Program PWSCF v.5.3.0 (svn rev. 11974) starts on 27Jan2017 at 19:19: 1 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: ./Al12Mo.save/ file Mo.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 98 63 18 3699 1932 289 Max 100 64 19 3701 1959 293 Sum 3539 2297 649 133187 70009 10473 bravais-lattice index = 14 lattice parameter (alat) = 12.3936 a.u. unit-cell volume = 1465.4479 (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 = 50.0000 Ry charge density cutoff = 307.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.393599 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 Mo read from file: /users/gautes/Pseudo/Mo.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 20113fa3d0a6ce27e798500ceb8a7ae4 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 1229 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 Mo 14.00 95.94000 Mo( 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 -0.2023810 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 0.2976191), 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 -0.4523810 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 0.2023810 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 0.0476191 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: 133187 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 70009 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.45 Mb ( 492, 60) NL pseudopotentials 1.66 Mb ( 246, 442) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.03 Mb ( 3700) G-vector shells 0.00 Mb ( 601) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.80 Mb ( 492, 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 : ./Al12Mo.save/charge-density.dat Starting wfc are 116 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.3 secs Computing kpt #: 2 total cpu time spent up to now is 4.6 secs Computing kpt #: 3 total cpu time spent up to now is 6.0 secs Computing kpt #: 4 total cpu time spent up to now is 7.3 secs Computing kpt #: 5 total cpu time spent up to now is 8.5 secs Computing kpt #: 6 total cpu time spent up to now is 9.9 secs Computing kpt #: 7 total cpu time spent up to now is 11.4 secs Computing kpt #: 8 total cpu time spent up to now is 13.3 secs Computing kpt #: 9 total cpu time spent up to now is 15.1 secs Computing kpt #: 10 total cpu time spent up to now is 16.7 secs Computing kpt #: 11 total cpu time spent up to now is 18.5 secs Computing kpt #: 12 total cpu time spent up to now is 20.3 secs Computing kpt #: 13 total cpu time spent up to now is 21.8 secs Computing kpt #: 14 total cpu time spent up to now is 23.3 secs Computing kpt #: 15 total cpu time spent up to now is 24.8 secs Computing kpt #: 16 total cpu time spent up to now is 26.6 secs Computing kpt #: 17 total cpu time spent up to now is 28.3 secs Computing kpt #: 18 total cpu time spent up to now is 30.0 secs Computing kpt #: 19 total cpu time spent up to now is 31.5 secs Computing kpt #: 20 total cpu time spent up to now is 33.1 secs Computing kpt #: 21 total cpu time spent up to now is 34.6 secs Computing kpt #: 22 total cpu time spent up to now is 36.5 secs Computing kpt #: 23 total cpu time spent up to now is 38.4 secs Computing kpt #: 24 total cpu time spent up to now is 40.2 secs Computing kpt #: 25 total cpu time spent up to now is 42.2 secs Computing kpt #: 26 total cpu time spent up to now is 44.6 secs Computing kpt #: 27 total cpu time spent up to now is 46.9 secs Computing kpt #: 28 total cpu time spent up to now is 48.9 secs Computing kpt #: 29 total cpu time spent up to now is 50.7 secs Computing kpt #: 30 total cpu time spent up to now is 52.6 secs Computing kpt #: 31 total cpu time spent up to now is 54.5 secs Computing kpt #: 32 total cpu time spent up to now is 56.5 secs Computing kpt #: 33 total cpu time spent up to now is 58.6 secs Computing kpt #: 34 total cpu time spent up to now is 60.5 secs Computing kpt #: 35 total cpu time spent up to now is 62.3 secs Computing kpt #: 36 total cpu time spent up to now is 63.9 secs Computing kpt #: 37 total cpu time spent up to now is 65.4 secs Computing kpt #: 38 total cpu time spent up to now is 66.8 secs Computing kpt #: 39 total cpu time spent up to now is 68.3 secs Computing kpt #: 40 total cpu time spent up to now is 70.0 secs Computing kpt #: 41 total cpu time spent up to now is 71.9 secs Computing kpt #: 42 total cpu time spent up to now is 73.8 secs Computing kpt #: 43 total cpu time spent up to now is 75.6 secs Computing kpt #: 44 total cpu time spent up to now is 77.5 secs Computing kpt #: 45 total cpu time spent up to now is 79.5 secs Computing kpt #: 46 total cpu time spent up to now is 81.2 secs Computing kpt #: 47 total cpu time spent up to now is 82.9 secs Computing kpt #: 48 total cpu time spent up to now is 84.8 secs Computing kpt #: 49 total cpu time spent up to now is 86.8 secs Computing kpt #: 50 total cpu time spent up to now is 89.5 secs Computing kpt #: 51 total cpu time spent up to now is 91.9 secs Computing kpt #: 52 total cpu time spent up to now is 94.3 secs Computing kpt #: 53 total cpu time spent up to now is 96.5 secs Computing kpt #: 54 total cpu time spent up to now is 98.5 secs Computing kpt #: 55 total cpu time spent up to now is 100.3 secs Computing kpt #: 56 total cpu time spent up to now is 102.2 secs Computing kpt #: 57 total cpu time spent up to now is 104.0 secs Computing kpt #: 58 total cpu time spent up to now is 105.6 secs Computing kpt #: 59 total cpu time spent up to now is 107.6 secs Computing kpt #: 60 total cpu time spent up to now is 109.8 secs Computing kpt #: 61 total cpu time spent up to now is 112.2 secs Computing kpt #: 62 total cpu time spent up to now is 114.1 secs Computing kpt #: 63 total cpu time spent up to now is 116.0 secs Computing kpt #: 64 total cpu time spent up to now is 117.6 secs Computing kpt #: 65 total cpu time spent up to now is 119.0 secs Computing kpt #: 66 total cpu time spent up to now is 120.3 secs Computing kpt #: 67 total cpu time spent up to now is 121.7 secs Computing kpt #: 68 total cpu time spent up to now is 122.8 secs Computing kpt #: 69 total cpu time spent up to now is 123.9 secs Computing kpt #: 70 total cpu time spent up to now is 125.0 secs Computing kpt #: 71 total cpu time spent up to now is 126.1 secs Computing kpt #: 72 total cpu time spent up to now is 127.4 secs Computing kpt #: 73 total cpu time spent up to now is 128.9 secs Computing kpt #: 74 total cpu time spent up to now is 130.0 secs Computing kpt #: 75 total cpu time spent up to now is 131.2 secs Computing kpt #: 76 total cpu time spent up to now is 132.3 secs Computing kpt #: 77 total cpu time spent up to now is 133.4 secs Computing kpt #: 78 total cpu time spent up to now is 134.5 secs Computing kpt #: 79 total cpu time spent up to now is 135.6 secs Computing kpt #: 80 total cpu time spent up to now is 136.7 secs Computing kpt #: 81 total cpu time spent up to now is 137.8 secs Computing kpt #: 82 