.2145 7.2145 7.3581 7.3581 8.1178 8.1178 8.2453 8.2453 8.3617 8.3617 9.0087 9.0087 9.3344 9.3344 9.6574 9.6574 9.9170 9.9170 k = 0.0000 0.0000 0.5103 ( 10404 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -1.2836 -1.2836 -0.3948 -0.3948 1.4136 1.4136 1.5447 1.5447 1.7928 1.7928 2.0030 2.0030 3.4946 3.4946 3.5834 3.5834 4.3247 4.3247 4.6120 4.6120 4.7873 4.7873 5.4603 5.4603 5.6711 5.6711 6.0324 6.0324 6.3558 6.3558 6.5075 6.5075 6.9748 6.9748 7.2695 7.2695 7.4319 7.4319 8.0657 8.0657 8.2414 8.2414 8.3843 8.3843 9.0433 9.0433 9.3685 9.3685 9.6963 9.6963 9.9270 9.9270 k = 0.0000 0.0000 0.4899 ( 10392 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -1.3525 -1.3525 -0.2966 -0.2966 1.4283 1.4283 1.5573 1.5573 1.8101 1.8101 2.0164 2.0164 3.4591 3.4591 3.5313 3.5313 4.3618 4.3618 4.6858 4.6858 4.7113 4.7113 5.3291 5.3291 5.6017 5.6017 5.9401 5.9401 6.3020 6.3020 6.5600 6.5600 7.0823 7.0823 7.3229 7.3229 7.5027 7.5027 8.0147 8.0147 8.2358 8.2358 8.4192 8.4192 9.0854 9.0854 9.4048 9.4048 9.7461 9.7461 9.9407 9.9407 k = 0.0000 0.0000 0.4695 ( 10400 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -1.4192 -1.4192 -0.1952 -0.1952 1.4456 1.4456 1.5722 1.5722 1.8304 1.8304 2.0323 2.0323 3.4219 3.4219 3.4785 3.4785 4.3968 4.3968 4.6278 4.6278 4.7655 4.7655 5.1980 5.1980 5.5338 5.5338 5.8372 5.8372 6.2347 6.2347 6.6254 6.6254 7.1802 7.1802 7.3712 7.3712 7.5656 7.5656 7.9760 7.9760 8.2285 8.2285 8.4670 8.4670 9.1351 9.1351 9.4416 9.4416 9.8033 9.8033 9.9620 9.9620 k = 0.0000 0.0000 0.4491 ( 10410 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -1.4836 -1.4836 -0.0910 -0.0910 1.4656 1.4656 1.5893 1.5893 1.8538 1.8538 2.0507 2.0507 3.3837 3.3837 3.4261 3.4261 4.4264 4.4264 4.5414 4.5414 4.8464 4.8464 5.0679 5.0679 5.4713 5.4713 5.7275 5.7275 6.1601 6.1601 6.6941 6.6941 7.2592 7.2592 7.4144 7.4144 7.6155 7.6155 7.9615 7.9615 8.2199 8.2199 8.5285 8.5285 9.1925 9.1925 9.4783 9.4783 9.8586 9.8586 9.9994 9.9994 k = 0.0000 0.0000 0.4287 ( 10402 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -1.5454 -1.5454 0.0159 0.0159 1.4882 1.4882 1.6087 1.6087 1.8803 1.8803 2.0715 2.0715 3.3449 3.3449 3.3752 3.3752 4.4405 4.4405 4.4586 4.4586 4.9194 4.9194 4.9473 4.9473 5.4180 5.4180 5.6149 5.6149 6.0786 6.0786 6.7632 6.7632 7.3060 7.3060 7.4581 7.4581 7.6526 7.6526 7.9769 7.9769 8.2102 8.2102 8.6046 8.6046 9.2578 9.2578 9.5150 9.5150 9.9017 9.9017 10.0619 10.0619 k = 0.0000 0.0000 0.4082 ( 10412 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -1.6045 -1.6045 0.1253 0.1253 1.5134 1.5134 1.6304 1.6304 1.9098 1.9098 2.0947 2.0947 3.3051 3.3051 3.3271 3.3271 4.3583 4.3583 4.4576 4.4576 4.8089 4.8089 5.0084 5.0084 5.3766 5.3766 5.5048 5.5048 5.9905 5.9905 6.8309 6.8309 7.3151 7.3151 7.5057 7.5057 7.6842 7.6842 8.0152 8.0152 8.1997 8.1997 8.6956 8.6956 9.3310 9.3310 9.5523 9.5523 9.9338 9.9338 10.1453 10.1453 k = 0.0000 0.0000 0.3878 ( 10396 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -1.6609 -1.6609 0.2372 0.2372 1.5412 1.5412 1.6543 1.6543 1.9423 1.9423 2.1203 2.1203 3.2632 3.2632 3.2836 3.2836 4.2657 4.2657 4.4499 4.4499 4.6833 4.6833 5.0746 5.0746 5.3409 5.3409 5.4147 5.4147 5.8974 5.8974 6.8959 6.8959 7.2988 7.2988 7.5510 7.5510 7.7170 7.7170 8.0633 8.0633 8.1887 8.1887 8.8016 8.8016 9.4122 9.4122 9.5913 9.5913 9.9620 9.9620 10.2390 10.2390 k = 0.0000 0.0000 0.3674 ( 10390 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -1.7146 -1.7146 0.3515 0.3515 1.5716 1.5716 1.6803 1.6803 1.9778 1.9778 2.1484 2.1484 3.2193 3.2193 3.2451 3.2451 4.1725 4.1725 4.4252 4.4252 4.5594 4.5594 5.1003 5.1003 5.2959 5.2959 5.3865 5.3865 5.8035 5.8035 6.9568 6.9568 7.2721 7.2721 7.5897 7.5897 7.7509 7.7509 8.1099 8.1099 8.1782 8.1782 8.9214 8.9214 9.5012 9.5012 9.6329 9.6329 9.9898 9.9898 10.3342 10.3342 k = 0.0000 0.0000 0.3470 ( 10384 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -1.7655 -1.7655 0.4679 0.4679 1.6045 1.6045 1.7086 1.7086 2.0163 2.0163 2.1788 2.1788 3.1757 3.1757 3.2096 3.2096 4.0792 4.0792 4.3839 4.3839 4.4380 4.4380 5.0440 5.0440 5.2896 5.2896 5.4021 5.4021 5.7198 5.7198 7.0116 7.0116 7.2456 7.2456 7.6215 7.6215 7.7836 7.7836 8.1433 8.1433 8.1738 8.1738 9.0537 9.0537 9.5976 9.5976 9.6779 9.6779 10.0181 10.0181 10.4237 10.4237 k = 0.0000 0.0000 0.3266 ( 10386 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -1.8136 -1.8136 0.5866 0.5866 1.6399 1.6399 1.7390 1.7390 2.0576 2.0576 2.2117 2.2117 3.1337 3.1337 3.1764 3.1764 3.9863 3.9863 4.3136 4.3136 4.3342 4.3342 4.9415 4.9415 5.2867 5.2867 5.4348 5.4348 5.6709 5.6709 7.0559 7.0559 7.2285 7.2285 7.6480 7.6480 7.8131 7.8131 8.1444 8.1444 8.1908 8.1908 9.1965 9.1965 9.6992 9.6992 9.7269 9.7269 10.0471 10.0471 10.5007 10.5007 k = 0.0000 0.0000 0.3062 ( 10376 PWs) bands (ev): -64.5197 -64.5197 -35.9865 -35.9865 -26.2763 -26.2763 -26.2763 -26.2763 -1.8589 -1.8589 0.7072 0.7072 1.6778 1.6778 1.7715 1.7715 2.1018 2.1018 2.2470 2.2470 3.0937 3.0937 3.1451 3.1451 3.8942 3.8942 4.1987 4.1987 4.2670 4.2670 4.8266 4.8266 5.2353 5.2353 5.4757 5.4757 5.6811 5.6811 7.0826 7.0826 7.2306 7.2306 7.6702 7.6702 7.8385 7.8385 8.1340 8.1340 8.2065 8.2065 9.3480 9.3480 9.7656 9.7656 9.8160 9.8160 10.0778 10.0778 10.5599 10.5599 k = 0.0000 0.0000 0.2858 ( 10386 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -1.9013 -1.9013 0.8298 0.8298 1.7180 1.7180 1.8061 1.8061 2.1487 2.1487 2.2846 2.2846 3.0560 3.0560 3.1157 3.1157 3.8033 3.8033 4.0841 4.0841 4.1948 4.1948 4.7082 4.7082 5.1375 5.1375 5.5269 5.5269 5.7347 5.7347 7.0908 7.0908 7.2547 7.2547 7.6892 7.6892 7.8594 7.8594 8.1222 8.1222 8.2105 8.2105 9.5066 9.5066 9.7996 9.7996 9.9327 9.9327 10.1143 10.1143 10.6004 10.6004 k = 0.0000 0.0000 0.2654 ( 10396 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -1.9408 -1.9408 0.9540 0.9540 1.7606 1.7606 1.8427 1.8427 2.1982 2.1982 2.3246 2.3246 3.0208 3.0208 3.0881 3.0881 3.7139 3.7139 3.9719 3.9719 4.1178 4.1178 4.5891 4.5891 5.0153 5.0153 5.5871 5.5871 5.8060 5.8060 7.0914 7.0914 7.2913 7.2913 7.7054 7.7054 7.8759 7.8759 8.1107 8.1107 8.2022 8.2022 9.6704 9.6704 9.8090 9.8090 10.0563 10.0563 10.1639 10.1639 10.6266 10.6266 k = 0.0000 0.0000 0.2449 ( 10400 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -1.9775 -1.9775 1.0798 1.0798 1.8054 1.8054 1.8811 1.8811 2.2502 2.2502 2.3670 2.3670 2.9883 2.9883 3.0624 3.0624 3.6262 3.6262 3.8624 3.8624 4.0379 4.0379 4.4703 4.4703 4.8815 4.8815 5.6532 5.6532 5.8821 5.8821 7.0940 7.0940 7.3319 7.3319 7.7194 7.7194 7.8879 7.8879 8.0997 8.0997 8.1827 8.1827 9.7816 9.7816 9.8425 9.8425 10.1854 10.1854 10.2307 10.2307 10.6467 10.6467 k = 0.0000 0.0000 0.2245 ( 10390 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -2.0112 -2.0112 1.2068 1.2068 1.8523 1.8523 1.9214 1.9214 2.3044 2.3044 2.4117 2.4117 2.9585 2.9585 3.0386 3.0386 3.5406 3.5406 3.7559 3.7559 3.9562 3.9562 4.3523 4.3523 4.7417 4.7417 5.7233 5.7233 5.9571 5.9571 7.1036 7.1036 7.3729 7.3729 7.7313 7.7313 7.8954 7.8954 8.0894 8.0894 8.1540 8.1540 9.7281 9.7281 10.0123 10.0123 10.3095 10.3095 10.3215 10.3215 10.6669 10.6669 k = 0.0000 0.0000 0.2041 ( 10384 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -2.0421 -2.0421 1.3347 1.3347 1.9011 1.9011 1.9634 1.9634 2.3607 2.3607 2.4589 2.4589 2.9315 2.9315 3.0169 3.0169 3.4575 3.4575 3.6525 3.6525 3.8739 3.8739 4.2353 4.2353 4.5991 4.5991 5.7955 5.7955 6.0274 6.0274 7.1227 