total cpu time spent up to now is 138.9 secs Computing kpt #: 83 total cpu time spent up to now is 140.0 secs Computing kpt #: 84 total cpu time spent up to now is 141.1 secs Computing kpt #: 85 total cpu time spent up to now is 142.2 secs Computing kpt #: 86 total cpu time spent up to now is 143.3 secs Computing kpt #: 87 total cpu time spent up to now is 144.4 secs Computing kpt #: 88 total cpu time spent up to now is 145.5 secs Computing kpt #: 89 total cpu time spent up to now is 146.7 secs Computing kpt #: 90 total cpu time spent up to now is 147.8 secs Computing kpt #: 91 total cpu time spent up to now is 148.9 secs Computing kpt #: 92 total cpu time spent up to now is 150.0 secs Computing kpt #: 93 total cpu time spent up to now is 151.2 secs Computing kpt #: 94 total cpu time spent up to now is 152.3 secs Computing kpt #: 95 total cpu time spent up to now is 153.4 secs Computing kpt #: 96 total cpu time spent up to now is 154.8 secs Computing kpt #: 97 total cpu time spent up to now is 156.0 secs Computing kpt #: 98 total cpu time spent up to now is 157.2 secs Computing kpt #: 99 total cpu time spent up to now is 158.3 secs Computing kpt #: 100 total cpu time spent up to now is 159.5 secs Computing kpt #: 101 total cpu time spent up to now is 160.9 secs Computing kpt #: 102 total cpu time spent up to now is 162.2 secs Computing kpt #: 103 total cpu time spent up to now is 163.6 secs Computing kpt #: 104 total cpu time spent up to now is 164.9 secs Computing kpt #: 105 total cpu time spent up to now is 166.1 secs Computing kpt #: 106 total cpu time spent up to now is 167.2 secs Computing kpt #: 107 total cpu time spent up to now is 168.3 secs Computing kpt #: 108 total cpu time spent up to now is 169.7 secs Computing kpt #: 109 total cpu time spent up to now is 171.0 secs Computing kpt #: 110 total cpu time spent up to now is 172.2 secs Computing kpt #: 111 total cpu time spent up to now is 173.4 secs Computing kpt #: 112 total cpu time spent up to now is 174.6 secs Computing kpt #: 113 total cpu time spent up to now is 175.7 secs Computing kpt #: 114 total cpu time spent up to now is 176.9 secs Computing kpt #: 115 total cpu time spent up to now is 178.0 secs Computing kpt #: 116 total cpu time spent up to now is 179.2 secs Computing kpt #: 117 total cpu time spent up to now is 180.3 secs Computing kpt #: 118 total cpu time spent up to now is 181.5 secs Computing kpt #: 119 total cpu time spent up to now is 182.6 secs Computing kpt #: 120 total cpu time spent up to now is 183.8 secs Computing kpt #: 121 total cpu time spent up to now is 184.9 secs Computing kpt #: 122 total cpu time spent up to now is 186.3 secs Computing kpt #: 123 total cpu time spent up to now is 187.6 secs Computing kpt #: 124 total cpu time spent up to now is 189.9 secs Computing kpt #: 125 total cpu time spent up to now is 191.3 secs Computing kpt #: 126 total cpu time spent up to now is 192.8 secs Computing kpt #: 127 total cpu time spent up to now is 194.2 secs Computing kpt #: 128 total cpu time spent up to now is 195.7 secs Computing kpt #: 129 total cpu time spent up to now is 197.1 secs Computing kpt #: 130 total cpu time spent up to now is 198.5 secs Computing kpt #: 131 total cpu time spent up to now is 200.3 secs Computing kpt #: 132 total cpu time spent up to now is 201.8 secs Computing kpt #: 133 total cpu time spent up to now is 203.6 secs Computing kpt #: 134 total cpu time spent up to now is 205.5 secs Computing kpt #: 135 total cpu time spent up to now is 207.2 secs Computing kpt #: 136 total cpu time spent up to now is 209.2 secs Computing kpt #: 137 total cpu time spent up to now is 211.2 secs Computing kpt #: 138 total cpu time spent up to now is 213.0 secs Computing kpt #: 139 total cpu time spent up to now is 214.8 secs Computing kpt #: 140 total cpu time spent up to now is 216.6 secs Computing kpt #: 141 total cpu time spent up to now is 218.4 secs Computing kpt #: 142 total cpu time spent up to now is 220.3 secs Computing kpt #: 143 total cpu time spent up to now is 222.3 secs Computing kpt #: 144 total cpu time spent up to now is 225.2 secs Computing kpt #: 145 total cpu time spent up to now is 227.4 secs Computing kpt #: 146 total cpu time spent up to now is 229.2 secs Computing kpt #: 147 total cpu time spent up to now is 230.7 secs Computing kpt #: 148 total cpu time spent up to now is 232.2 secs Computing kpt #: 149 total cpu time spent up to now is 233.6 secs Computing kpt #: 150 total cpu time spent up to now is 235.1 secs Computing kpt #: 151 total cpu time spent up to now is 236.6 secs Computing kpt #: 152 total cpu time spent up to now is 238.0 secs Computing kpt #: 153 total cpu time spent up to now is 239.7 secs Computing kpt #: 154 total cpu time spent up to now is 241.3 secs Computing kpt #: 155 total cpu time spent up to now is 243.2 secs Computing kpt #: 156 total cpu time spent up to now is 245.0 secs Computing kpt #: 157 total cpu time spent up to now is 246.9 secs Computing kpt #: 158 total cpu time spent up to now is 248.8 secs Computing kpt #: 159 total cpu time spent up to now is 250.6 secs Computing kpt #: 160 total cpu time spent up to now is 252.5 secs Computing kpt #: 161 total cpu time spent up to now is 254.4 secs Computing kpt #: 162 total cpu time spent up to now is 256.3 secs Computing kpt #: 163 total cpu time spent up to now is 258.2 secs Computing kpt #: 164 total cpu time spent up to now is 260.5 secs Computing kpt #: 165 total cpu time spent up to now is 262.6 secs Computing kpt #: 166 total cpu time spent up to now is 264.6 secs Computing kpt #: 167 total cpu time spent up to now is 266.5 secs Computing kpt #: 168 total cpu time spent up to now is 268.4 secs Computing kpt #: 169 total cpu time spent up to now is 270.6 secs Computing kpt #: 170 total cpu time spent up to now is 273.3 secs Computing kpt #: 171 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 276.5 secs Computing kpt #: 172 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 279.7 secs Computing kpt #: 173 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 282.9 secs Computing kpt #: 174 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 286.2 secs Computing kpt #: 175 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 289.4 secs Computing kpt #: 176 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 292.7 secs Computing kpt #: 177 total cpu time spent up to now is 295.5 secs Computing kpt #: 178 total cpu time spent up to now is 297.7 secs Computing kpt #: 179 total cpu time spent up to now is 299.5 secs Computing kpt #: 180 total cpu time spent up to now is 301.5 secs Computing kpt #: 181 total cpu time spent up to now is 303.1 secs Computing kpt #: 182 total cpu time spent up to now is 304.6 secs Computing kpt #: 183 total cpu time spent up to now is 306.1 secs Computing kpt #: 184 total cpu time spent up to now is 307.6 secs Computing kpt #: 185 total cpu time spent up to now is 309.4 secs Computing kpt #: 186 total cpu time spent up to now is 310.9 secs Computing kpt #: 187 total cpu time spent up to now is 312.7 secs Computing kpt #: 188 total cpu time spent up to now is 314.5 secs Computing kpt #: 189 total cpu time spent up to now is 316.3 secs Computing kpt #: 190 total cpu time spent up to now is 317.7 secs Computing kpt #: 191 total cpu time spent up to now is 319.1 secs Computing kpt #: 192 total cpu time spent up to now is 320.4 secs Computing kpt #: 193 total cpu time spent up to now is 321.6 secs Computing kpt #: 194 total cpu time spent up to now is 322.7 secs Computing kpt #: 195 total cpu time spent up to now is 323.9 secs Computing kpt #: 196 total cpu time spent up to now is 325.0 secs Computing kpt #: 197 total cpu time spent up to now is 326.1 secs Computing kpt #: 198 total cpu time spent up to now is 327.2 secs Computing kpt #: 199 total cpu time spent up to now is 328.3 secs Computing kpt #: 200 total cpu time spent up to now is 329.5 secs Computing kpt #: 201 total cpu time spent up to now is 330.6 secs ethr = 2.00E-08, avg # of iterations = 37.8 total cpu time spent up to now is 330.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 8685 PWs) bands (ev): -51.7031 -51.7031 -27.5864 -27.5864 -25.1148 -25.1148 -25.1148 -25.1148 -2.1565 -2.1565 2.2796 2.2796 2.2796 2.2796 2.2843 2.2843 2.8473 2.8473 2.8706 2.8706 2.8708 2.8708 2.8708 2.8708 2.9178 2.9178 2.9178 2.9178 3.1616 3.1616 3.1617 3.1617 4.0903 4.0903 6.2697 6.2697 6.2697 6.2697 7.6149 7.6149 7.6379 7.6379 7.6379 7.6379 7.7049 7.7049 7.7049 7.7049 7.7877 7.7877 8.7897 8.7897 10.5509 10.5509 10.5509 10.5509 11.4529 11.4529 11.4529 11.4529 k = 0.0119-0.0084 0.0146 ( 8693 PWs) bands (ev): -51.7031 -51.7031 -27.5864 -27.5864 -25.1148 -25.1148 -25.1148 -25.1148 -2.1550 -2.1550 2.2612 2.2612 2.2646 2.2646 2.2828 2.2828 2.8324 2.8324 2.8455 2.8455 2.8808 2.8808 2.8836 2.8836 2.9121 2.9121 2.9286 2.9286 3.1719 3.1719 3.2021 3.2021 4.1003 4.1003 6.2595 6.2595 6.2708 6.2708 7.6032 7.6032 7.6275 7.6275 7.6316 7.6316 7.7079 7.7079 7.7177 7.7177 7.7925 7.7925 8.8056 8.8056 10.5492 10.5492 10.5517 10.5517 11.4198 11.4198 11.4469 11.4469 k = 0.0238-0.0168 0.0292 ( 8709 PWs) bands (ev): -51.7032 -51.7032 -27.5864 -27.5864 -25.1148 -25.1148 -25.1148 -25.1148 -2.1505 -2.1505 2.2120 2.2120 2.2169 2.2169 2.2867 2.2867 2.7507 2.7507 2.8191 2.8191 2.8847 2.8847 2.8963 2.8963 2.9499 2.9499 2.9727 2.9727 3.1964 3.1964 3.2909 3.2909 4.1296 4.1296 6.2289 6.2289 6.2740 6.2740 7.5757 7.5757 7.6057 7.6057 7.6159 7.6159 7.7113 7.7113 7.7427 7.7427 7.8081 7.8081 8.8506 8.8506 10.5443 10.5443 10.5547 10.5547 11.3265 11.3265 11.4292 11.4292 k = 0.0357-0.0253 0.0437 ( 8693 PWs) bands (ev): -51.7031 -51.7031 -27.5864 -27.5864 -25.1148 -25.1148 -25.1148 -25.1148 -2.1430 -2.1430 2.1439 2.1439 2.1502 2.1502 2.2935 2.2935 2.6557 2.6557 2.7638 2.7638 2.8855 2.8855 2.9056 2.9056 3.0275 3.0275 3.0472 3.0472 3.2262 3.2262 3.3975 3.3975 4.1763 4.1763 6.1783 6.1783 6.2793 6.2793 7.5424 7.5424 7.5785 7.5785 7.5964 7.5964 7.7090 7.7090 7.7699 7.7699 7.8344 7.8344 8.9180 8.9180 10.5362 10.5362 10.5609 10.5609 11.1946 11.1946 11.4007 11.4007 k = 0.0476-0.0337 0.0583 ( 8701 PWs) bands (ev): -51.7031 -51.7031 -27.5864 -27.5864 -25.1148 -25.1148 -25.1148 -25.1148 -2.1326 -2.1326 2.0657 2.0657 2.0732 2.0732 2.3030 2.3030 2.5573 2.5573 2.6935 2.6935 2.8919 2.8919 2.9151 2.9151 3.1212 3.1212 3.1389 3.1389 3.2567 3.2567 3.5120 3.5120 4.2377 4.2377 6.1087 6.1087 6.2868 6.2868 7.5078 7.5078 7.5501 7.5501 7.5763 7.5763 7.7004 7.7004 7.7974 7.7974 7.8681 7.8681 8.9991 8.9991 10.5250 10.5250 10.5722 10.5722 11.0426 11.0426 11.3630 11.3630 k = 0.0595-0.0421 0.0729 ( 8700 PWs) bands (ev): -51.7031 -51.7031 -27.5864 -27.5864 -25.1148 -25.1148 -25.1148 -25.1148 -2.1191 -2.1191 1.9827 1.9827 1.9912 1.9912 2.3153 2.3153 2.4588 2.4588 2.6157 2.6157 2.9016 2.9016 2.9262 2.9262 3.2243 3.2243 3.2410 3.2410 3.2868 3.2868 3.6312 3.6312 4.3110 4.3110 6.0217 6.0217 6.2964 6.2964 7.4738 7.4738 7.5242 7.5242 7.5568 7.5568 7.6867 7.6867 7.8251 7.8251 7.9058 7.9058 9.0859 9.0859 10.5109 10.5109 10.5910 10.5910 10.8803 10.8803 11.3175 11.3175 k = 0.0714-0.0505 0.0875 ( 8696 PWs) bands (ev): -51.7031 -51.7031 -27.5864 -27.5864 -25.1148 -25.1148 -25.1148 -25.1148 -2.1027 -2.1027 1.8977 1.8977 1.9070 1.9070 2.3302 2.3302 2.3615 2.3615 2.5335 2.5335 2.9141 2.9141 2.9394 2.9394 3.3131 3.3131 3.3371 3.3371 3.3500 3.3500 3.7536 3.7536 4.3932 4.3932 5.9197 5.9197 6.3083 6.3083 7.4404 7.4404 7.5034 7.5034 7.5385 7.5385 7.6687 7.6687 7.8529 7.8529 7.9458 7.9458 9.1710 9.1710 10.4942 10.4942 10.6197 10.6197 10.7125 10.7125 11.2654 11.2654 k = 0.0833-0.0589 0.1021 ( 8720 PWs) bands (ev): -51.7032 -51.7032 -27.5865 -27.5865 -25.1148 -25.1148 -25.1148 -25.1148 -2.0833 -2.0833 1.8124 1.8124 1.8223 1.8223 2.2656 2.2656 2.3480 2.3480 2.4488 2.4488 2.9290 2.9290 2.9547 2.9547 3.3434 3.3434 3.4506 3.4506 3.4642 3.4642 3.8787 3.8787 4.4815 4.4815 5.8055 5.8055 6.3224 6.3224 7.4074 7.4074 7.4888 7.4888 7.5226 7.5226 7.6469 7.6469 7.8804 7.8804 7.9870 7.9870 9.2486 9.2486 10.4748 10.4748 10.5423 10.5423 10.6606 10.6606 11.1627 11.1627 k = 0.0952-0.0673 0.1166 ( 8708 PWs) bands (ev): -51.7032 -51.7032 -27.5864 -27.5864 -25.1148 -25.1148 -25.1148 -25.1148 -2.0609 -2.0609 1.7276 1.7276 1.7381 1.7381 2.1719 2.1719 2.3630 2.3630 2.3685 2.3685 2.9464 2.9464 2.9723 2.9723 3.3725 3.3725 3.5693 3.5693 3.5824 3.5824 4.0058 4.0058 4.5733 4.5733 5.6828 5.6828 6.3388 6.3388 7.3744 7.3744 7.4787 7.4787 7.5113 7.5113 7.6216 7.6216 7.9075 7.9075 8.0290 8.0290 9.3145 9.3145 10.3710 10.3710 10.4534 10.4534 10.7142 10.7142 11.0363 11.0363 k = 0.1071-0.0758 0.1312 ( 8692 PWs) bands (ev): -51.7031 -51.7031 -27.5864 -27.5864 -25.1148 -25.1148 -25.1148 -25.1148 -2.0356 -2.0356 1.6440 1.6440 1.6550 1.6550 2.0805 2.0805 2.2768 2.2768 2.3916 2.3916 2.9662 2.9662 2.9921 2.9921 3.4021 3.4021 3.6912 3.6912 3.7040 3.7040 4.1346 4.1346 4.6650 4.6650 5.5559 5.5559 6.3577 6.3577 7.3413 7.3413 7.4686 7.4686 7.5088 7.5088 7.5931 7.5931 7.9336 7.9336 8.0713 8.0713 9.3663 9.3663 10.2004 10.2004 10.4295 10.4295 10.7793 10.7793 10.9123 10.9123 k = 0.1190-0.0842 0.1458 ( 8716 PWs) bands (ev): -51.7032 -51.7032 -27.5865 -27.5865 -25.1148 -25.1148 -25.1148 -25.1148 -2.0073 -2.0073 1.5619 1.5619 1.5733 1.5733 1.9914 1.9914 2.1908 2.1908 2.4175 2.4175 2.9883 2.9883 3.0142 3.0142 3.4324 3.4324 3.8157 3.8157 3.8285 3.8285 4.2647 4.2647 4.7511 4.7511 5.4314 5.4314 6.3791 6.3791 7.3079 7.3079 7.4563 7.4563 7.5167 7.5167 7.5615 7.5615 7.9585 7.9585 8.1134 8.1134 9.4039 9.4039 10.0311 10.0311 10.4035 10.4035 10.7915 10.7915 10.8519 10.8519 k = 0.1310-0.0926 0.1604 ( 8724 PWs) bands (ev): -51.7032 -51.7032 -27.5865 -27.5865 -25.1148 -25.1148 -25.1148 -25.1148 -1.9760 -1.9760 1.4817 1.4817 1.4935 1.4935 1.9048 1.9048 2.1057 2.1057 2.4460 2.4460 3.0127 3.0127 3.0386 3.0386 3.4634 3.4634 3.9423 3.9423 