7.1227 7.4128 7.4128 7.7413 7.7413 7.8984 7.8984 8.0787 8.0787 8.1198 8.1198 9.6481 9.6481 10.1856 10.1856 10.4000 10.4000 10.4580 10.4580 10.6903 10.6903 k = 0.0000 0.0000 0.1837 ( 10376 PWs) bands (ev): -64.5197 -64.5197 -35.9865 -35.9865 -26.2763 -26.2763 -26.2763 -26.2763 -2.0700 -2.0700 1.4631 1.4631 1.9515 1.9515 2.0068 2.0068 2.4184 2.4184 2.5084 2.5084 2.9076 2.9076 2.9972 2.9972 3.3772 3.3772 3.5525 3.5525 3.7916 3.7916 4.1195 4.1195 4.4561 4.4561 5.8685 5.8685 6.0906 6.0906 7.1526 7.1526 7.4511 7.4511 7.7493 7.7493 7.8970 7.8970 8.0580 8.0580 8.0916 8.0916 9.5506 9.5506 10.3599 10.3599 10.4914 10.4914 10.5977 10.5977 10.7176 10.7176 k = 0.0000 0.0000 0.1633 ( 10372 PWs) bands (ev): -64.5197 -64.5197 -35.9865 -35.9865 -26.2763 -26.2763 -26.2763 -26.2763 -2.0950 -2.0950 1.5913 1.5913 2.0034 2.0034 2.0515 2.0515 2.4771 2.4771 2.5604 2.5604 2.8868 2.8868 2.9797 2.9797 3.3006 3.3006 3.4563 3.4563 3.7101 3.7101 4.0045 4.0045 4.3145 4.3145 5.9410 5.9410 6.1453 6.1453 7.1940 7.1940 7.4877 7.4877 7.7552 7.7552 7.8912 7.8912 8.0183 8.0183 8.0809 8.0809 9.4420 9.4420 10.5334 10.5334 10.5798 10.5798 10.7242 10.7242 10.7617 10.7617 k = 0.0000 0.0000 0.1429 ( 10388 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -2.1171 -2.1171 1.7183 1.7183 2.0562 2.0562 2.0970 2.0970 2.5357 2.5357 2.6149 2.6149 2.8695 2.8695 2.9646 2.9646 3.2282 3.2282 3.3643 3.3643 3.6298 3.6298 3.8902 3.8902 4.1765 4.1765 6.0117 6.0117 6.1908 6.1908 7.2461 7.2461 7.5224 7.5224 7.7585 7.7585 7.8816 7.8816 7.9731 7.9731 8.0767 8.0767 9.3277 9.3277 10.6586 10.6586 10.7055 10.7055 10.7676 10.7676 10.8896 10.8896 k = 0.0000 0.0000 0.1225 ( 10380 PWs) bands (ev): -64.5197 -64.5197 -35.9865 -35.9865 -26.2763 -26.2763 -26.2763 -26.2763 -2.1362 -2.1362 1.8429 1.8429 2.1091 2.1091 2.1429 2.1429 2.5927 2.5927 2.6717 2.6717 2.8562 2.8562 2.9521 2.9521 3.1615 3.1615 3.2772 3.2772 3.5512 3.5512 3.7760 3.7760 4.0445 4.0445 6.0790 6.0790 6.2272 6.2272 7.3073 7.3073 7.5551 7.5551 7.7581 7.7581 7.8684 7.8684 7.9297 7.9297 8.0744 8.0744 9.2121 9.2121 10.7269 10.7269 10.7924 10.7924 10.8760 10.8760 11.0288 11.0288 k = 0.0000 0.0000 0.1021 ( 10368 PWs) bands (ev): -64.5197 -64.5197 -35.9865 -35.9865 -26.2763 -26.2763 -26.2763 -26.2763 -2.1525 -2.1525 1.9629 1.9629 2.1612 2.1612 2.1883 2.1883 2.6453 2.6453 2.7303 2.7303 2.8484 2.8484 2.9432 2.9432 3.1020 3.1020 3.1960 3.1960 3.4750 3.4750 3.6615 3.6615 3.9212 3.9212 6.1414 6.1414 6.2554 6.2554 7.3746 7.3746 7.5859 7.5859 7.7524 7.7524 7.8525 7.8525 7.8929 7.8929 8.0727 8.0727 9.0994 9.0994 10.7805 10.7805 10.8172 10.8172 11.0371 11.0371 11.1629 11.1629 k = 0.0000 0.0000 0.0816 ( 10364 PWs) bands (ev): -64.5197 -64.5197 -35.9865 -35.9865 -26.2763 -26.2763 -26.2763 -26.2763 -2.1657 -2.1657 2.0751 2.0751 2.2108 2.2108 2.2322 2.2322 2.6879 2.6879 2.7894 2.7894 2.8498 2.8498 2.9390 2.9390 3.0521 3.0521 3.1223 3.1223 3.4020 3.4020 3.5473 3.5473 3.8100 3.8100 6.1969 6.1969 6.2763 6.2763 7.4433 7.4433 7.6148 7.6148 7.7400 7.7400 7.8365 7.8365 7.8649 7.8649 8.0710 8.0710 8.9940 8.9940 10.8199 10.8199 10.8378 10.8378 11.1884 11.1884 11.2862 11.2862 k = 0.0000 0.0000 0.0612 ( 10369 PWs) bands (ev): -64.5197 -64.5197 -35.9865 -35.9865 -26.2763 -26.2763 -26.2763 -26.2763 -2.1760 -2.1760 2.1747 2.1747 2.2555 2.2555 2.2728 2.2728 2.7119 2.7119 2.8459 2.8459 2.8688 2.8688 2.9414 2.9414 3.0137 3.0137 3.0584 3.0584 3.3337 3.3337 3.4351 3.4351 3.7144 3.7144 6.2435 6.2435 6.2912 6.2912 7.5071 7.5071 7.6420 7.6420 7.7234 7.7234 7.8241 7.8241 7.8436 7.8436 8.0689 8.0689 8.9011 8.9011 10.8468 10.8468 10.8544 10.8544 11.3234 11.3234 11.3916 11.3916 k = 0.0000 0.0000 0.0408 ( 10401 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -2.1834 -2.1834 2.2548 2.2548 2.2917 2.2917 2.3076 2.3076 2.7153 2.7153 2.8948 2.8948 2.9085 2.9085 2.9507 2.9507 2.9877 2.9877 3.0077 3.0077 3.2728 3.2728 3.3303 3.3303 3.6387 3.6387 6.2788 6.2788 6.3011 6.3011 7.5568 7.5568 7.6682 7.6682 7.7095 7.7095 7.8155 7.8155 7.8262 7.8262 8.0662 8.0662 8.8269 8.8269 10.8639 10.8639 10.8664 10.8664 11.4326 11.4326 11.4707 11.4707 k = 0.0000 0.0000 0.0204 ( 10425 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -2.1879 -2.1879 2.3068 2.3068 2.3156 2.3156 2.3328 2.3328 2.7090 2.7090 2.9391 2.9391 2.9474 2.9474 2.9628 2.9628 2.9714 2.9714 2.9765 2.9765 3.2262 3.2262 3.2448 3.2448 3.5888 3.5888 6.3010 6.3010 6.3068 6.3068 7.5844 7.5844 7.6916 7.6916 7.7033 7.7033 7.8096 7.8096 7.8129 7.8129 8.0638 8.0638 8.7783 8.7783 10.8732 10.8732 10.8737 10.8737 11.5045 11.5045 11.5163 11.5163 k = 0.0000 0.0000 0.0000 ( 10425 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -2.1893 -2.1893 2.3240 2.3240 2.3240 2.3240 2.3431 2.3431 2.7052 2.7052 2.9611 2.9611 2.9611 2.9611 2.9616 2.9616 2.9711 2.9711 2.9711 2.9711 3.2072 3.2072 3.2073 3.2073 3.5712 3.5712 6.3086 6.3086 6.3086 6.3086 7.5920 7.5920 7.7023 7.7023 7.7023 7.7023 7.8073 7.8073 7.8073 7.8073 8.0627 8.0627 8.7612 8.7612 10.8761 10.8761 10.8761 10.8761 11.5296 11.5296 11.5296 11.5296 k = 0.0000 0.0000 0.0000 ( 10425 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -2.1893 -2.1893 2.3240 2.3240 2.3240 2.3240 2.3431 2.3431 2.7052 2.7052 2.9611 2.9611 2.9611 2.9611 2.9616 2.9616 2.9711 2.9711 2.9711 2.9711 3.2072 3.2072 3.2073 3.2073 3.5712 3.5712 6.3086 6.3086 6.3086 6.3086 7.5920 7.5920 7.7023 7.7023 7.7023 7.7023 7.8073 7.8073 7.8073 7.8073 8.0627 8.0627 8.7612 8.7612 10.8761 10.8761 10.8761 10.8761 11.5296 11.5296 11.5296 11.5296 k = 0.0069 0.0098 0.0170 ( 10425 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -2.1878 -2.1878 2.3097 2.3097 2.3121 2.3121 2.3316 2.3316 2.7095 2.7095 2.9468 2.9468 2.9494 2.9494 2.9614 2.9614 2.9669 2.9669 2.9704 2.9704 3.2359 3.2359 3.2385 3.2385 3.5895 3.5895 6.3036 6.3036 6.3039 6.3039 7.5837 7.5837 7.6911 7.6911 7.7038 7.7038 7.8102 7.8102 7.8125 7.8125 8.0638 8.0638 8.7790 8.7790 10.8732 10.8732 10.8734 10.8734 11.5097 11.5097 11.5099 11.5099 k = 0.0139 0.0196 0.0340 ( 10401 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -2.1832 -2.1832 2.2687 2.2687 2.2775 2.2775 2.2986 2.2986 2.7210 2.7210 2.9168 2.9168 2.9242 2.9242 2.9529 2.9529 2.9683 2.9683 2.9729 2.9729 3.3068 3.3068 3.3139 3.3139 3.6412 3.6412 6.2886 6.2886 6.2900 6.2900 7.5502 7.5502 7.6742 7.6742 7.7078 7.7078 7.8195 7.8195 7.8234 7.8234 8.0660 8.0660 8.8296 8.8296 10.8638 10.8638 10.8648 10.8648 11.4497 11.4497 11.4506 11.4506 k = 0.0208 0.0295 0.0510 ( 10365 PWs) bands (ev): -64.5197 -64.5197 -35.9865 -35.9865 -26.2763 -26.2763 -26.2763 -26.2763 -2.1755 -2.1755 2.2064 2.2064 2.2230 2.2230 2.2468 2.2468 2.7373 2.7373 2.8907 2.8907 2.9022 2.9022 2.9411 2.9411 2.9753 2.9753 2.9779 2.9779 3.4006 3.4006 3.4116 3.4116 3.7185 3.7185 6.2647 6.2647 6.2675 6.2675 7.4855 7.4855 7.6684 7.6684 7.7126 7.7126 7.8356 7.8356 7.8358 7.8358 8.0678 8.0678 8.9071 8.9071 10.8464 10.8464 10.8482 10.8482 11.3539 11.3539 11.3563 11.3563 k = 0.0278 0.0393 0.0680 ( 10374 PWs) bands (ev): -64.5197 -64.5197 -35.9865 -35.9865 -26.2763 -26.2763 -26.2763 -26.2763 -2.1647 -2.1647 2.1293 2.1293 2.1531 2.1531 2.1793 2.1793 2.7568 2.7568 2.8741 2.8741 2.8886 2.8886 2.9318 2.9318 2.9849 2.9849 2.9853 2.9853 3.5080 3.5080 3.5217 3.5217 3.8139 3.8139 6.2327 6.2327 6.2375 6.2375 7.3999 7.3999 7.6692 7.6692 7.7168 7.7168 7.8487 7.8487 7.8595 7.8595 8.0693 8.0693 9.0045 9.0045 10.8163 10.8163 10.8186 