3.9557 3.9557 4.3953 4.3953 4.8195 4.8195 5.3229 5.3229 6.4032 6.4032 7.2742 7.2742 7.4427 7.4427 7.5248 7.5248 7.5357 7.5357 7.9816 7.9816 8.1551 8.1551 9.4285 9.4285 9.8638 9.8638 10.3753 10.3753 10.6759 10.6759 10.8310 10.8310 k = 0.1429-0.1010 0.1750 ( 8732 PWs) bands (ev): -51.7033 -51.7033 -27.5865 -27.5865 -25.1149 -25.1149 -25.1148 -25.1148 -1.9418 -1.9418 1.4034 1.4034 1.4156 1.4156 1.8207 1.8207 2.0217 2.0217 2.4773 2.4773 3.0394 3.0394 3.0652 3.0652 3.4948 3.4948 4.0706 4.0706 4.0853 4.0853 4.5248 4.5248 4.8432 4.8432 5.2594 5.2594 6.4301 6.4301 7.2401 7.2401 7.4282 7.4282 7.4895 7.4895 7.5583 7.5583 8.0025 8.0025 8.1959 8.1959 9.4424 9.4424 9.6991 9.6991 10.3450 10.3450 10.5659 10.5659 10.7165 10.7165 k = 0.1548-0.1094 0.1895 ( 8752 PWs) bands (ev): -51.7033 -51.7033 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -1.9046 -1.9046 1.3273 1.3273 1.3398 1.3398 1.7391 1.7391 1.9392 1.9392 2.5113 2.5113 3.0684 3.0684 3.0940 3.0940 3.5259 3.5259 4.2001 4.2001 4.2171 4.2171 4.6437 4.6437 4.8047 4.8047 5.2686 5.2686 6.4602 6.4602 7.2053 7.2053 7.4108 7.4108 7.4528 7.4528 7.5885 7.5885 8.0207 8.0207 8.2355 8.2355 9.4481 9.4481 9.5378 9.5378 10.3124 10.3124 10.4626 10.4626 10.6088 10.6088 k = 0.1667-0.1179 0.2041 ( 8744 PWs) bands (ev): -51.7033 -51.7033 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -1.8645 -1.8645 1.2534 1.2534 1.2663 1.2663 1.6602 1.6602 1.8584 1.8584 2.5479 2.5479 3.0996 3.0996 3.1250 3.1250 3.5557 3.5557 4.3305 4.3305 4.3508 4.3508 4.6525 4.6525 4.8248 4.8248 5.3302 5.3302 6.4936 6.4936 7.1698 7.1698 7.3827 7.3827 7.4239 7.4239 7.6246 7.6246 8.0358 8.0358 8.2734 8.2734 9.3803 9.3803 9.4479 9.4479 10.2767 10.2767 10.3674 10.3674 10.5090 10.5090 k = 0.1786-0.1263 0.2187 ( 8740 PWs) bands (ev): -51.7033 -51.7033 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -1.8215 -1.8215 1.1819 1.1819 1.1950 1.1950 1.5838 1.5838 1.7795 1.7795 2.5873 2.5873 3.1330 3.1330 3.1583 3.1583 3.5820 3.5820 4.4614 4.4614 4.4862 4.4862 4.5437 4.5437 4.9435 4.9435 5.4132 5.4132 6.5308 6.5308 7.1332 7.1332 7.3400 7.3400 7.4063 7.4063 7.6660 7.6660 8.0474 8.0474 8.3092 8.3092 9.2272 9.2272 9.4440 9.4440 10.2366 10.2366 10.2824 10.2824 10.4182 10.4182 k = 0.1905-0.1347 0.2333 ( 8748 PWs) bands (ev): -51.7033 -51.7033 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -1.7755 -1.7755 1.1127 1.1127 1.1261 1.1261 1.5102 1.5102 1.7027 1.7027 2.6293 2.6293 3.1687 3.1687 3.1937 3.1937 3.6009 3.6009 4.4236 4.4236 4.5925 4.5925 4.6230 4.6230 5.0718 5.0718 5.5036 5.5036 6.5724 6.5724 7.0954 7.0954 7.2891 7.2891 7.3935 7.3935 7.7123 7.7123 8.0551 8.0551 8.3426 8.3426 9.0792 9.0792 9.4380 9.4380 10.1859 10.1859 10.2138 10.2138 10.3372 10.3372 k = 0.2024-0.1431 0.2479 ( 8744 PWs) bands (ev): -51.7033 -51.7033 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -1.7267 -1.7267 1.0459 1.0459 1.0596 1.0596 1.4391 1.4391 1.6281 1.6281 2.6740 2.6740 3.2064 3.2064 3.2313 3.2313 3.6058 3.6058 4.3132 4.3132 4.7230 4.7230 4.7609 4.7609 5.2000 5.2000 5.5956 5.5956 6.6187 6.6187 7.0563 7.0563 7.2329 7.2329 7.3823 7.3823 7.7630 7.7630 8.0591 8.0591 8.3730 8.3730 8.9368 8.9368 9.4316 9.4316 10.1248 10.1248 10.1615 10.1615 10.2666 10.2666 k = 0.2143-0.1515 0.2624 ( 8760 PWs) bands (ev): -51.7034 -51.7034 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -1.6749 -1.6749 0.9815 0.9815 0.9955 0.9955 1.3708 1.3708 1.5558 1.5558 2.7213 2.7213 3.2463 3.2463 3.2709 3.2709 3.5866 3.5866 4.2266 4.2266 4.8525 4.8525 4.8994 4.8994 5.3259 5.3259 5.6863 5.6863 6.6706 6.6706 7.0158 7.0158 7.1717 7.1717 7.3717 7.3717 7.8175 7.8175 8.0594 8.0594 8.4004 8.4004 8.8007 8.8007 9.4257 9.4257 10.0680 10.0680 10.1106 10.1106 10.2070 10.2070 k = 0.2262-0.1599 0.2770 ( 8752 PWs) bands (ev): -51.7033 -51.7033 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -1.6203 -1.6203 0.9197 0.9197 0.9339 0.9339 1.3052 1.3052 1.4860 1.4860 2.7713 2.7713 3.2883 3.2883 3.3127 3.3127 3.5336 3.5336 4.1750 4.1750 4.9801 4.9801 5.0382 5.0382 5.4480 5.4480 5.7743 5.7743 6.7286 6.7286 6.9737 6.9737 7.1057 7.1057 7.3614 7.3614 7.8749 7.8749 8.0568 8.0568 8.4245 8.4245 8.6715 8.6715 9.4213 9.4213 10.0189 10.0189 10.0574 10.0574 10.1590 10.1590 k = 0.2381-0.1684 0.2916 ( 8736 PWs) bands (ev): -51.7033 -51.7033 -27.5865 -27.5865 -25.1149 -25.1149 -25.1148 -25.1148 -1.5628 -1.5628 0.8604 0.8604 0.8748 0.8748 1.2423 1.2423 1.4187 1.4187 2.8239 2.8239 3.3321 3.3321 3.3565 3.3565 3.4461 3.4461 4.1605 4.1605 5.1048 5.1048 5.1765 5.1765 5.5650 5.5650 5.8584 5.8584 6.7932 6.7932 6.9304 6.9304 7.0348 7.0348 7.3512 7.3512 7.9342 7.9342 8.0523 8.0523 8.4456 8.4456 8.5497 8.5497 9.4193 9.4193 9.9721 9.9721 10.0076 10.0076 10.1225 10.1225 k = 0.2500-0.1768 0.3062 ( 8748 PWs) bands (ev): -51.7033 -51.7033 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -1.5024 -1.5024 0.8036 0.8036 0.8182 0.8182 1.1821 1.1821 1.3540 1.3540 2.8792 2.8792 3.3301 3.3301 3.3801 3.3801 3.4023 3.4023 4.1749 4.1749 5.2255 5.2255 5.3135 5.3135 5.6758 5.6758 5.9380 5.9380 6.8596 6.8596 6.8897 6.8897 6.9609 6.9609 7.3412 7.3412 7.9930 7.9930 8.0481 8.0481 8.4356 8.4356 8.4641 8.4641 9.4203 9.4203 9.9157 9.9157 9.9739 9.9739 10.0973 10.0973 k = 0.2619-0.1852 0.3208 ( 8728 PWs) bands (ev): -51.7032 -51.7032 -27.5865 -27.5865 -25.1149 -25.1149 -25.1148 -25.1148 -1.4392 -1.4392 0.7493 0.7493 0.7642 0.7642 1.1247 1.1247 1.2919 1.2919 2.9370 2.9370 3.2011 3.2011 3.4270 3.4270 3.4500 3.4500 4.2086 4.2086 5.3407 5.3407 5.4481 5.4481 5.7790 5.7790 6.0127 6.0127 6.8362 6.8362 6.8713 6.8713 6.9568 6.9568 7.3316 7.3316 8.0340 8.0340 8.0614 8.0614 8.3300 8.3300 8.4803 8.4803 9.4247 9.4247 9.8530 9.8530 9.9553 9.9553 10.0827 10.0827 k = 0.2738-0.1936 0.3353 ( 8748 PWs) bands (ev): -51.7033 -51.7033 -27.5865 -27.5865 -25.1149 -25.1149 -25.1148 -25.1148 -1.3731 -1.3731 0.6977 0.6977 0.7127 0.7127 1.0700 1.0700 1.2326 1.2326 2.9974 2.9974 3.0621 3.0621 3.4768 3.4768 3.4996 3.4996 4.2549 4.2549 5.4485 5.4485 5.5786 5.5786 5.8741 5.8741 6.0820 6.0820 6.7754 6.7754 6.8039 6.8039 7.0426 7.0426 7.3229 7.3229 8.0367 8.0367 8.1121 8.1121 8.2328 8.2328 8.4953 8.4953 9.4329 9.4329 9.7922 9.7922 9.9471 9.9471 10.0775 10.0775 k = 0.2857-0.2020 0.3499 ( 8732 PWs) bands (ev): -51.7033 -51.7033 -27.5865 -27.5865 -25.1149 -25.1149 -25.1148 -25.1148 -1.3043 -1.3043 0.6486 0.6486 0.6638 0.6638 1.0181 1.0181 1.1760 1.1760 2.9181 2.9181 3.0604 3.0604 3.5285 3.5285 3.5510 3.5510 4.3096 4.3096 5.5470 5.5470 5.7022 5.7022 5.9606 5.9606 6.1459 6.1459 6.6867 6.6867 6.7593 6.7593 7.1384 7.1384 7.3160 7.3160 8.0401 8.0401 8.1438 8.1438 8.1612 8.1612 8.5101 8.5101 9.4451 9.4451 9.7397 9.7397 9.9469 9.9469 10.0800 10.0800 k = 0.2976-0.2104 0.3645 ( 8716 PWs) bands (ev): -51.7032 -51.7032 -27.5865 -27.5865 -25.1149 -25.1149 -25.1148 -25.1148 -1.2327 -1.2327 0.6021 0.6021 0.6175 0.6175 0.9689 0.9689 1.1223 1.1223 2.7716 2.7716 3.1260 3.1260 3.5819 3.5819 3.6041 3.6041 4.3704 4.3704 5.6339 5.6339 5.8149 5.8149 6.0384 6.0384 6.2044 6.2044 6.5893 6.5893 6.7250 6.7250 7.2393 7.2393 7.3123 7.3123 8.0478 8.0478 8.0654 8.0654 8.2024 8.2024 8.5259 8.5259 9.4610 9.4610 9.7015 9.7015 9.9532 9.9532 10.0881 10.0881 k = 0.3095-0.2189 0.3791 ( 8724 PWs) bands (ev): -51.7032 -51.7032 -27.5865 -27.5865 -25.1149 -25.1149 -25.1148 -25.1148 -1.1583 -1.1583 0.5583 0.5583 0.5738 0.5738 0.9225 0.9225 1.0714 1.0714 2.6242 2.6242 3.1941 3.1941 3.6370 3.6370 3.6588 3.6588 4.4359 4.4359 5.7067 5.7067 5.9105 5.9105 6.1079 6.1079 6.2573 6.2573 6.4869 6.4869 6.7038 6.7038 7.3099 7.3099 7.3441 7.3441 7.9896 7.9896 8.0690 8.0690 8.2357 8.2357 8.5438 8.5438 9.4797 9.4797 9.6835 9.6835 9.9644 9.9644 10.0990 10.0990 k = 0.3214-0.2273 0.3937 ( 8736 PWs) bands (ev): -51.7033 -51.7033 -27.5865 -27.5865 -25.1149 -25.1149 -25.1148 -25.1148 -1.0812 -1.0812 0.5170 0.5170 0.5327 0.5327 0.8789 0.8789 1.0234 1.0234 2.4768 2.4768 3.2646 3.2646 3.6935 3.6935 3.7150 3.7150 4.5051 4.5051 5.7635 5.7635 5.9810 5.9810 6.1691 6.1691 6.3049 6.3049 6.3811 6.3811 6.7034 6.7034 7.3162 7.3162 7.4402 7.4402 7.9244 7.9244 8.0974 8.0974 8.2640 8.2640 8.5653 8.5653 9.5006 9.5006 9.6894 9.6894 9.9790 9.9790 10.0971 10.0971 k = 0.3333-0.2357 0.4082 ( 8720 PWs) bands (ev): -51.7032 -51.7032 -27.5865 -27.5865 -25.1149 -25.1149 -25.1148 -25.1148 -1.0014 -1.0014 0.4784 0.4784 0.4943 0.4943 0.8381 0.8381 0.9784 0.9784 2.3301 2.3301 3.3376 3.3376 3.7514 3.7514 3.7725 3.7725 4.5773 4.5773 5.8030 5.8030 6.0193 6.0193 6.2177 6.2177 6.2775 6.2775 6.3473 6.3473 6.7303 6.7303 7.3270 7.3270 7.5226 7.5226 7.8659 7.8659 8.1380 8.1380 8.2953 8.2953 8.5915 8.5915 9.5239 9.5239 9.7194 9.7194 9.9955 9.9955 10.0607 10.0607 k = 0.3452-0.2441 0.4228 ( 8736 PWs) bands (ev): -51.7033 -51.7033 -27.5865 -27.5865 -25.1149 -25.1149 -25.1148 -25.1148 -0.9189 -0.9189 0.4424 0.4424 0.4584 0.4584 0.8001 0.8001 0.9362 0.9362 2.1845 2.1845 3.4131 3.4131 3.8104 3.8104 3.8311 3.8311 4.6519 4.6519 5.8247 5.8247 6.0244 6.0244 6.1531 6.1531 6.2783 6.2783 6.3845 6.3845 6.7850 6.7850 7.3429 7.3429 7.5789 7.5789 7.8136 7.8136 8.1920 8.1920 8.3420 8.3420 8.6237 8.6237 9.5510 9.5510 9.7701 9.7701 10.0126 10.0126 10.0267 10.0267 k = 0.3571-0.2525 0.4374 ( 8732 PWs) bands (ev): -51.7033 -51.7033 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -0.8338 -0.8338 0.4091 0.4091 0.4252 0.4252 0.7649 0.7649 0.8971 0.8971 2.0404 2.0404 3.4908 3.4908 3.8704 3.8704 3.8907 3.8907 4.7283 4.7283 5.8293 5.8293 6.0014 6.0014 6.0421 6.0421 6.3194 6.3194 6.4172 6.4172 6.8604 6.8604 7.3627 7.3627 7.5999 7.5999 7.7671 7.7671 8.2603 8.2603 8.4154 8.4154 8.6633 8.6633 9.5829 9.5829 9.8364 9.8364 9.9949 9.9949 10.0295 10.0295 k = 0.3690-0.2610 0.4520 ( 8748 PWs) bands (ev): -51.7033 -51.7033 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -0.7462 -0.7462 0.3784 0.3784 0.3946 0.3946 0.7324 0.7324 0.8609 0.8609 1.8980 1.8980 3.5709 3.5709 3.9311 3.9311 3.9510 3.9510 4.8062 4.8062 5.8187 5.8187 5.9234 5.9234 5.9650 5.9650 6.3571 6.3571 6.4457 6.4457 6.9470 6.9470 7.3847 7.3847 7.5856 7.5856 7.7258 7.7258 8.3433 8.3433 8.5181 8.5181 8.7112 8.7112 9.6197 9.6197 9.9127 9.9127 9.9658 9.9658 10.0453 10.0453 k = 0.3810-0.2694 0.4666 ( 8744 PWs) bands (ev): -51.7033 -51.7033 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -0.6561 -0.6561 0.3503 0.3503 0.3667 0.3667 0.7028 0.7028 0.8276 0.8276 1.7577 1.7577 3.6531 3.6531 3.9921 3.9921 4.0115 4.0115 4.8847 4.8847 5.7933 5.7933 5.8107 5.8107 5.9122 5.9122 6.3909 6.3909 6.4701 6.4701 7.0372 7.0372 7.4073 7.4073 7.5438 7.5438 7.6894 7.6894 8.4407 8.4407 8.6452 8.6452 8.7689 8.7689 9.6610 9.6610 9.9391 9.9391 9.9908 9.9908 10.0626 10.0626 k = 0.3929-0.2778 0.4811 ( 8748 PWs) bands (ev): -51.7033 -51.7033 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -0.5636 -0.5636 0.3250 0.3250 0.3414 0.3414 0.6760 0.6760 0.7972 0.7972 1.6197 1.6197 3.7374 3.7374 4.0529 4.0529 4.0719 4.0719 4.9634 4.9634 5.6919 5.6919 5.7627 5.7627 5.8537 5.8537 6.4209 6.4209 6.4908 6.4908 7.1256 7.1256 7.4283 7.4283 7.4847 7.4847 7.6575 7.6575 8.5514 8.5514 8.7897 8.7897 8.8371 8.8371 9.7060 9.7060 9.9149 9.9149 10.0404 10.0404 10.0750 10.0750 k = 0.4048-0.2862 0.4957 ( 8756 PWs) bands (ev): -51.7033 -51.7033 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -0.4689 -0.4689 0.3023 0.3023 0.3187 0.3187 0.6520 0.6520 0.7698 0.7698 1.4844 1.4844 3.8236 3.8236 4.1131 4.1131 4.1316 4.1316 5.0412 5.0412 5.5768 5.5768 5.7215 5.7215 5.7922 5.7922 6.4472 6.4472 6.5079 6.5079 7.2085 7.2085 7.4089 7.4089 7.4537 7.4537 7.6297 7.6297 8.6741 8.6741 8.9162 8.9162 8.9458 8.9458 9.7541 9.7541 9.8932 9.8932 10.0398 10.0398 10.0709 10.0709 k = 0.4167-0.2946 0.5103 ( 8752 PWs) bands (ev): -51.7033 -51.7033 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -0.3721 -0.3721 0.2822 0.2822 0.2988 0.2988 0.6308 0.6308 0.7450 0.7450 1.3521 1.3521 3.9115 3.9115 4.1719 4.1719 4.1898 4.1898 5.1172 5.1172 5.4625 5.4625 5.6756 5.6756 5.7302 5.7302 6.4702 6.4702 6.5215 6.5215 7.2834 7.2834 7.3354 7.3354 7.4702 7.4702 7.6060 7.6060 8.8071 8.8071 9.0074 9.0074 9.1081 9.1081 9.8045 9.8045 9.8740 9.8740 10.0227 10.0227 10.0738 10.0738 k = 0.4286-0.3030 0.5249 ( 8760 PWs) bands (ev): -51.7034 -51.7034 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -0.2737 -0.2737 0.2649 0.2649 0.2814 0.2814 0.6125 0.6125 0.7228 0.7228 1.2235 1.2235 4.0007 4.0007 4.2283 4.2283 4.2457 4.2457 5.1900 5.1900 5.3499 5.3499 5.6273 5.6273 5.6699 5.6699 6.4898 6.4898 6.5319 6.5319 7.2602 7.2602 7.3490 7.3490 7.4858 7.4858 7.5860 7.5860 8.9485 8.9485 9.1099 9.1099 9.2729 9.2729 9.8559 9.8559 9.8579 9.8579 10.0040 10.0040 10.0755 10.0755 k = 0.4405-0.3115 0.5395 ( 8748 PWs) bands (ev): -51.7033 -51.7033 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -0.1740 -0.1740 0.2502 0.2502 0.2668 0.2668 0.5970 0.5970 0.7024 0.7024 1.0997 1.0997 4.0905 4.0905 4.2811 4.2811 4.2979 4.2979 5.2398 5.2398 5.2579 5.2579 5.5792 5.5792 5.6133 5.6133 6.5064 6.5064 6.5390 6.5390 7.1889 7.1889 7.4041 7.4041 7.4990 7.4990 7.5698 7.5698 9.0964 9.0964 9.2231 9.2231 9.4353 9.4353 9.8433 9.8433 9.9092 9.9092 9.9864 9.9864 10.0752 10.0752 k = 0.4524-0.3199 0.5541 ( 8756 PWs) bands (ev): -51.7033 -51.7033 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -0.0741 -0.0741 0.2382 0.2382 0.2548 0.2548 0.5842 0.5842 0.6827 0.6827 0.9831 0.9831 4.1799 4.1799 4.3288 4.3288 4.3450 4.3450 5.1336 5.1336 5.3187 5.3187 5.5339 5.5339 5.5626 5.5626 6.5198 6.5198 6.5432 6.5432 7.1248 7.1248 7.4485 7.4485 7.5093 7.5093 7.5576 7.5576 9.2489 9.2489 9.3457 9.3457 9.5886 9.5886 9.8318 9.8318 9.9608 9.9608 9.9726 9.9726 10.0722 10.0722 k = 0.4643-0.3283 0.5686 ( 8764 PWs) bands (ev): -51.7034 -51.7034 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 0.0241 0.0241 0.2291 0.2291 0.2455 0.2455 0.5744 0.5744 0.6605 0.6605 0.8786 0.8786 4.2666 4.2666 4.3694 4.3694 4.3852 4.3852 5.0335 5.0335 5.3695 5.3695 5.4948 5.4948 5.5200 5.5200 6.5302 6.5302 6.5448 6.5448 7.0713 7.0713 7.4817 7.4817 