10.8186 11.2364 11.2364 11.2411 11.2411 k = 0.0347 0.0491 0.0851 ( 10368 PWs) bands (ev): -64.5197 -64.5197 -35.9865 -35.9865 -26.2763 -26.2763 -26.2763 -26.2763 -2.1509 -2.1509 2.0426 2.0426 2.0722 2.0722 2.0997 2.0997 2.7784 2.7784 2.8670 2.8670 2.8837 2.8837 2.9272 2.9272 2.9940 2.9940 2.9982 2.9982 3.6242 3.6242 3.6400 3.6400 3.9219 3.9219 6.1941 6.1941 6.2012 6.2012 7.3031 7.3031 7.6706 7.6706 7.7196 7.7196 7.8616 7.8616 7.8899 7.8899 8.0721 8.0721 9.1159 9.1159 10.7634 10.7634 10.7649 10.7649 11.1184 11.1184 11.1272 11.1272 k = 0.0417 0.0589 0.1021 ( 10386 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -2.1340 -2.1340 1.9499 1.9499 1.9842 1.9842 2.0116 2.0116 2.8020 2.8020 2.8678 2.8678 2.8862 2.8862 2.9277 2.9277 3.0051 3.0051 3.0140 3.0140 3.7466 3.7466 3.7639 3.7639 4.0387 4.0387 6.1503 6.1503 6.1598 6.1598 7.2000 7.2000 7.6691 7.6691 7.7209 7.7209 7.8719 7.8719 7.9257 7.9257 8.0793 8.0793 9.2369 9.2369 10.6722 10.6722 10.6727 10.6727 11.0237 11.0237 11.0382 11.0382 k = 0.0486 0.0687 0.1191 ( 10362 PWs) bands (ev): -64.5197 -64.5197 -35.9865 -35.9865 -26.2763 -26.2763 -26.2763 -26.2763 -2.1141 -2.1141 1.8538 1.8538 1.8919 1.8919 1.9179 1.9179 2.8274 2.8274 2.8748 2.8748 2.8948 2.8948 2.9333 2.9333 3.0182 3.0182 3.0327 3.0327 3.8735 3.8735 3.8920 3.8920 4.1617 4.1617 6.1026 6.1026 6.1145 6.1145 7.0939 7.0939 7.6633 7.6633 7.7209 7.7209 7.8766 7.8766 7.9650 7.9650 8.0934 8.0934 9.3641 9.3641 10.5390 10.5390 10.5408 10.5408 10.9616 10.9616 10.9817 10.9817 k = 0.0556 0.0786 0.1361 ( 10386 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -2.0911 -2.0911 1.7558 1.7558 1.7975 1.7975 1.8208 1.8208 2.8545 2.8545 2.8870 2.8870 2.9083 2.9083 2.9439 2.9439 3.0334 3.0334 3.0543 3.0543 4.0036 4.0036 4.0230 4.0230 4.2891 4.2891 6.0522 6.0522 6.0667 6.0667 6.9866 6.9866 7.6522 7.6522 7.7200 7.7200 7.8740 7.8740 8.0058 8.0058 8.1153 8.1153 9.4949 9.4949 10.3802 10.3802 10.3821 10.3821 10.9223 10.9223 10.9468 10.9468 k = 0.0625 0.0884 0.1531 ( 10392 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -2.0650 -2.0650 1.6571 1.6571 1.7021 1.7021 1.7219 1.7219 2.8828 2.8828 2.9034 2.9034 2.9259 2.9259 2.9599 2.9599 3.0507 3.0507 3.0787 3.0787 4.1359 4.1359 4.1561 4.1561 4.4195 4.4195 6.0004 6.0004 6.0173 6.0173 6.8793 6.8793 7.6351 7.6351 7.7181 7.7181 7.8649 7.8649 8.0462 8.0462 8.1433 8.1433 9.6269 9.6269 10.2094 10.2094 10.2106 10.2106 10.8948 10.8948 10.9230 10.9230 k = 0.0694 0.0982 0.1701 ( 10380 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -2.0359 -2.0359 1.5584 1.5584 1.6068 1.6068 1.6224 1.6224 2.9118 2.9118 2.9236 2.9236 2.9471 2.9471 2.9815 2.9815 3.0700 3.0700 3.1061 3.1061 4.2693 4.2693 4.2903 4.2903 4.5518 4.5518 5.9484 5.9484 5.9676 5.9676 6.7731 6.7731 7.6115 7.6115 7.7155 7.7155 7.8514 7.8514 8.0844 8.0844 8.1740 8.1740 9.7576 9.7576 10.0347 10.0347 10.0348 10.0348 10.8739 10.8739 10.9050 10.9050 k = 0.0764 0.1080 0.1871 ( 10381 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -2.0038 -2.0038 1.4602 1.4602 1.5121 1.5121 1.5233 1.5233 2.9406 2.9406 2.9472 2.9472 2.9720 2.9720 3.0090 3.0090 3.0914 3.0914 3.1362 3.1362 4.4028 4.4028 4.4247 4.4247 4.6849 4.6849 5.8976 5.8976 5.9188 5.9188 6.6686 6.6686 7.5808 7.5808 7.7122 7.7122 7.8353 7.8353 8.1180 8.1180 8.2042 8.2042 9.8545 9.8545 9.8612 9.8612 9.8894 9.8894 10.8572 10.8572 10.8904 10.8904 k = 0.0833 0.1179 0.2041 ( 10369 PWs) bands (ev): -64.5197 -64.5197 -35.9865 -35.9865 -26.2763 -26.2763 -26.2763 -26.2763 -1.9687 -1.9687 1.3627 1.3627 1.4187 1.4187 1.4253 1.4253 2.9687 2.9687 2.9737 2.9737 3.0005 3.0005 3.0426 3.0426 3.1149 3.1149 3.1693 3.1693 4.5349 4.5349 4.5578 4.5578 4.8176 4.8176 5.8495 5.8495 5.8723 5.8723 6.5666 6.5666 7.5426 7.5426 7.7081 7.7081 7.8180 7.8180 8.1446 8.1446 8.2305 8.2305 9.6868 9.6868 9.6928 9.6928 10.0063 10.0063 10.8439 10.8439 10.8781 10.8781 k = 0.0903 0.1277 0.2211 ( 10381 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -1.9305 -1.9305 1.2663 1.2663 1.3267 1.3267 1.3288 1.3288 2.9966 2.9966 3.0029 3.0029 3.0327 3.0327 3.0815 3.0815 3.1405 3.1405 3.2052 3.2052 4.6636 4.6636 4.6878 4.6878 4.9489 4.9489 5.8062 5.8062 5.8300 5.8300 6.4679 6.4679 7.4972 7.4972 7.7030 7.7030 7.7996 7.7996 8.1611 8.1611 8.2498 8.2498 9.5236 9.5236 9.5336 9.5336 10.1165 10.1165 10.8336 10.8336 10.8676 10.8676 k = 0.0972 0.1375 0.2381 ( 10390 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -1.8894 -1.8894 1.1710 1.1710 1.2343 1.2343 1.2365 1.2365 3.0250 3.0250 3.0347 3.0347 3.0678 3.0678 3.1253 3.1253 3.1684 3.1684 3.2439 3.2439 4.7860 4.7860 4.8119 4.8119 5.0771 5.0771 5.7708 5.7708 5.7947 5.7947 6.3734 6.3734 7.4449 7.4449 7.6967 7.6967 7.7799 7.7799 8.1637 8.1637 8.2584 8.2584 9.3727 9.3727 9.3880 9.3880 10.2128 10.2128 10.8259 10.8259 10.8585 10.8585 k = 0.1042 0.1473 0.2552 ( 10390 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -1.8452 -1.8452 1.0772 1.0772 1.1421 1.1421 1.1482 1.1482 3.0547 3.0547 3.0689 3.0689 3.1057 3.1057 3.1733 3.1733 3.1985 3.1985 3.2856 3.2856 4.8974 4.8974 4.9259 4.9259 5.1998 5.1998 5.7476 5.7476 5.7704 5.7704 6.2845 6.2845 7.3863 7.3863 7.6886 7.6886 7.7576 7.7576 8.1483 8.1483 8.2526 8.2526 9.2392 9.2392 9.2613 9.2613 10.2913 10.2913 10.8204 10.8204 10.8505 10.8505 k = 0.1111 0.1571 0.2722 ( 10402 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -1.7981 -1.7981 0.9848 0.9848 1.0524 1.0524 1.0619 1.0619 3.0859 3.0859 3.1051 3.1051 3.1462 3.1462 3.2252 3.2252 3.2309 3.2309 3.3300 3.3300 4.9914 4.9914 5.0236 5.0236 5.3138 5.3138 5.7430 5.7430 5.7629 5.7629 6.2037 6.2037 7.3224 7.3224 7.6777 7.6777 7.7308 7.7308 8.1119 8.1119 8.2294 8.2294 9.1283 9.1283 9.1582 9.1582 10.3491 10.3491 10.8165 10.8165 10.8433 10.8433 k = 0.1181 0.1670 0.2892 ( 10390 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -1.7480 -1.7480 0.8942 0.8942 0.9653 0.9653 0.9779 0.9779 3.1189 3.1189 3.1432 3.1432 3.1892 3.1892 3.2658 3.2658 3.2807 3.2807 3.3773 3.3773 5.0603 5.0603 5.0973 5.0973 5.4140 5.4140 5.7637 5.7637 5.7793 5.7793 6.1353 6.1353 7.2541 7.2541 7.6620 7.6620 7.6966 7.6966 8.0545 8.0545 8.1888 8.1888 9.0436 9.0436 9.0815 9.0815 10.3849 10.3849 10.8109 10.8109 10.8366 10.8366 k = 0.1250 0.1768 0.3062 ( 10378 PWs) bands (ev): -64.5197 -64.5197 -35.9865 -35.9865 -26.2763 -26.2763 -26.2763 -26.2763 -1.6949 -1.6949 0.8054 0.8054 0.8808 0.8808 0.8962 0.8962 3.1537 3.1537 3.1830 3.1830 3.2347 3.2347 3.3032 3.3032 3.3396 3.3396 3.4274 3.4274 5.0995 5.0995 5.1418 5.1418 5.4926 5.4926 5.8118 5.8118 5.8238 5.8238 6.0873 6.0873 7.1827 7.1827 7.6374 7.6374 7.6508 7.6508 7.9823 7.9823 8.1357 8.1357 8.9851 8.9851 9.0302 9.0302 10.3987 10.3987 10.7507 10.7507 10.8149 10.8149 k = 0.1319 0.1866 0.3232 ( 10396 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -1.6390 -1.6390 0.7186 0.7186 0.7991 0.7991 0.8168 0.8168 3.1902 3.1902 3.2241 3.2241 3.2825 3.2825 3.3434 3.3434 3.4019 3.4019 3.4804 3.4804 5.1113 5.1113 5.1583 5.1583 5.5387 5.5387 5.8810 5.8810 5.8938 5.8938 6.0709 6.0709 7.1102 7.1102 7.5897 7.5897 7.5964 7.5964 7.9084 7.9084 8.0797 8.0797 8.9489 8.9489 9.0003 9.0003 10.3914 10.3914 10.6791 10.6791 10.8120 10.8120 k = 0.1389 0.1964 0.3402 ( 10390 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -1.5801 -1.5801 0.6340 0.6340 0.7201 0.7201 0.7398 0.7398 3.2284 3.2284 3.2663 3.2663 3.3326 3.3326 3.3864 3.3864 3.4673 3.4673 3.5362 3.5362 5.1028 