7.5163 7.5163 7.5502 7.5502 9.4036 9.4036 9.4756 9.4756 9.7221 9.7221 9.8228 9.8228 9.9555 9.9555 10.0192 10.0192 10.0645 10.0645 k = 0.4762-0.3367 0.5832 ( 8744 PWs) bands (ev): -51.7033 -51.7033 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 0.1160 0.1160 0.2230 0.2230 0.2388 0.2388 0.5673 0.5673 0.6286 0.6286 0.7977 0.7977 4.3458 4.3458 4.4007 4.4007 4.4166 4.4166 4.9442 4.9442 5.4057 5.4057 5.4667 5.4667 5.4874 5.4874 6.5376 6.5376 6.5447 6.5447 7.0310 7.0310 7.5038 7.5038 7.5192 7.5192 7.5484 7.5484 9.5578 9.5578 9.6088 9.6088 9.8163 9.8163 9.8221 9.8221 9.9421 9.9421 10.0399 10.0399 10.0778 10.0778 k = 0.4881-0.3451 0.5978 ( 8752 PWs) bands (ev): -51.7033 -51.7033 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 0.1882 0.1882 0.2223 0.2223 0.2348 0.2348 0.5630 0.5630 0.5856 0.5856 0.7530 0.7530 4.4061 4.4061 4.4206 4.4206 4.4383 4.4383 4.8761 4.8761 5.4194 5.4194 5.4578 5.4578 5.4669 5.4669 6.5421 6.5421 6.5439 6.5439 7.0060 7.0060 7.5155 7.5155 7.5193 7.5193 7.5504 7.5504 9.7060 9.7060 9.7356 9.7356 9.8126 9.8126 9.8799 9.8799 9.9232 9.9232 9.9781 9.9781 10.1205 10.1205 k = 0.5000-0.3536 0.6124 ( 8776 PWs) bands (ev): -51.7034 -51.7034 -27.5866 -27.5866 -25.1149 -25.1149 -25.1149 -25.1149 0.2082 0.2082 0.2334 0.2334 0.2335 0.2335 0.5616 0.5616 0.5616 0.5616 0.7404 0.7404 4.4275 4.4275 4.4275 4.4275 4.4490 4.4490 4.8489 4.8489 5.4189 5.4189 5.4598 5.4598 5.4598 5.4598 6.5435 6.5435 6.5435 6.5435 6.9975 6.9975 7.5190 7.5190 7.5190 7.5190 7.5518 7.5518 9.8091 9.8091 9.8092 9.8092 9.8154 9.8154 9.8980 9.8980 9.8980 9.8980 9.8985 9.8985 10.1205 10.1205 k = 0.5000-0.3536 0.6124 ( 8776 PWs) bands (ev): -51.7034 -51.7034 -27.5866 -27.5866 -25.1149 -25.1149 -25.1149 -25.1149 0.2082 0.2082 0.2334 0.2334 0.2335 0.2335 0.5616 0.5616 0.5616 0.5616 0.7404 0.7404 4.4275 4.4275 4.4275 4.4275 4.4490 4.4490 4.8489 4.8489 5.4189 5.4189 5.4598 5.4598 5.4598 5.4598 6.5435 6.5435 6.5435 6.5435 6.9975 6.9975 7.5190 7.5190 7.5190 7.5190 7.5518 7.5518 9.8091 9.8091 9.8092 9.8092 9.8154 9.8154 9.8980 9.8980 9.8980 9.8980 9.8985 9.8985 10.1205 10.1205 k = 0.4833-0.3418 0.6124 ( 8752 PWs) bands (ev): -51.7033 -51.7033 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 0.1965 0.1965 0.2172 0.2172 0.2309 0.2309 0.5688 0.5688 0.5813 0.5813 0.7521 0.7521 4.4001 4.4001 4.4239 4.4239 4.4422 4.4422 4.8749 4.8749 5.4206 5.4206 5.4590 5.4590 5.4646 5.4646 6.5426 6.5426 6.5435 6.5435 7.0058 7.0058 7.5161 7.5161 7.5189 7.5189 7.5504 7.5504 9.7170 9.7170 9.7426 9.7426 9.7783 9.7783 9.8921 9.8921 9.9417 9.9417 9.9653 9.9653 10.1307 10.1307 k = 0.4667-0.3300 0.6124 ( 8736 PWs) bands (ev): -51.7033 -51.7033 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 0.1588 0.1588 0.1762 0.1762 0.2320 0.2320 0.5851 0.5851 0.6319 0.6319 0.7867 0.7867 4.3234 4.3234 4.4068 4.4068 4.4409 4.4409 4.9349 4.9349 5.4229 5.4229 5.4568 5.4568 5.4819 5.4819 6.5395 6.5395 6.5434 6.5434 7.0298 7.0298 7.5075 7.5075 7.5169 7.5169 7.5478 7.5478 9.5658 9.5658 9.6431 9.6431 9.7032 9.7032 9.8700 9.8700 9.9592 9.9592 10.0598 10.0598 10.1171 10.1171 k = 0.4500-0.3182 0.6124 ( 8762 PWs) bands (ev): -51.7034 -51.7034 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 0.1057 0.1057 0.1223 0.1223 0.2376 0.2376 0.6031 0.6031 0.7001 0.7001 0.8418 0.8418 4.2227 4.2227 4.3746 4.3746 4.4451 4.4451 5.0030 5.0030 5.4224 5.4224 5.4545 5.4545 5.5168 5.5168 6.5342 6.5342 6.5431 6.5431 7.0674 7.0674 7.4936 7.4936 7.5088 7.5088 7.5486 7.5486 9.3988 9.3988 9.5413 9.5413 9.6140 9.6140 9.8252 9.8252 9.9529 9.9529 10.0827 10.0827 10.1528 10.1528 k = 0.4333-0.3064 0.6124 ( 8762 PWs) bands (ev): -51.7034 -51.7034 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 0.0465 0.0465 0.0624 0.0624 0.2464 0.2464 0.6206 0.6206 0.7783 0.7783 0.9121 0.9121 4.1114 4.1114 4.3297 4.3297 4.4521 4.4521 5.0659 5.0659 5.4194 5.4194 5.4530 5.4530 5.5705 5.5705 6.5264 6.5264 6.5425 6.5425 7.1147 7.1147 7.4753 7.4753 7.4935 7.4935 7.5548 7.5548 9.2247 9.2247 9.4398 9.4398 9.5220 9.5220 9.7583 9.7583 9.9371 9.9371 10.0374 10.0374 10.2407 10.2407 k = 0.4167-0.2946 0.6124 ( 8750 PWs) bands (ev): -51.7033 -51.7033 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -0.0145 -0.0145 -0.0000 -0.0000 0.2580 0.2580 0.6384 0.6384 0.8631 0.8631 0.9931 0.9931 3.9950 3.9950 4.2732 4.2732 4.4615 4.4615 5.1188 5.1188 5.4159 5.4159 5.4522 5.4522 5.6415 5.6415 6.5159 6.5159 6.5415 6.5415 7.1655 7.1655 7.4532 7.4532 7.4749 7.4749 7.5653 7.5653 9.0483 9.0483 9.3395 9.3395 9.4319 9.4319 9.6758 9.6758 9.9075 9.9075 9.9921 9.9921 10.3223 10.3224 k = 0.4000-0.2828 0.6124 ( 8752 PWs) bands (ev): -51.7033 -51.7033 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -0.0756 -0.0756 -0.0627 -0.0627 0.2723 0.2723 0.6575 0.6575 0.9527 0.9527 1.0814 1.0814 3.8760 3.8760 4.2064 4.2064 4.4730 4.4730 5.1618 5.1618 5.4134 5.4134 5.4519 5.4519 5.7260 5.7260 6.5025 6.5025 6.5399 6.5399 7.2094 7.2094 7.4265 7.4265 7.4620 7.4620 7.5790 7.5790 8.8730 8.8730 9.2409 9.2409 9.3463 9.3463 9.5838 9.5838 9.8594 9.8594 9.9537 9.9537 10.3322 10.3322 k = 0.3833-0.2711 0.6124 ( 8744 PWs) bands (ev): -51.7033 -51.7033 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -0.1356 -0.1356 -0.1246 -0.1246 0.2893 0.2893 0.6784 0.6784 1.0462 1.0462 1.1754 1.1754 3.7560 3.7560 4.1307 4.1307 4.4865 4.4865 5.1974 5.1974 5.4126 5.4126 5.4520 5.4520 5.8192 5.8192 6.4861 6.4861 6.5373 6.5373 7.2316 7.2316 7.3934 7.3934 7.4679 7.4679 7.5955 7.5955 8.7022 8.7022 9.1448 9.1448 9.2665 9.2665 9.4869 9.4869 9.8012 9.8012 9.9158 9.9158 10.3404 10.3404 k = 0.3667-0.2593 0.6124 ( 8750 PWs) bands (ev): -51.7033 -51.7033 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -0.1943 -0.1943 -0.1848 -0.1848 0.3089 0.3089 0.7017 0.7017 1.1431 1.1431 1.2737 1.2737 3.6358 3.6358 4.0474 4.0474 4.5021 4.5021 5.2282 5.2282 5.4138 5.4138 5.4523 5.4523 5.9168 5.9168 6.4664 6.4664 6.5334 6.5334 7.2244 7.2244 7.3547 7.3547 7.4951 7.4951 7.6143 7.6143 8.5403 8.5403 9.0517 9.0517 9.1938 9.1938 9.3885 9.3885 9.7413 9.7413 9.8713 9.8713 10.3459 10.3459 k = 0.3500-0.2475 0.6124 ( 8758 PWs) bands (ev): -51.7034 -51.7034 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -0.2515 -0.2515 -0.2428 -0.2428 0.3311 0.3311 0.7274 0.7274 1.2430 1.2430 1.3758 1.3758 3.5160 3.5160 3.9580 3.9580 4.5196 4.5196 5.2564 5.2564 5.4167 5.4167 5.4527 5.4527 6.0152 6.0152 6.4434 6.4434 6.5277 6.5277 7.1957 7.1957 7.3112 7.3112 7.5281 7.5281 7.6352 7.6352 8.3935 8.3935 8.9621 8.9621 9.1291 9.1291 9.2908 9.2908 9.6837 9.6837 9.8188 9.8188 10.3329 10.3329 k = 0.3333-0.2357 0.6124 ( 8758 PWs) bands (ev): -51.7034 -51.7034 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -0.3072 -0.3072 -0.2980 -0.2980 0.3559 0.3559 0.7558 0.7558 1.3458 1.3458 1.4812 1.4812 3.3971 3.3971 3.8637 3.8637 4.5390 4.5390 5.2834 5.2834 5.4204 5.4204 5.4534 5.4534 6.1112 6.1112 6.4169 6.4169 6.5195 6.5195 7.1558 7.1558 7.2636 7.2636 7.5460 7.5460 7.6578 7.6578 8.2712 8.2712 8.8767 8.8767 9.0731 9.0731 9.1951 9.1951 9.6302 9.6302 9.7604 9.7604 10.2968 10.2968 k = 0.3167-0.2239 0.6124 ( 8768 PWs) bands (ev): -51.7034 -51.7034 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -0.3611 -0.3611 -0.3503 -0.3503 0.3833 0.3833 0.7869 0.7869 1.4514 1.4514 1.5894 1.5894 3.2792 3.2792 3.7657 3.7657 4.5602 4.5602 5.3101 5.3101 5.4235 5.4235 5.4545 5.4545 6.2022 6.2022 6.3871 6.3871 6.5079 6.5079 7.1107 7.1107 7.2125 7.2125 7.5310 7.5310 7.6817 7.6817 8.1849 8.1849 8.7960 8.7960 9.0267 9.0267 9.1021 9.1021 9.5807 9.5807 9.7006 9.7006 10.2582 10.2582 k = 0.3000-0.2121 0.6124 ( 8766 PWs) bands (ev): -51.7034 -51.7034 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -0.4130 -0.4130 -0.3998 -0.3998 0.4133 0.4133 0.8208 0.8208 1.5596 1.5596 1.7004 1.7004 3.1627 3.1627 3.6648 3.6648 4.5831 4.5831 5.3370 5.3370 5.4246 5.4246 5.4562 5.4562 6.2835 6.2835 6.3568 6.3568 6.4917 6.4917 7.0639 7.0639 7.1585 7.1585 7.4751 7.4751 7.7065 7.7065 8.1381 8.1381 8.7204 8.7204 8.9902 8.9902 9.0123 9.0123 9.5337 9.5337 9.6456 9.6456 10.2270 10.2270 k = 0.2833-0.2003 0.6124 ( 8760 PWs) bands (ev): -51.7034 -51.7034 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -0.4625 -0.4625 -0.4467 -0.4467 0.4459 0.4459 0.8574 0.8574 1.6702 1.6702 1.8138 1.8138 3.0477 3.0477 3.5620 3.5620 4.6076 4.6076 5.3646 5.3646 5.4224 5.4224 5.4575 5.4575 6.3065 6.3065 6.3729 6.3729 6.4696 6.4696 7.0180 7.0180 7.1021 7.1021 7.3879 7.3879 7.7318 7.7318 8.1196 8.1196 8.6501 8.6501 8.9230 8.9230 8.9665 8.9665 9.4863 9.4863 9.6022 9.6022 10.2067 10.2067 k = 0.2667-0.1886 0.6124 ( 8766 PWs) bands (ev): -51.7034 -51.7034 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -0.5096 -0.5096 -0.4909 -0.4909 0.4811 0.4811 0.8967 0.8967 1.7833 1.7833 1.9295 1.9295 2.9344 2.9344 3.4579 3.4579 4.6336 4.6336 5.3924 5.3924 5.4170 5.4170 5.4562 5.4562 6.2716 6.2716 6.4285 6.4285 6.4458 6.4458 6.9746 6.9746 7.0443 7.0443 7.2862 7.2862 7.7572 7.7572 8.1122 8.1122 8.5853 8.5853 8.8371 8.8371 8.9526 8.9526 9.4377 9.4377 9.5735 9.5735 10.1984 10.1984 k = 0.2500-0.1768 0.6124 ( 8762 PWs) bands (ev): -51.7034 -51.7034 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -0.5541 -0.5541 -0.5324 -0.5324 0.5188 0.5188 0.9389 0.9389 1.8987 1.8987 2.0473 2.0473 2.8229 2.8229 3.3532 3.3532 4.6610 4.6610 5.4028 5.4028 5.4254 5.4254 5.4497 5.4497 6.2331 6.2331 6.3975 6.3975 6.4907 6.4907 6.9350 6.9350 6.9862 6.9862 7.1840 7.1840 7.7824 7.7824 8.1032 8.1032 8.5261 8.5261 8.7529 8.7529 8.9497 8.9497 9.3903 9.3903 9.5572 9.5572 10.1990 10.1990 k = 0.2333-0.1650 0.6124 ( 8764 PWs) bands (ev): -51.7034 -51.7034 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -0.5958 -0.5958 -0.5714 -0.5714 0.5591 0.5591 0.9838 0.9838 2.0163 2.0163 2.1671 2.1671 2.7133 2.7133 3.2484 3.2484 4.6895 4.6895 5.3873 5.3873 5.4339 5.4339 5.4558 5.4558 6.1963 6.1963 6.3473 6.3473 6.5320 6.5320 6.8983 6.8983 6.9308 6.9308 7.0902 7.0902 7.8073 7.8073 8.0861 8.0861 8.4722 8.4722 8.6708 8.6708 8.9565 8.9565 9.3470 9.3470 9.5488 9.5488 10.1892 10.1892 k = 0.2167-0.1532 0.6124 ( 8758 PWs) bands (ev): -51.7034 -51.7034 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -0.6349 -0.6349 -0.6076 -0.6076 0.6020 0.6020 1.0315 1.0315 2.1359 2.1359 2.2885 2.2885 2.6056 2.6056 3.1440 3.1440 4.7190 4.7190 5.3633 5.3633 5.4069 5.4069 5.4878 5.4878 6.1638 6.1638 6.2881 6.2881 6.5595 6.5595 6.8563 6.8563 6.8880 6.8880 7.0097 7.0097 7.8320 7.8320 8.0581 8.0581 8.4236 8.4236 8.5920 8.5920 8.9706 8.9706 9.3095 9.3095 9.5441 9.5441 10.1550 10.1550 k = 0.2000-0.1414 0.6124 ( 8774 PWs) bands (ev): -51.7034 -51.7034 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -0.6712 -0.6712 -0.6413 -0.6413 0.6474 0.6474 1.0820 1.0820 2.2576 2.2576 2.4110 2.4110 2.5003 2.5003 3.0405 3.0405 4.7493 4.7493 5.3289 5.3289 5.3659 5.3659 5.5215 5.5215 6.1350 6.1350 6.2265 6.2265 6.5717 6.5717 6.8066 6.8066 6.8623 6.8623 6.9438 6.9438 7.8567 7.8567 8.0188 8.0188 8.3799 8.3799 8.5183 8.5183 8.9888 8.9888 9.2781 9.2781 9.5404 9.5404 10.1101 10.1101 k = 0.1833-0.1296 0.6124 ( 8766 PWs) bands (ev): -51.7034 -51.7034 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -0.7046 -0.7046 -0.6722 -0.6722 0.6953 0.6953 1.1352 1.1352 2.3806 2.3806 2.3967 2.3967 2.5348 2.5348 2.9392 2.9392 4.7800 4.7800 5.2808 5.2808 5.3111 5.3111 5.5564 5.5564 6.1000 6.1000 6.1793 6.1793 6.5671 6.5671 6.7600 6.7600 6.8445 6.8445 6.8926 6.8926 7.8807 7.8807 7.9697 7.9697 8.3408 8.3408 8.4511 8.4511 9.0073 9.0073 9.2526 9.2526 9.5362 9.5362 10.0607 10.0607 k = 0.1667-0.1179 0.6124 ( 8764 PWs) bands (ev): -51.7034 -51.7034 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -0.7352 -0.7352 -0.7005 -0.7005 0.7457 0.7457 1.1911 1.1911 2.2951 2.2951 2.5061 2.5061 2.6534 2.6534 2.8448 2.8448 4.8108 4.8108 5.2151 5.2151 5.2443 5.2443 5.5926 5.5926 6.0490 6.0490 6.1619 6.1619 6.5448 6.5448 6.7211 6.7211 6.8270 6.8270 6.8588 6.8588 7.8878 7.8878 7.9281 7.9281 8.3060 8.3060 8.3919 8.3919 9.0222 9.0222 9.2328 9.2328 9.5313 9.5313 10.0093 10.0093 k = 0.1500-0.1061 0.6124 ( 8758 PWs) bands (ev): -51.7034 -51.7034 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -0.7630 -0.7630 -0.7261 -0.7261 0.7986 0.7986 1.2497 1.2497 2.1961 2.1961 2.6323 2.6323 2.7013 2.7013 2.8240 2.8240 4.8414 4.8414 5.1322 5.1322 5.1660 5.1660 5.6300 5.6300 5.9953 5.9953 6.1641 6.1641 6.5076 6.5076 6.6899 6.6899 6.8022 6.8022 6.8469 6.8469 7.8301 7.8301 7.9438 7.9438 8.2753 8.2753 8.3410 8.3410 9.0307 9.0307 9.2180 9.2180 9.5261 9.5261 9.9574 9.9574 k = 0.1333-0.0943 0.6124 ( 8776 PWs) bands (ev): -51.7034 -51.7034 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -0.7879 -0.7879 -0.7491 -0.7491 0.8539 0.8539 1.3110 1.3110 2.0995 2.0995 2.6199 2.6199 2.7599 2.7599 2.9345 2.9345 4.8712 4.8712 5.0360 5.0360 5.0752 5.0752 5.6684 5.6684 5.9491 5.9491 6.1759 6.1759 6.4608 6.4608 6.6630 6.6630 6.7770 6.7770 6.8482 6.8482 7.7554 7.7554 7.9706 7.9706 8.2485 8.2485 8.2979 8.2979 9.0314 9.0314 9.2078 9.2078 9.5213 9.5213 9.9061 9.9061 k = 0.1167-0.0825 0.6124 ( 8784 PWs) bands (ev): -51.7034 -51.7034 -27.5866 -27.5866 -25.1150 -25.1150 -25.1149 -25.1149 -0.8099 -0.8099 -0.7693 -0.7693 0.9115 0.9115 1.3750 1.3750 2.0054 2.0054 2.5253 2.5253 2.8875 2.8875 3.0610 3.0610 4.8995 4.8995 4.9303 4.9303 4.9729 4.9729 5.7078 5.7078 5.9125 5.9125 6.1929 6.1929 6.4095 6.4095 6.6380 6.6380 6.7552 6.7552 6.8576 6.8576 7.6756 7.6756 7.9986 7.9986 8.2253 8.2253 8.2621 8.2621 9.0246 9.0246 9.2014 9.2014 9.5175 9.5175 9.8560 9.8560 k = 0.1000-0.0707 0.6124 ( 8786 PWs) bands (ev): -51.7035 -51.7035 -27.5866 -27.5866 -25.1150 -25.1150 -25.1149 -25.1149 -0.8290 -0.8290 -0.7869 -0.7869 0.9714 0.9714 1.4415 1.4415 1.9138 1.9138 2.4302 2.4302 3.0147 3.0147 3.1901 3.1901 4.8172 4.8172 4.8609 4.8609 4.9273 4.9273 5.7478 5.7478 5.8849 5.8849 6.2122 6.2122 6.3567 6.3567 6.6137 6.6137 6.7371 6.7371 6.8741 6.8741 7.5934 7.5934 8.0261 8.0261 8.2058 8.2058 8.2328 8.2328 9.0118 9.0118 9.1981 9.1981 9.5156 9.5156 