5.1028 5.1539 5.1539 5.5446 5.5446 5.9608 5.9608 5.9802 5.9802 6.0919 6.0919 7.0393 7.0393 7.5117 7.5117 7.5309 7.5309 7.8485 7.8485 8.0299 8.0299 8.9297 8.9297 8.9869 8.9869 10.3652 10.3652 10.6179 10.6179 10.8081 10.8081 k = 0.1458 0.2062 0.3572 ( 10384 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -1.5184 -1.5184 0.5518 0.5518 0.6438 0.6438 0.6653 0.6653 3.2683 3.2683 3.3093 3.3093 3.3849 3.3849 3.4322 3.4322 3.5357 3.5357 3.5949 3.5949 5.0817 5.0817 5.1361 5.1361 5.5163 5.5163 6.0403 6.0403 6.0720 6.0720 6.1396 6.1396 6.9744 6.9744 7.4209 7.4209 7.4420 7.4420 7.8099 7.8099 7.9913 7.9913 8.9227 8.9227 8.9855 8.9855 10.3246 10.3246 10.5673 10.5673 10.8015 10.8015 k = 0.1528 0.2161 0.3742 ( 10381 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -1.4538 -1.4538 0.4720 0.4720 0.5702 0.5702 0.5933 0.5933 3.3098 3.3098 3.3529 3.3529 3.4393 3.4393 3.4810 3.4810 3.6071 3.6071 3.6563 3.6563 5.0535 5.0535 5.1106 5.1106 5.4671 5.4671 6.1074 6.1074 6.1577 6.1577 6.1944 6.1944 6.9219 6.9219 7.3264 7.3264 7.3427 7.3427 7.7884 7.7884 7.9640 7.9640 8.9247 8.9247 8.9930 8.9930 10.2764 10.2764 10.5247 10.5247 10.7897 10.7897 k = 0.1597 0.2259 0.3912 ( 10387 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -1.3864 -1.3864 0.3948 0.3948 0.4994 0.4994 0.5238 0.5238 3.3527 3.3527 3.3969 3.3969 3.4957 3.4957 3.5328 3.5328 3.6812 3.6812 3.7206 3.7206 5.0217 5.0217 5.0812 5.0812 5.4074 5.4074 6.1477 6.1477 6.2250 6.2250 6.2394 6.2394 6.8904 6.8904 7.2411 7.2411 7.2503 7.2503 7.7779 7.7779 7.9461 7.9461 8.9340 8.9340 9.0075 9.0075 10.2266 10.2266 10.4867 10.4867 10.7719 10.7719 k = 0.1667 0.2357 0.4082 ( 10396 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -1.3162 -1.3162 0.3203 0.3203 0.4313 0.4313 0.4569 0.4569 3.3969 3.3969 3.4411 3.4411 3.5539 3.5539 3.5873 3.5873 3.7578 3.7578 3.7879 3.7879 4.9886 4.9886 5.0504 5.0504 5.3431 5.3431 6.1505 6.1505 6.2588 6.2588 6.2592 6.2592 6.8864 6.8864 7.1794 7.1794 7.1814 7.1814 7.7752 7.7752 7.9358 7.9358 8.9500 8.9500 9.0282 9.0282 10.1794 10.1794 10.4518 10.4518 10.7489 10.7489 k = 0.1736 0.2455 0.4253 ( 10387 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -1.2433 -1.2433 0.2487 0.2487 0.3659 0.3659 0.3926 0.3926 3.4422 3.4422 3.4854 3.4854 3.6137 3.6137 3.6444 3.6444 3.8365 3.8365 3.8582 3.8582 4.9558 4.9558 5.0195 5.0195 5.2772 5.2772 6.1155 6.1155 6.2392 6.2392 6.2482 6.2482 6.9090 6.9090 7.1487 7.1487 7.1527 7.1527 7.7789 7.7789 7.9317 7.9317 8.9728 8.9728 9.0550 9.0550 10.1370 10.1370 10.4195 10.4195 10.7197 10.7197 k = 0.1806 0.2553 0.4423 ( 10405 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -1.1678 -1.1678 0.1799 0.1799 0.3033 0.3033 0.3310 0.3310 3.4884 3.4884 3.5295 3.5295 3.6749 3.6749 3.7039 3.7039 3.9162 3.9162 3.9323 3.9323 4.9245 4.9245 4.9899 4.9899 5.2113 5.2113 6.0509 6.0509 6.1779 6.1779 6.1901 6.1901 6.9502 6.9502 7.1528 7.1528 7.1613 7.1613 7.7890 7.7890 7.9332 7.9332 9.0031 9.0031 9.0880 9.0880 10.1000 10.1000 10.3907 10.3907 10.6812 10.6812 k = 0.1875 0.2652 0.4593 ( 10399 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -1.0897 -1.0897 0.1143 0.1143 0.2434 0.2434 0.2719 0.2719 3.5352 3.5352 3.5732 3.5732 3.7372 3.7372 3.7654 3.7654 3.9955 3.9955 4.0110 4.0110 4.8958 4.8958 4.9624 4.9624 5.1465 5.1465 5.9659 5.9659 6.0833 6.0833 6.0953 6.0953 7.0013 7.0013 7.1817 7.1817 7.1942 7.1942 7.8058 7.8058 7.9398 7.9398 9.0420 9.0420 9.1281 9.1281 10.0679 10.0679 10.3667 10.3667 10.6358 10.6358 k = 0.1944 0.2750 0.4763 ( 10408 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -1.0092 -1.0092 0.0519 0.0519 0.1863 0.1863 0.2156 0.2156 3.5821 3.5821 3.6162 3.6162 3.8001 3.8001 3.8288 3.8288 4.0742 4.0742 4.0936 4.0936 4.8704 4.8704 4.9376 4.9376 5.0838 5.0838 5.8676 5.8676 5.9676 5.9676 5.9770 5.9770 7.0555 7.0555 7.2208 7.2208 7.2378 7.2378 7.8297 7.8297 7.9510 7.9510 9.0905 9.0905 9.1758 9.1758 10.0390 10.0390 10.3495 10.3495 10.5854 10.5854 k = 0.2014 0.2848 0.4933 ( 10411 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -0.9265 -0.9265 -0.0070 -0.0070 0.1319 0.1319 0.1619 0.1619 3.6286 3.6286 3.6581 3.6581 3.8633 3.8633 3.8934 3.8934 4.1531 4.1531 4.1782 4.1782 4.8493 4.8493 4.9163 4.9163 5.0243 5.0243 5.7599 5.7599 5.8411 5.8411 5.8457 5.8457 7.1085 7.1085 7.2590 7.2590 7.2819 7.2819 7.8599 7.8599 7.9659 7.9659 9.1493 9.1493 9.2317 9.2317 10.0111 10.0111 10.3410 10.3410 10.5321 10.5321 k = 0.2083 0.2946 0.5103 ( 10393 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -0.8419 -0.8419 -0.0621 -0.0621 0.0803 0.0803 0.1109 0.1109 3.6740 3.6740 3.6982 3.6982 3.9260 3.9260 3.9590 3.9590 4.2311 4.2311 4.2632 4.2632 4.8336 4.8336 4.8989 4.8989 4.9699 4.9699 5.6442 5.6442 5.7081 5.7081 5.7122 5.7122 7.1576 7.1576 7.2905 7.2905 7.3205 7.3205 7.8947 7.8947 7.9831 7.9831 9.2187 9.2187 9.2960 9.2960 9.9816 9.9816 10.3427 10.3427 10.4788 10.4788 k = 0.2153 0.3044 0.5273 ( 10381 PWs) bands (ev): -64.5197 -64.5197 -35.9865 -35.9865 -26.2763 -26.2763 -26.2763 -26.2763 -0.7561 -0.7561 -0.1128 -0.1128 0.0316 0.0316 0.0625 0.0625 3.7174 3.7174 3.7359 3.7359 3.9876 3.9876 4.0248 4.0248 4.3042 4.3042 4.3485 4.3485 4.8240 4.8240 4.8861 4.8861 4.9243 4.9243 5.5204 5.5204 5.5689 5.5689 5.5882 5.5882 7.2014 7.2014 7.3135 7.3135 7.3510 7.3510 7.9310 7.9310 8.0009 8.0009 9.2977 9.2977 9.3677 9.3677 9.9486 9.9486 10.3538 10.3538 10.4292 10.4292 k = 0.2222 0.3143 0.5443 ( 10384 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -0.6703 -0.6703 -0.1578 -0.1578 -0.0143 -0.0143 0.0169 0.0169 3.7575 3.7575 3.7703 3.7703 4.0472 4.0472 4.0900 4.0900 4.3634 4.3634 4.4351 4.4351 4.8203 4.8203 4.8776 4.8776 4.8952 4.8952 5.3908 5.3908 5.4321 5.4321 5.4725 5.4725 7.2393 7.2393 7.3281 7.3281 7.3728 7.3728 7.9654 7.9654 8.0171 8.0171 9.3837 9.3837 9.4447 9.4447 9.9108 9.9108 10.3646 10.3646 10.3943 10.3943 k = 0.2292 0.3241 0.5613 ( 10396 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -0.5872 -0.5872 -0.1947 -0.1947 -0.0571 -0.0571 -0.0259 -0.0259 3.7927 3.7927 3.8001 3.8001 4.1038 4.1038 4.1537 4.1537 4.3961 4.3961 4.5245 4.5245 4.8210 4.8210 4.8727 4.8727 4.8943 4.8943 5.2619 5.2619 5.3025 5.3025 5.3649 5.3649 7.2709 7.2709 7.3355 7.3355 7.3868 7.3868 7.9953 7.9953 8.0302 8.0302 9.4722 9.4722 9.5227 9.5227 9.8673 9.8673 10.3428 10.3428 10.3698 10.3698 k = 0.2361 0.3339 0.5784 ( 10381 PWs) bands (ev): -64.5197 -64.5197 -35.9865 -35.9865 -26.2763 -26.2763 -26.2763 -26.2763 -0.5134 -0.5134 -0.2171 -0.2171 -0.0965 -0.0965 -0.0661 -0.0661 3.8210 3.8210 3.8240 3.8240 4.1558 4.1558 4.2141 4.2141 4.3934 4.3934 4.6170 4.6170 4.8269 4.8269 4.8672 4.8672 4.9255 4.9255 5.1423 5.1423 5.1878 5.1878 5.2657 5.2657 7.2964 7.2964 7.3372 7.3372 7.3943 7.3943 8.0186 8.0186 8.0390 8.0390 9.5562 9.5562 9.5955 9.5955 9.8171 9.8171 10.3242 10.3242 10.3573 10.3573 k = 0.2431 0.3437 0.5954 ( 10396 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -0.4627 -0.4627 -0.2131 -0.2131 -0.1307 -0.1307 -0.1035 -0.1035 3.8399 3.8399 3.8403 3.8403 4.2004 4.2004 4.2686 4.2686 4.3591 4.3591 4.7121 4.7121 4.8315 4.8315 4.8507 4.8507 4.9725 4.9725 5.0557 5.0557 5.1037 5.1037 5.1770 5.1770 7.3155 7.3155 7.3342 7.3342 7.3972 7.3972 8.0341 8.0341 8.0429 8.0429 9.6270 9.6270 9.6561 9.6561 9.7591 9.7591 10.3219 10.3219 10.3652 10.3652 k = 0.2500 0.3536 0.6124 ( 10420 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -0.4471 -0.4471 -0.1922 -0.1922 -0.1382 -0.1382 -0.1381 -0.1381 3.8466 3.8466 3.8466 3.8466 4.2246 4.2246 4.3126 4.3126 4.3126 4.3126 4.8035 4.8035 4.8114 4.8114 4.8114 4.8114 4.9759 4.9759 5.0689 5.0689 5.0689 5.0689 5.1183 5.1183 7.3276 7.3276 7.3276 7.3276 7.3975 7.3975 8.0417 8.0417 8.0417 8.0417 9.6698 9.6698 9.6992 9.6992 9.6992 9.6992 10.3292 10.3292 10.3909 10.3909 k = 0.2500 0.3536 0.6124 ( 10420 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -0.4471 -0.4471 -0.1922 -0.1922 -0.1382 -0.1382 -0.1381 -0.1381 3.8466 3.8466 3.8466 3.8466 4.2246 4.2246 4.3126 4.3126 4.3126 4.3126 4.8035 4.8035 4.8114 4.8114 4.8114 4.8114 4.9759 4.9759 5.0689 5.0689 5.0689 5.0689 5.1183 5.1183 7.3276 7.3276 7.3276 7.3276 7.3975 7.3975 8.0417 8.0417 8.0417 8.0417 9.6698 9.6698 9.6992 9.6992 9.6992 9.6992 10.3292 10.3292 10.3909 10.3909 k = 0.2569 0.3339 0.6124 ( 10393 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -0.4567 -0.4567 -0.2111 -0.2111 -0.1701 -0.1701 -0.0722 -0.0722 3.8379 3.8379 3.8402 3.8402 4.1839 4.1839 4.3028 4.3028 4.3387 4.3387 4.7488 4.7488 4.7645 4.7645 4.8991 4.8991 4.9874 4.9874 5.0435 5.0435 5.0791 5.0791 5.1856 5.1856 7.3179 7.3179 7.3315 7.3315 7.3981 7.3981 8.0358 8.0358 8.0415 8.0415 9.6064 9.6064 9.7121 9.7121 9.7248 9.7248 10.2982 10.2982 10.3812 10.3812 k = 0.2639 0.3143 0.6124 ( 10393 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -0.4765 -0.4765 -0.2382 -0.2382 -0.1992 -0.1992 0.0208 0.0208 3.8106 3.8106 3.8176 3.8176 4.0975 4.0975 4.3098 4.3098 4.3391 4.3391 4.7017 4.7017 4.7391 4.7391 4.9162 4.9162 5.0371 5.0371 5.0718 5.0718 5.1161 5.1161 5.2853 5.2853 7.3055 7.3055 7.3266 7.3266 7.4009 7.4009 8.0256 8.0256 8.0341 8.0341 9.5138 9.5138 9.7238 9.7238 9.7372 9.7372 10.2335 10.2335 10.3862 10.3862 k = 0.2708 0.2946 0.6124 ( 10399 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -0.4990 -0.4990 -0.2640 -0.2640 -0.2257 -0.2257 0.1237 0.1237 3.7624 3.7624 3.7755 3.7755 3.9958 3.9958 4.3031 4.3031 4.3165 4.3165 4.6854 4.6854 4.7463 4.7463 4.8743 4.8743 5.1339 5.1339 5.1370 5.1370 5.1695 5.1695 5.3925 5.3925 7.2909 7.2909 7.3138 7.3138 7.4060 7.4060 8.0118 8.0118 8.0205 8.0205 9.4080 9.4080 9.7255 9.7255 9.7420 9.7420 10.1691 10.1691 10.3757 10.3757 k = 0.2778 0.2750 0.6124 ( 10393 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -0.5213 -0.5213 -0.2875 -0.2875 -0.2493 -0.2493 0.2326 0.2326 3.6933 3.6933 3.7125 3.7125 3.8853 3.8853 4.2842 4.2842 4.2847 4.2847 4.6992 4.6992 4.7786 4.7786 4.8328 4.8328 5.2091 5.2091 5.2344 5.2344 5.2446 5.2446 5.5039 5.5039 7.2740 7.2740 7.2951 7.2951 7.4125 7.4125 7.9953 7.9953 8.0018 8.0018 9.2912 9.2912 9.7224 9.7224 9.7435 9.7435 10.1126 10.1126 10.3512 10.3512 k = 0.2847 0.2553 0.6124 ( 10402 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -0.5421 -0.5421 -0.3083 -0.3083 -0.2702 -0.2702 0.3457 0.3457 3.6061 3.6061 3.6302 3.6302 3.7686 3.7686 4.2552 4.2552 4.2618 4.2618 4.7285 4.7285 4.8023 4.8023 4.8254 4.8254 5.2919 5.2919 5.3081 5.3081 5.3564 5.3564 5.6178 5.6178 7.2550 7.2550 7.2715 7.2715 7.4201 7.4201 7.9770 7.9770 7.9792 7.9792 9.1660 9.1660 9.7179 9.7179 9.7446 9.7446 10.0651 10.0651 10.3192 10.3192 k = 0.2917 0.2357 0.6124 ( 10414 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -0.5606 -0.5606 -0.3265 -0.3265 -0.2883 -0.2883 0.4623 0.4623 3.5050 3.5050 3.5325 3.5325 3.6474 3.6474 4.2322 4.2322 4.2417 4.2417 4.7381 4.7381 4.8099 4.8099 4.8801 4.8801 5.3805 5.3805 5.3886 5.3886 5.4712 5.4712 5.7330 5.7330 7.2339 7.2339 7.2440 7.2440 7.4290 7.4290 7.9540 7.9540 7.9578 7.9578 9.0351 9.0351 9.7141 9.7141 9.7467 9.7467 10.0257 10.0257 10.2843 10.2843 k = 0.2986 0.2161 0.6124 ( 10414 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -0.5764 -0.5764 -0.3420 -0.3420 -0.3036 -0.3036 0.5819 0.5819 3.3945 3.3945 3.4241 3.4241 3.5230 3.5230 4.2154 4.2154 4.2253 4.2253 4.7198 4.7198 4.8584 4.8584 4.9394 4.9394 5.4737 5.4737 5.4747 5.4747 5.5886 5.5886 5.8484 5.8484 7.2107 7.2107 7.2130 7.2130 7.4396 7.4396 7.9278 7.9278 7.9388 7.9388 8.9009 8.9009 9.7120 9.7120 9.7503 9.7503 9.9932 9.9932 10.2495 10.2495 k = 0.3056 0.1964 0.6124 ( 10432 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -0.5895 -0.5895 -0.3547 -0.3547 -0.3162 -0.3162 0.7043 0.7043 3.2779 3.2779 3.3088 3.3088 3.3965 3.3965 4.2035 4.2035 4.2127 4.2127 4.7000 4.7000 4.9181 4.9181 5.0015 5.0015 5.5649 5.5649 5.5704 5.5704 5.7084 5.7084 5.9629 5.9629 7.1789 7.1789 7.1855 7.1855 7.4524 7.4524 7.9019 7.9019 7.9209 7.9209 8.7654 8.7654 9.7121 9.7121 9.7554 9.7554 9.9665 9.9665 10.2166 10.2166 k = 0.3125 0.1768 0.6124 ( 10411 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -0.5996 -0.5996 -0.3646 -0.3646 -0.3260 -0.3260 0.8293 0.8293 3.1577 3.1577 3.1895 3.1895 3.2688 3.2688 4.1953 4.1953 4.2034 4.2034 4.6834 4.6834 4.9820 4.9820 5.0653 5.0653 5.6582 5.6582 5.6697 5.6697 5.8306 5.8306 6.0751 6.0751 7.1423 7.1423 7.1582 7.1582 7.4684 7.4684 7.8776 7.8776 7.9051 7.9051 8.6301 8.6301 9.7140 9.7140 9.7614 9.7614 9.9444 9.9444 10.1871 10.1871 k = 0.3194 0.1571 0.6124 ( 10417 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -0.6067 -0.6067 -0.3718 -0.3718 -0.3330 -0.3330 0.9567 0.9567 3.0356 3.0356 3.0681 3.0681 3.1405 3.1405 4.1900 4.1900 4.1968 4.1968 4.6709 4.6709 5.0478 5.0478 5.1299 5.1299 5.7536 5.7536 5.7707 5.7707 5.9549 5.9549 6.1836 6.1836 7.1037 7.1037 7.1292 7.1292 7.4882 7.4882 7.8564 7.8564 7.8921 7.8921 8.4966 8.4966 9.7174 9.7174 9.7675 9.7675 9.9263 9.9263 10.1622 10.1622 k = 0.3264 0.1375 0.6124 ( 10426 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -0.6108 -0.6108 -0.3762 -0.3762 -0.3373 -0.3373 1.0863 1.0863 2.9128 2.9128 2.9459 2.9459 3.0123 3.0123 4.1871 4.1871 4.1927 4.1927 4.6624 4.6624 5.1144 5.1144 5.1946 5.1946 5.8500 5.8500 5.8725 5.8725 6.0811 6.0811 6.2864 6.2864 7.0642 7.0642 7.0989 7.0989 7.5128 7.5128 7.8394 7.8394 7.8827 7.8827 8.3664 8.3664 9.7216 9.7216 9.7730 9.7730 9.9114 9.9114 10.1429 10.1429 k = 0.3333 0.1179 0.6124 ( 10420 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -0.6117 -0.6117 -0.3778 -0.3778 -0.3388 -0.3388 1.2181 1.2181 2.7901 2.7901 2.8238 2.8238 2.8847 2.8847 4.1862 4.1862 4.1908 4.1908 4.6578 4.6578 5.1807 5.1807 5.2587 5.2587 5.9462 5.9462 5.9740 5.9740 6.2086 6.2086 6.3819 6.3819 7.0248 7.0248 7.0682 7.0682 7.5430 7.5430 7.8275 7.8275 7.8775 7.8775 8.2410 8.2410 9.7259 9.7259 9.7771 9.7771 9.8992 9.8992 10.1298 10.1298 k = 0.3403 0.0982 0.6124 ( 10438 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -0.6094 -0.6094 -0.3766 -0.3766 -0.3375 -0.3375 1.3517 1.3517 2.6680 2.6680 2.7023 2.7023 2.7581 2.7581 4.1871 4.1871 4.1909 4.1909 4.6570 4.6570 5.2460 5.2460 5.3215 5.3215 6.0409 6.0409 6.0736 6.0736 6.3365 6.3365 6.4682 6.4682 6.9872 6.9872 7.0380 7.0380 7.5789 7.5789 7.8219 7.8219 7.8770 7.8770 8.1232 8.1232 9.7296 9.7296 9.7796 9.7796 9.8891 9.8891 10.1235 10.1235 k = 0.3472 0.0786 0.6124 ( 10417 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -0.6040 -0.6040 -0.3727 -0.3727 -0.3334 -0.3334 1.4870 1.4870 2.5470 2.5470 2.5820 2.5820 2.6329 2.6329 4.1896 4.1896 4.1930 4.1930 4.6600 4.6600 5.3094 5.3094 5.3823 5.3823 6.1324 6.1324 6.1692 6.1692 6.4602 6.4602 6.5469 6.5469 6.9536 6.9536 7.0102 7.0102 7.6189 7.6189 7.8233 7.8233 7.8804 7.8804 8.0183 8.0183 9.7324 9.7324 9.7804 9.7804 9.8803 9.8803 10.1240 10.1240 k = 0.3542 0.0589 0.6124 ( 10423 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -0.5954 -0.5954 -0.3660 -0.3660 -0.3266 -0.3266 1.6236 1.6236 2.4274 2.4274 2.4632 2.4632 2.5096 2.5096 4.1937 4.1937 4.1969 4.1969 4.6667 4.6667 5.3699 5.3699 5.4403 5.4403 6.2185 6.2185 6.2575 6.2575 6.5584 6.5584 6.6368 6.6368 6.9268 6.9268 6.9867 6.9867 7.6556 7.6556 7.8326 7.8326 7.8793 7.8793 7.9452 7.9452 9.7343 9.7343 9.7799 9.7799 9.8718 9.8718 10.1307 10.1307 k = 0.3611 0.0393 0.6124 ( 10429 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -0.5836 -0.5836 -0.3565 -0.3565 -0.3171 -0.3171 1.7603 1.7603 2.3097 2.3097 2.3462 2.3462 2.3893 2.3893 4.1992 4.1992 4.2026 4.2026 4.6769 4.6769 5.4265 5.4265 5.4946 5.4946 6.2965 6.2965 6.3340 6.3340 6.6109 6.6109 6.7561 6.7561 6.9110 6.9110 6.9705 6.9705 7.6660 7.6660 7.8505 7.8505 7.8624 7.8624 7.9404 7.9404 9.7357 9.7357 9.7790 9.7790 9.8617 9.8617 10.1426 10.1426 k = 0.3681 0.0196 0.6124 ( 10423 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -0.5686 -0.5686 -0.3443 -0.3443 -0.3047 -0.3047 1.8935 1.8935 2.1946 2.1946 2.2310 2.2310 2.2751 2.2751 4.2062 4.2062 4.2100 4.2100 4.6906 4.6906 5.4783 5.4783 5.5442 5.5442 6.3632 6.3632 6.3926 6.3926 6.6362 6.6362 6.8803 6.8803 6.9152 6.9152 6.9647 6.9647 7.6318 7.6318 7.8778 7.8778 7.8821 7.8821 7.9720 7.9720 9.7373 9.7373 9.7784 9.7784 9.8469 9.8469 10.1577 10.1577 k = 0.3750-0.0000 0.6124 ( 10417 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -0.5504 -0.5504 -0.3293 -0.3293 -0.2897 -0.2897 1.9972 1.9972 2.0873 2.0873 2.1180 2.1180 2.1878 2.1878 4.2145 4.2145 4.2190 4.2190 4.7077 4.7077 5.5240 5.5240 5.5881 5.5881 6.4160 6.4160 6.4287 6.4287 6.6409 6.6409 6.9247 6.9247 6.9722 6.9722 7.0194 7.0194 7.5819 7.5819 7.9154 7.9154 7.9282 7.9282 8.0224 8.0224 9.7399 9.7399 9.7789 9.7789 9.8237 9.8237 10.1719 10.1719 k = 0.3819-0.0196 0.6124 ( 10405 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -0.5290 -0.5290 -0.3116 -0.3116 -0.2719 -0.2719 1.9510 1.9510 2.0008 2.0008 2.0071 2.0071 2.2352 2.2352 4.2241 4.2241 4.2297 4.2297 4.7282 4.7282 5.5624 5.5624 5.6254 5.6254 6.4427 6.4427 6.4536 6.4536 6.6254 6.6254 6.9650 6.9650 6.9944 6.9944 7.1441 7.1441 7.5406 7.5406 7.9639 7.9639 7.9823 7.9823 8.0865 8.0865 9.7441 9.7441 9.7815 9.7815 9.7889 9.7889 10.1740 10.1740 k = 0.3889-0.0393 0.6124 ( 10420 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -0.5044 -0.5044 -0.2912 -0.2912 -0.2514 -0.2514 1.8445 1.8445 1.8979 1.8979 1.8986 1.8986 2.3647 2.3647 4.2348 4.2348 4.2418 4.2418 4.7518 4.7518 5.5925 5.5925 5.6551 5.6551 6.4384 6.4384 6.4778 6.4778 6.5932 6.5932 7.0204 7.0204 7.0296 7.0296 7.2555 7.2555 7.5215 7.5215 8.0237 8.0237 8.0424 8.0424 8.1564 8.1564 9.7407 9.7407 9.7543 9.7543 9.7866 9.7866 10.1596 10.1596 k = 0.3958-0.0589 0.6124 ( 10426 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -0.4766 -0.4766 -0.2681 -0.2681 -0.2282 -0.2282 1.7355 1.7355 1.7908 1.7908 1.7924 1.7924 2.5066 2.5066 4.2466 4.2466 4.2552 4.2552 4.7785 4.7785 5.6135 5.6135 5.6767 5.6767 6.4162 6.4162 6.4925 6.4925 6.5545 6.5545 7.0743 7.0743 7.0840 7.0840 7.3319 7.3319 7.5431 7.5431 8.0950 8.0950 8.1105 8.1105 8.2250 8.2250 9.6966 9.6966 9.7623 9.7623 9.7949 9.7949 10.1488 10.1488 k = 0.4028-0.0786 0.6124 ( 10408 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -0.4457 -0.4457 -0.2424 -0.2424 -0.2023 -0.2023 1.6271 1.6271 1.6847 1.6847 1.6887 1.6887 2.6523 2.6523 4.2594 4.2594 4.2700 4.2700 4.8082 4.8082 5.6250 5.6250 5.6899 5.6899 6.3705 6.3705 6.5017 6.5017 6.5243 6.5243 7.1245 7.1245 7.1500 7.1500 7.3598 7.3598 7.6116 7.6116 8.1776 8.1776 8.1877 8.1877 8.2889 8.2889 9.6611 9.6611 9.7757 9.7757 9.8067 9.8067 10.1489 10.1489 k = 0.4097-0.0982 0.6124 ( 10408 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -0.4115 -0.4115 -0.2140 -0.2140 -0.1738 -0.1738 1.5201 1.5201 1.5810 1.5810 1.5876 1.5876 2.7996 2.7996 4.2730 4.2730 4.2859 4.2859 4.8405 4.8405 5.6271 5.6271 5.6949 5.6949 6.3015 6.3015 6.5088 6.5088 6.5092 6.5092 7.1770 7.1770 7.2148 7.2148 7.3627 7.3627 7.6932 7.6932 8.2708 8.2708 8.2738 8.2738 8.3507 8.3507 9.6453 9.6453 9.7930 9.7930 9.8224 9.8224 10.1576 10.1576 k = 0.4167-0.1179 0.6124 ( 10399 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -0.3743 -0.3743 -0.1830 -0.1830 -0.1426 -0.1426 1.4146 1.4146 1.4803 1.4803 1.4891 1.4891 2.9479 2.9479 4.2873 4.2873 4.3027 4.3027 4.8753 4.8753 5.6208 5.6208 5.6925 5.6925 6.2174 6.2174 6.5050 6.5050 6.5154 6.5154 7.2297 7.2297 7.2762 7.2762 7.3574 7.3574 7.7584 7.7584 8.3665 8.3665 8.3739 8.3739 8.4204 8.4204 9.6536 9.6536 9.8144 9.8144 9.8422 9.8422 10.1724 10.1724 k = 0.4236-0.1375 0.6124 ( 10417 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -0.3339 -0.3339 -0.1495 -0.1495 -0.1089 -0.1089 1.3108 1.3108 1.3827 1.3827 1.3933 1.3933 3.0964 3.0964 4.3021 4.3021 4.3204 4.3204 4.9121 4.9121 5.6073 5.6073 5.6837 5.6837 6.1252 6.1252 6.5074 6.5074 6.5225 6.5225 7.2814 7.2814 7.3279 7.3279 7.3528 7.3528 7.7924 7.7924 8.4644 8.4644 8.4857 8.4857 8.5101 8.5101 9.6848 9.6848 9.8397 9.8397 9.8661 9.8661 10.1906 10.1906 k = 0.4306-0.1571 0.6124 ( 10405 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -0.2905 -0.2905 -0.1135 -0.1135 -0.0727 -0.0727 1.2090 1.2090 1.2883 1.2883 1.3004 1.3004 3.2448 3.2448 4.3171 4.3171 4.3385 4.3385 4.9502 4.9502 5.5880 5.5880 5.6698 5.6698 6.0287 6.0287 6.5138 6.5138 6.5301 6.5301 7.3243 7.3243 7.3313 7.3313 7.3928 7.3928 7.7942 7.7942 8.5731 8.5731 8.6050 8.6050 8.6189 8.6189 9.7328 9.7328 9.8687 9.8687 9.8940 9.8940 10.2104 10.2104 k = 0.4375-0.1768 0.6124 ( 10402 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -0.2439 -0.2439 -0.0752 -0.0752 -0.0340 -0.0340 1.1093 1.1093 1.1973 1.1973 1.2103 1.2103 3.3926 3.3926 4.3321 4.3321 4.3570 4.3570 4.9887 4.9887 5.5645 5.5645 5.6524 5.6524 5.9307 5.9307 6.5225 6.5225 6.5380 6.5380 7.2985 7.2985 7.3789 7.3789 7.4415 7.4415 7.7739 7.7739 8.6965 8.6965 8.7306 8.7306 8.7393 8.7393 9.7898 9.7898 9.9006 9.9006 9.9254 9.9254 10.2297 10.2297 k = 0.4444-0.1964 0.6124 ( 10402 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -0.1944 -0.1944 -0.0347 -0.0347 0.0069 0.0069 1.0119 1.0119 1.1098 1.1098 1.1234 1.1234 3.5390 3.5390 4.3469 4.3469 4.3754 4.3754 5.0263 5.0263 5.5379 5.5379 5.6328 5.6328 5.8337 5.8337 6.5323 6.5323 6.5458 6.5458 7.2604 7.2604 7.4235 7.4235 7.4862 7.4862 7.7449 7.7449 8.8319 8.8319 8.8612 8.8612 8.8675 8.8675 9.8472 9.8472 9.9341 9.9341 9.9594 9.9594 10.2469 10.2469 k = 0.4514-0.2161 0.6124 ( 10375 PWs) bands (ev): -64.5197 -64.5197 -35.9865 -35.9865 -26.2763 -26.2763 -26.2763 -26.2763 -0.1419 -0.1419 0.0077 0.0077 0.0499 0.0499 0.9169 0.9169 1.0259 1.0259 1.0397 1.0397 3.6835 3.6835 4.3611 4.3611 4.3933 4.3933 5.0607 5.0607 5.5089 5.5089 5.6123 5.6123 5.7410 5.7410 6.5421 6.5421 6.5532 6.5532 7.2097 7.2097 7.4647 7.4647 7.5256 7.5256 7.7178 7.7178 8.9745 8.9745 8.9957 8.9957 9.0017 9.0017 9.8973 9.8973 9.9670 9.9670 9.9946 9.9946 10.2609 10.2609 k = 0.4583-0.2357 0.6124 ( 10375 PWs) bands (ev): -64.5197 -64.5197 -35.9865 -35.9865 -26.2763 -26.2763 -26.2763 -26.2763 -0.0865 -0.0865 0.0518 0.0518 0.0947 0.0947 0.8244 0.8244 0.9462 0.9462 0.9597 0.9597 3.8252 3.8252 4.3744 4.3744 4.4105 4.4105 5.0881 5.0881 5.4765 5.4765 5.5921 5.5921 5.6581 5.6581 6.5515 6.5515 6.5600 6.5600 7.1488 7.1488 7.5020 7.5020 7.5586 7.5586 7.6985 7.6985 9.1198 9.1198 9.1329 9.1329 9.1415 9.1415 9.9350 9.9350 9.9966 9.9966 10.0284 10.0284 10.2705 10.2705 k = 0.4653-0.2553 0.6124 ( 10381 PWs) bands (ev): -64.5197 -64.5197 -35.9865 -35.9865 -26.2763 -26.2763 -26.2763 -26.2763 -0.0285 -0.0285 0.0969 0.0969 0.1407 0.1407 0.7346 0.7346 0.8711 0.8711 0.8838 0.8838 3.9627 3.9627 4.3865 4.3865 4.4265 4.4265 5.1026 5.1026 5.4395 5.4395 5.5731 5.5731 5.5932 5.5932 6.5598 6.5598 6.5659 6.5659 7.0824 7.0824 7.5347 7.5347 7.5836 7.5836 7.6894 7.6894 9.2634 9.2634 9.2714 9.2714 9.2870 9.2870 9.9581 9.9581 10.0205 10.0205 10.0576 10.0576 10.2730 10.2730 k = 0.4722-0.2750 0.6124 ( 10372 PWs) bands (ev): -64.5197 -64.5197 -35.9865 -35.9865 -26.2763 -26.2763 -26.2763 -26.2763 0.0318 0.0318 0.1424 0.1424 0.1872 0.1872 0.6476 0.6476 0.8017 0.8017 0.8129 0.8129 4.0941 4.0941 4.3970 4.3970 4.4410 4.4410 5.0955 5.0955 5.4009 5.4009 5.5523 5.5523 5.5564 5.5564 6.5669 6.5669 6.5709 6.5709 7.0168 7.0168 7.5624 7.5624 7.5996 7.5996 7.6899 7.6899 9.4043 9.4043 9.4099 9.4099 9.4347 9.4347 9.9686 9.9686 10.0370 10.0370 10.0778 10.0778 10.2615 10.2615 k = 0.4792-0.2946 0.6124 ( 10351 PWs) bands (ev): -64.5197 -64.5197 -35.9865 -35.9865 -26.2763 -26.2763 -26.2763 -26.2763 0.0936 0.0936 0.1870 0.1870 0.2324 0.2324 0.5637 0.5637 0.7399 0.7399 0.7486 0.7486 4.2159 4.2159 4.4056 4.4056 4.4538 4.4538 5.0613 5.0613 5.3709 5.3709 5.5321 5.5321 5.5425 5.5425 6.5725 6.5725 6.5747 6.5747 6.9579 6.9579 7.5845 7.5845 7.6080 7.6080 7.6968 7.6968 9.5424 9.5424 9.5466 9.5466 9.5796 9.5796 9.9708 9.9708 10.0449 10.0449 10.0839 10.0839 10.2264 10.2264 k = 0.4861-0.3143 0.6124 ( 10348 PWs) bands (ev): -64.5197 -64.5197 -35.9865 -35.9865 -26.2763 -26.2763 -26.2763 -26.2763 0.1541 0.1541 0.2298 0.2298 0.2733 0.2733 0.4834 0.4834 0.6888 0.6888 0.6941 0.6941 4.3210 4.3210 4.4119 4.4119 4.4657 4.4657 5.0074 5.0074 5.3539 5.3539 5.5248 5.5248 5.5322 5.5322 6.5765 6.5765 6.5775 6.5775 6.9113 6.9113 7.6007 7.6007 7.6117 7.6117 7.7050 7.7050 9.6764 9.6764 9.6789 9.6789 9.7154 9.7154 9.9690 9.9690 10.0413 10.0413 10.0677 10.0677 10.1653 10.1653 k = 0.4931-0.3339 0.6124 ( 10348 PWs) bands (ev): -64.5197 -64.5197 -35.9865 -35.9865 -26.2763 -26.2763 -26.2763 -26.2763 0.2036 0.2036 0.2739 0.2739 0.3040 0.3040 0.4081 0.4081 0.6536 0.6536 0.6553 0.6553 4.3935 4.3935 4.4159 4.4159 4.4795 4.4795 4.9547 4.9547 5.3460 5.3460 5.5235 5.5235 5.5258 5.5258 6.5789 6.5789 6.5792 6.5792 6.8813 6.8813 7.6105 7.6105 7.6133 7.6133 7.7111 7.7111 9.8020 9.8020 9.8020 9.8020 9.8304 9.8304 9.9649 9.9649 10.0134 10.0134 10.0181 10.0181 10.0959 10.0959 k = 0.5000-0.3536 0.6124 ( 10390 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 0.2228 0.2228 0.3158 0.3158 0.3158 0.3158 0.3542 0.3542 0.6407 0.6407 0.6407 0.6407 4.4172 4.4172 4.4172 4.4172 4.4896 4.4896 4.9316 4.9316 5.3437 5.3437 5.5236 5.5236 5.5237 5.5237 6.5797 6.5797 6.5798 6.5798 6.8710 6.8710 7.6138 7.6138 7.6138 7.6138 7.7133 7.7133 9.8843 9.8843 9.8843 9.8843 9.8909 9.8909 9.9595 9.9595 9.9595 9.9595 9.9602 9.9602 10.0638 10.0638 k = 0.2500 0.3536 0.6124 ( 10420 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -0.4471 -0.4471 -0.1922 -0.1922 -0.1382 -0.1382 -0.1381 -0.1381 3.8466 3.8466 3.8466 3.8466 4.2246 4.2246 4.3126 4.3126 4.3126 4.3126 4.8035 4.8035 4.8114 4.8114 4.8114 4.8114 4.9759 4.9759 5.0689 5.0689 5.0689 5.0689 5.1183 5.1183 7.3276 7.3276 7.3276 7.3276 7.3975 7.3975 8.0417 8.0417 8.0417 8.0417 9.6698 9.6698 9.6992 9.6992 9.6992 9.6992 10.3292 10.3292 10.3909 10.3909 k = 0.2381 0.3367 0.6124 ( 10398 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -0.4588 -0.4588 -0.2203 -0.2203 -0.1408 -0.1408 -0.0902 -0.0902 3.8350 3.8350 3.8445 3.8445 4.1911 4.1911 4.2835 4.2835 4.3529 4.3529 4.7210 4.7210 4.8115 4.8115 4.8666 4.8666 4.9865 4.9865 5.0462 5.0462 5.0897 5.0897 5.1827 5.1827 7.3169 7.3169 7.3327 7.3327 7.3977 7.3977 8.0331 8.0331 8.0441 8.0441 9.6139 9.6139 9.6849 9.6849 9.7440 9.7440 10.3152 10.3152 10.3559 10.3559 k = 0.2262 0.3199 0.6124 ( 10386 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -0.4887 -0.4887 -0.2689 -0.2689 -0.1046 -0.1046 -0.0313 -0.0313 3.8008 3.8008 3.8383 3.8383 4.1140 4.1140 4.2562 4.2562 4.3913 4.3913 4.6414 4.6414 4.8195 4.8195 4.8683 4.8683 4.9690 4.9690 5.0930 5.0930 5.1641 5.1641 5.2845 5.2845 7.3023 7.3023 7.3306 7.3306 7.3985 7.3985 8.0115 8.0115 8.0474 8.0474 9.5298 9.5298 9.6654 9.6654 9.7716 9.7716 10.2772 10.2772 10.3313 10.3313 k = 0.2143 0.3030 0.6124 ( 10394 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -0.5279 -0.5279 -0.3181 -0.3181 -0.0517 -0.0517 0.0317 0.0317 3.7458 3.7458 3.8283 3.8283 4.0138 4.0138 4.2203 4.2203 4.4211 4.4211 4.5797 4.5797 4.8308 4.8308 4.8538 4.8538 4.9608 4.9608 5.1435 5.1435 5.2914 5.2914 5.3994 5.3994 7.2847 7.2847 7.3205 7.3205 7.4000 7.4000 7.9768 7.9768 8.0521 8.0521 9.4369 9.4369 9.6336 9.6336 9.7745 9.7745 10.2114 10.2114 10.3540 10.3540 k = 0.2024 0.2862 0.6124 ( 10390 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -0.5704 -0.5704 -0.3654 -0.3654 0.0107 0.0107 0.0978 0.0978 3.6722 3.6722 3.8146 3.8146 3.8990 3.8990 4.1775 4.1775 4.4364 4.4364 4.5394 4.5394 4.8239 4.8239 4.8630 4.8630 4.9755 4.9755 5.1940 5.1940 5.4372 5.4372 5.5223 5.5223 7.2649 7.2649 7.3029 7.3029 7.4014 7.4014 7.9304 7.9304 8.0574 8.0574 9.3393 9.3393 9.5902 9.5902 9.7587 9.7587 10.1482 10.1482 10.4027 10.4027 k = 0.1905 0.2694 0.6124 ( 10388 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -0.6135 -0.6135 -0.4103 -0.4103 0.0794 0.0794 0.1667 0.1667 3.5830 3.5830 3.7686 3.7686 3.8045 3.8045 4.1320 4.1320 4.4291 4.4291 4.5250 4.5250 4.8076 4.8076 4.8944 4.8944 5.0078 5.0078 5.2467 5.2467 5.5906 5.5906 5.6498 5.6498 7.2437 7.2437 7.2789 7.2789 7.4017 7.4017 7.8739 7.8739 8.0627 8.0627 9.2394 9.2394 9.5376 9.5376 9.7324 9.7324 10.0948 10.0948 10.4658 10.4658 k = 0.1786 0.2525 0.6124 ( 10392 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -0.6558 -0.6558 -0.4527 -0.4527 0.1529 0.1529 0.2383 0.2383 3.4814 3.4814 3.6408 3.6408 3.7844 3.7844 4.0866 4.0866 4.4059 4.4059 4.5258 4.5258 4.7966 4.7966 4.9358 4.9358 5.0528 5.0528 5.3014 5.3014 5.7476 5.7476 5.7793 5.7793 7.2215 7.2215 7.2494 7.2494 7.4003 7.4003 7.8094 7.8094 8.0669 8.0669 9.1394 9.1394 9.4791 9.4791 9.7015 9.7015 10.0523 10.0523 10.5345 10.5345 k = 0.1667 0.2357 0.6124 ( 10404 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -0.6963 -0.6963 -0.4924 -0.4924 0.2303 0.2303 0.3125 0.3125 3.3704 3.3704 3.5076 3.5076 3.7658 3.7658 4.0433 4.0433 4.3796 4.3796 4.5267 4.5267 4.7938 4.7938 4.9850 4.9850 5.1072 5.1072 5.3578 5.3578 5.9054 5.9054 5.9092 5.9092 7.1979 7.1979 7.2163 7.2163 7.3968 7.3968 7.7390 7.7390 8.0694 8.0694 9.0407 9.0407 9.4189 9.4189 9.6698 9.6698 10.0193 10.0193 10.5995 10.5995 k = 0.1548 0.2189 0.6124 ( 10396 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -0.7347 -0.7347 -0.5294 -0.5294 0.3113 0.3113 0.3891 0.3891 3.2527 3.2527 3.3730 3.3730 3.7469 3.7469 4.0027 4.0027 4.3545 4.3545 4.5226 4.5226 4.7994 4.7994 5.0402 5.0402 5.1690 5.1690 5.4156 5.4156 6.0360 6.0360 6.0632 6.0632 7.1654 7.1654 7.1888 7.1888 7.3907 7.3907 7.6648 7.6648 8.0700 8.0700 8.9446 8.9446 9.3604 9.3604 9.6393 9.6393 9.9937 9.9937 10.6485 10.6485 k = 0.1429 0.2020 0.6124 ( 10408 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -0.7707 -0.7707 -0.5638 -0.5638 0.3954 0.3954 0.4682 0.4682 3.1305 3.1305 3.2385 3.2385 3.7280 3.7280 3.9651 3.9651 4.3314 4.3314 4.5136 4.5136 4.8119 4.8119 5.1005 5.1005 5.2368 5.2368 5.4744 5.4744 6.1594 6.1594 6.2161 6.2161 7.1203 7.1203 7.1727 7.1727 7.3819 7.3819 7.5890 7.5890 8.0690 8.0690 8.8525 8.8525 9.3061 9.3061 9.6108 9.6108 9.9738 9.9738 10.6676 10.6676 k = 0.1310 0.1852 0.6124 ( 10412 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -0.8041 -0.8041 -0.5954 -0.5954 0.4825 0.4825 0.5497 0.5497 3.0055 3.0055 3.1048 3.1048 3.7096 3.7096 3.9306 3.9306 4.3105 4.3105 4.5011 4.5011 4.8294 4.8294 5.1650 5.1650 5.3094 5.3094 5.5339 5.5339 6.2767 6.2767 6.3598 6.3598 7.0677 7.0677 7.1666 7.1666 7.3697 7.3697 7.5145 7.5145 8.0673 8.0673 8.7651 8.7651 9.2575 9.2575 9.5847 9.5847 9.9580 9.9580 10.6493 10.6493 k = 0.1190 0.1684 0.6124 ( 10416 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -0.8348 -0.8348 -0.6243 -0.6243 0.5722 0.5722 0.6335 0.6335 2.8789 2.8789 2.9725 2.9725 3.6918 3.6918 3.8991 3.8991 4.2918 4.2918 4.4869 4.4869 4.8497 4.8497 5.2330 5.2330 5.3861 5.3861 5.5934 5.5934 6.3852 6.3852 6.4873 6.4873 7.0087 7.0087 7.1743 7.1743 7.3520 7.3520 7.4474 7.4474 8.0666 8.0666 8.6836 8.6836 9.2148 9.2148 9.5610 9.5610 9.9452 9.9452 10.5926 10.5926 k = 0.1071 0.1515 0.6124 ( 10392 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -0.8627 -0.8627 -0.6504 -0.6504 0.6646 0.6646 0.7194 0.7194 2.7517 2.7517 2.8422 2.8422 3.6752 3.6752 3.8707 3.8707 4.2750 4.2750 4.4721 4.4721 4.8714 4.8714 5.3040 5.3040 5.4661 5.4661 5.6526 5.6526 6.4820 6.4820 6.5886 6.5886 6.9442 6.9442 7.1975 7.1975 7.3200 7.3200 7.4052 7.4052 8.0689 8.0689 8.6088 8.6088 9.1773 9.1773 9.5397 9.5397 9.9346 9.9346 10.5018 10.5018 k = 0.0952 0.1347 0.6124 ( 10400 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -0.8879 -0.8879 -0.6738 -0.6738 0.7591 0.7591 0.8074 0.8074 2.6246 2.6246 2.7142 2.7142 3.6597 3.6597 3.8454 3.8454 4.2602 4.2602 4.4576 4.4576 4.8934 4.8934 5.3776 5.3776 5.5487 5.5487 5.7108 5.7108 6.5624 6.5624 6.6568 6.6568 6.8759 6.8759 7.2157 7.2157 7.2781 7.2781 7.4132 7.4132 8.0763 8.0763 8.5414 8.5414 9.1437 9.1437 9.5201 9.5201 9.9255 9.9255 10.3854 10.3854 k = 0.0833 0.1179 0.6124 ( 10392 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -0.9101 -0.9101 -0.6945 -0.6945 0.8555 0.8555 0.8973 0.8973 2.4983 2.4983 2.5892 2.5892 3.6457 3.6457 3.8230 3.8230 4.2473 4.2473 4.4441 4.4441 4.9146 4.9146 5.4531 5.4531 5.6332 5.6332 5.7672 5.7672 6.6182 6.6182 6.6937 6.6937 6.8086 6.8086 7.1832 7.1832 7.2609 7.2609 7.4837 7.4837 8.0904 8.0904 8.4824 8.4824 9.1124 9.1124 9.5017 9.5017 9.9174 9.9174 10.2523 10.2523 k = 0.0714 0.1010 0.6124 ( 10406 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -0.9294 -0.9294 -0.7124 -0.7124 0.9531 0.9531 0.9890 0.9890 2.3731 2.3731 2.4680 2.4680 3.6334 3.6334 3.8036 3.8036 4.2361 4.2361 4.4319 4.4319 4.9344 4.9344 5.5300 5.5300 5.7189 5.7189 5.8208 5.8208 6.6313 6.6313 6.7054 6.7054 6.7600 6.7600 7.1353 7.1353 7.2451 7.2451 7.5994 7.5994 8.1113 8.1113 8.4323 8.4323 9.0822 9.0822 9.4832 9.4832 9.9094 9.9094 10.1114 10.1114 k = 0.0595 0.0842 0.6124 ( 10398 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -0.9458 -0.9458 -0.7276 -0.7276 1.0501 1.0501 1.0831 1.0831 2.2497 2.2497 2.3515 2.3515 3.6227 3.6227 3.7872 3.7872 4.2267 4.2267 4.4213 4.4213 4.9522 4.9522 5.6071 5.6071 5.8049 5.8049 5.8705 5.8705 6.5874 6.5874 6.6944 6.6944 6.7477 6.7477 7.0985 7.0985 7.2244 7.2244 7.7357 7.7357 8.1377 8.1377 8.3924 8.3924 9.0521 9.0521 9.4623 9.4623 9.8965 9.8965 9.9759 9.9759 k = 0.0476 0.0673 0.6124 ( 10420 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -0.9592 -0.9592 -0.7400 -0.7400 1.1439 1.1439 1.1801 1.1801 2.1286 2.1286 2.2416 2.2416 3.6139 3.6139 3.7738 3.7738 4.2190 4.2190 4.4124 4.4124 4.9675 4.9675 5.6832 5.6832 5.8896 5.8896 5.9152 5.9152 6.5151 6.5151 6.6733 6.6733 6.7379 6.7379 7.0791 7.0791 7.2023 7.2023 7.8779 7.8779 8.1659 8.1659 8.3640 8.3640 9.0223 9.0223 9.4350 9.4350 9.8220 9.8220 9.9126 9.9126 k = 0.0357 0.0505 0.6124 ( 10418 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -0.9697 -0.9697 -0.7497 -0.7497 1.2307 1.2307 1.2800 1.2800 2.0109 2.0109 2.1411 2.1411 3.6069 3.6069 3.7634 3.7634 4.2131 4.2131 4.4055 4.4055 4.9799 4.9799 5.7554 5.7554 5.9512 5.9512 5.9737 5.9737 6.4364 6.4364 6.6415 6.6415 6.7227 6.7227 7.0741 7.0741 7.1813 7.1813 8.0147 8.0147 8.1902 8.1902 8.3490 8.3490 8.9938 8.9938 9.3945 9.3945 9.7178 9.7178 9.9036 9.9036 k = 0.0238 0.0337 0.6124 ( 10426 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -0.9771 -0.9771 -0.7566 -0.7566 1.3056 1.3056 1.3798 1.3798 1.8991 1.8991 2.0557 2.0557 3.6019 3.6019 3.7560 3.7560 4.2089 4.2089 4.4004 4.4004 4.9890 4.9890 5.8190 5.8190 5.9803 5.9803 6.0512 6.0512 6.3587 6.3587 6.6030 6.6030 6.7093 6.7093 7.0768 7.0768 7.1636 7.1636 8.1329 8.1329 8.2063 8.2063 8.3476 8.3476 8.9692 8.9692 9.3387 9.3387 9.6462 9.6462 9.8996 9.8996 k = 0.0119 0.0168 0.6124 ( 10408 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -0.9816 -0.9816 -0.7607 -0.7607 1.3597 1.3597 1.4702 1.4702 1.8017 1.8017 1.9950 1.9950 3.5989 3.5989 3.7515 3.7515 4.2063 4.2063 4.3974 4.3974 4.9946 4.9946 5.8653 5.8653 5.9987 5.9987 6.1210 6.1210 6.2875 6.2875 6.5702 6.5702 6.7009 6.7009 7.0811 7.0811 7.1512 7.1512 8.2009 8.2009 8.2291 8.2291 8.3540 8.3540 8.9520 8.9520 9.2845 9.2845 9.6098 9.6098 9.8975 9.8975 k = 0.0000 0.0000 0.6124 ( 10404 PWs) bands (ev): -64.5197 -64.5197 -35.9866 -35.9866 -26.2763 -26.2763 -26.2763 -26.2763 -0.9831 -0.9831 -0.7621 -0.7621 1.3801 1.3801 1.5160 1.5160 1.7536 1.7536 1.9723 1.9723 3.5979 3.5979 3.7500 3.7500 4.2055 4.2055 4.3963 4.3963 4.9965 4.9965 5.8828 5.8828 6.0051 6.0051 6.1625 6.1625 6.2452 6.2452 6.5570 6.5570 6.6981 6.6981 7.0832 7.0832 7.1466 7.1466 8.2072 8.2072 8.2552 8.2552 8.3581 8.3581 8.9457 8.9457 9.2616 9.2616 9.5992 9.5992 9.8968 9.8968 Writing output data file Al12W.save init_run : 0.49s CPU 0.69s WALL ( 1 calls) electrons : 350.80s CPU 353.76s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.04s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 350.80s CPU 353.75s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.19s CPU 0.29s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.26s CPU 0.25s WALL ( 201 calls) cegterg : 309.36s CPU 311.65s WALL ( 454 calls) Called by sum_band: Called by *egterg: h_psi : 212.12s CPU 214.03s WALL ( 7849 calls) s_psi : 26.86s CPU 26.74s WALL ( 7849 calls) g_psi : 0.54s CPU 0.54s WALL ( 7194 calls) cdiaghg : 62.14s CPU 62.83s WALL ( 7395 calls) cegterg:over : 13.15s CPU 13.12s WALL ( 7194 calls) cegterg:upda : 14.00s CPU 14.04s WALL ( 7194 calls) cegterg:last : 6.36s CPU 6.36s WALL ( 1052 calls) cdiaghg:chol : 3.64s CPU 3.67s WALL ( 7395 calls) cdiaghg:inve : 2.51s CPU 2.42s WALL ( 7395 calls) cdiaghg:para : 3.86s CPU 3.99s WALL ( 14790 calls) Called by h_psi: h_psi:vloc : 154.64s CPU 156.22s WALL ( 7849 calls) h_psi:vnl : 56.71s CPU 57.07s WALL ( 7849 calls) add_vuspsi : 30.50s CPU 30.98s WALL ( 7849 calls) General routines calbec : 26.18s CPU 26.06s WALL ( 7849 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 141.88s CPU 143.35s WALL ( 785408 calls) interpolate : 0.01s CPU 0.00s WALL ( 4 calls) davcio : 0.16s CPU 0.22s WALL ( 402 calls) Parallel routines fft_scatter : 48.36s CPU 48.56s WALL ( 785431 calls) PWSCF : 6m11.85s CPU 6m32.17s WALL This run was terminated on: 19:24:51 27Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=