9.8080 9.8080 k = 0.0833-0.0589 0.6124 ( 8770 PWs) bands (ev): -51.7034 -51.7034 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -0.8451 -0.8451 -0.8018 -0.8018 1.0334 1.0334 1.5106 1.5106 1.8249 1.8249 2.3364 2.3364 3.1402 3.1402 3.3196 3.3196 4.6996 4.6996 4.7451 4.7451 4.9514 4.9514 5.7882 5.7882 5.8649 5.8649 6.2314 6.2314 6.3046 6.3046 6.5906 6.5906 6.7222 6.7222 6.8980 6.8980 7.5108 7.5108 8.0518 8.0518 8.1900 8.1900 8.2092 8.2092 8.9951 8.9951 9.1974 9.1974 9.5162 9.5162 9.7624 9.7624 k = 0.0667-0.0471 0.6124 ( 8758 PWs) bands (ev): -51.7034 -51.7034 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -0.8584 -0.8584 -0.8139 -0.8139 1.0972 1.0972 1.5822 1.5822 1.7393 1.7393 2.2442 2.2442 3.2619 3.2619 3.4482 3.4482 4.5795 4.5795 4.6285 4.6285 4.9726 4.9726 5.8280 5.8280 5.8514 5.8514 6.2441 6.2441 6.2590 6.2590 6.5695 6.5695 6.7103 6.7103 6.9293 6.9293 7.4293 7.4293 8.0741 8.0741 8.1778 8.1778 8.1911 8.1911 8.9770 8.9770 9.1983 9.1983 9.5198 9.5198 9.7199 9.7199 k = 0.0500-0.0354 0.6124 ( 8748 PWs) bands (ev): -51.7033 -51.7033 -27.5865 -27.5865 -25.1149 -25.1149 -25.1148 -25.1148 -0.8687 -0.8687 -0.8234 -0.8234 1.1620 1.1620 1.6513 1.6513 1.6623 1.6623 2.1540 2.1540 3.3758 3.3758 3.5740 3.5740 4.4596 4.4596 4.5168 4.5168 4.9900 4.9900 5.8398 5.8398 5.8694 5.8694 6.2043 6.2043 6.2661 6.2661 6.5516 6.5516 6.7011 6.7011 6.9682 6.9682 7.3504 7.3504 8.0915 8.0915 8.1690 8.1690 8.1786 8.1786 8.9599 8.9599 9.2001 9.2001 9.5270 9.5270 9.6813 9.6813 k = 0.0333-0.0236 0.6124 ( 8756 PWs) bands (ev): -51.7033 -51.7033 -27.5865 -27.5865 -25.1149 -25.1149 -25.1148 -25.1148 -0.8760 -0.8760 -0.8301 -0.8301 1.2260 1.2260 1.5807 1.5807 1.7331 1.7331 2.0661 2.0661 3.4750 3.4750 3.6925 3.6925 4.3450 4.3450 4.4184 4.4184 5.0030 5.0030 5.8339 5.8339 5.9058 5.9058 6.1619 6.1619 6.2770 6.2770 6.5378 6.5378 6.6946 6.6946 7.0140 7.0140 7.2753 7.2753 8.1027 8.1027 8.1625 8.1625 8.1726 8.1726 8.9458 8.9458 9.2021 9.2021 9.5376 9.5376 9.6473 9.6473 k = 0.0167-0.0118 0.6124 ( 8770 PWs) bands (ev): -51.7034 -51.7034 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -0.8804 -0.8804 -0.8342 -0.8342 1.2832 1.2832 1.5162 1.5162 1.8110 1.8110 1.9811 1.9811 3.5468 3.5468 3.7914 3.7914 4.2484 4.2484 4.3467 4.3467 5.0110 5.0110 5.8304 5.8304 5.9351 5.9351 6.1290 6.1290 6.2839 6.2839 6.5291 6.5291 6.6907 6.6907 7.0649 7.0649 7.2067 7.2067 8.1082 8.1082 8.1580 8.1580 8.1715 8.1715 8.9366 8.9366 9.2035 9.2035 9.5504 9.5504 9.6203 9.6203 k = 0.0000 0.0000 0.6124 ( 8758 PWs) bands (ev): -51.7034 -51.7034 -27.5865 -27.5865 -25.1149 -25.1149 -25.1148 -25.1148 -0.8819 -0.8819 -0.8355 -0.8355 1.3113 1.3113 1.4857 1.4857 1.8751 1.8751 1.9147 1.9147 3.5739 3.5739 3.8356 3.8356 4.2049 4.2049 4.3196 4.3196 5.0137 5.0137 5.8293 5.8293 5.9474 5.9474 6.1156 6.1156 6.2863 6.2863 6.5262 6.5262 6.6894 6.6894 7.1019 7.1019 7.1637 7.1637 8.1097 8.1097 8.1564 8.1564 8.1716 8.1716 8.9334 8.9334 9.2041 9.2041 9.5579 9.5579 9.6079 9.6079 k = 0.0000 0.0000 0.6124 ( 8758 PWs) bands (ev): -51.7034 -51.7034 -27.5865 -27.5865 -25.1149 -25.1149 -25.1148 -25.1148 -0.8819 -0.8819 -0.8355 -0.8355 1.3113 1.3113 1.4857 1.4857 1.8751 1.8751 1.9147 1.9147 3.5739 3.5739 3.8356 3.8356 4.2049 4.2049 4.3196 4.3196 5.0137 5.0137 5.8293 5.8293 5.9474 5.9474 6.1156 6.1156 6.2863 6.2863 6.5262 6.5262 6.6894 6.6894 7.1019 7.1019 7.1637 7.1637 8.1097 8.1097 8.1564 8.1564 8.1716 8.1716 8.9334 8.9334 9.2041 9.2041 9.5579 9.5579 9.6079 9.6079 k = 0.0000 0.0000 0.5920 ( 8770 PWs) bands (ev): -51.7034 -51.7034 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -0.9455 -0.9455 -0.7693 -0.7693 1.3127 1.3127 1.4869 1.4869 1.8766 1.8766 1.9160 1.9160 3.5689 3.5689 3.8236 3.8236 4.2110 4.2110 4.3333 4.3333 5.0038 5.0038 5.8187 5.8187 5.8890 5.8890 6.1600 6.1600 6.2819 6.2819 6.5479 6.5479 6.6698 6.6698 7.1013 7.1013 7.1885 7.1885 8.1100 8.1100 8.1533 8.1533 8.1708 8.1708 8.9360 8.9360 9.2081 9.2081 9.5578 9.5578 9.6114 9.6114 k = 0.0000 0.0000 0.5715 ( 8754 PWs) bands (ev): -51.7033 -51.7033 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -1.0251 -1.0251 -0.6819 -0.6819 1.3167 1.3167 1.4903 1.4903 1.8810 1.8810 1.9197 1.9197 3.5546 3.5546 3.7911 3.7911 4.2280 4.2280 4.3714 4.3714 4.9749 4.9749 5.7778 5.7778 5.7896 5.7896 6.2310 6.2310 6.2688 6.2688 6.6020 6.6020 6.6231 6.6231 7.1152 7.1152 7.2410 7.2410 8.1071 8.1071 8.1429 8.1429 8.1739 8.1739 8.9438 8.9438 9.2202 9.2202 9.5597 9.5597 9.6206 9.6206 k = 0.0000 0.0000 0.5511 ( 8746 PWs) bands (ev): -51.7033 -51.7033 -27.5865 -27.5865 -25.1149 -25.1149 -25.1148 -25.1148 -1.1030 -1.1030 -0.5909 -0.5909 1.3234 1.3234 1.4961 1.4961 1.8885 1.8885 1.9259 1.9259 3.5324 3.5324 3.7453 3.7453 4.2537 4.2537 4.4270 4.4270 4.9294 4.9294 5.6549 5.6549 5.7422 5.7422 6.2430 6.2430 6.3022 6.3022 6.5380 6.5380 6.7002 6.7002 7.1482 7.1482 7.3021 7.3021 8.0865 8.0865 8.1378 8.1378 8.1841 8.1841 8.9571 8.9571 9.2398 9.2398 9.5681 9.5681 9.6332 9.6332 k = 0.0000 0.0000 0.5307 ( 8764 PWs) bands (ev): -51.7034 -51.7034 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -1.1784 -1.1784 -0.4971 -0.4971 1.3329 1.3329 1.5042 1.5042 1.8989 1.8989 1.9345 1.9345 3.5042 3.5042 3.6924 3.6924 4.2855 4.2855 4.4943 4.4943 4.8702 4.8702 5.5258 5.5258 5.6840 5.6840 6.2067 6.2067 6.3679 6.3679 6.4527 6.4527 6.8045 6.8045 7.1936 7.1936 7.3648 7.3648 8.0469 8.0469 8.1406 8.1406 8.2027 8.2027 8.9764 8.9764 9.2657 9.2657 9.5867 9.5867 9.6485 9.6485 k = 0.0000 0.0000 0.5103 ( 8762 PWs) bands (ev): -51.7034 -51.7034 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -1.2513 -1.2513 -0.4007 -0.4007 1.3450 1.3450 1.5145 1.5145 1.9123 1.9123 1.9457 1.9457 3.4718 3.4718 3.6361 3.6361 4.3207 4.3207 4.5691 4.5691 4.8004 4.8004 5.3942 5.3942 5.6189 5.6189 6.1537 6.1537 6.3573 6.3573 6.4427 6.4427 6.9148 6.9148 7.2430 7.2430 7.4267 7.4267 7.9979 7.9979 8.1444 8.1444 8.2316 8.2316 9.0022 9.0022 9.2961 9.2961 9.6170 9.6170 9.6679 9.6679 k = 0.0000 0.0000 0.4899 ( 8752 PWs) bands (ev): -51.7033 -51.7033 -27.5865 -27.5865 -25.1149 -25.1149 -25.1148 -25.1148 -1.3214 -1.3214 -0.3018 -0.3018 1.3598 1.3598 1.5272 1.5272 1.9286 1.9286 1.9593 1.9593 3.4366 3.4366 3.5786 3.5786 4.3567 4.3567 4.6488 4.6488 4.7225 4.7225 5.2619 5.2619 5.5513 5.5513 6.0803 6.0803 6.2761 6.2761 6.5102 6.5102 7.0244 7.0244 7.2883 7.2883 7.4871 7.4871 7.9469 7.9469 8.1472 8.1472 8.2719 8.2719 9.0352 9.0352 9.3286 9.3286 9.6541 9.6541 9.6988 9.6988 k = 0.0000 0.0000 0.4695 ( 8733 PWs) bands (ev): -51.7033 -51.7033 -27.5865 -27.5865 -25.1149 -25.1149 -25.1148 -25.1148 -1.3889 -1.3889 -0.2004 -0.2004 1.3772 1.3772 1.5421 1.5421 1.9478 1.9478 1.9753 1.9753 3.3998 3.3998 3.5213 3.5213 4.3905 4.3905 4.6385 4.6385 4.7316 4.7316 5.1299 5.1299 5.4855 5.4855 5.9876 5.9876 6.2007 6.2007 6.5796 6.5796 7.1285 7.1285 7.3227 7.3227 7.5443 7.5443 7.9018 7.9018 8.1483 8.1483 8.3251 8.3251 9.0762 9.0762 9.3619 9.3619 9.6851 9.6851 9.7545 9.7545 k = 0.0000 0.0000 0.4491 ( 8739 PWs) bands (ev): -51.7033 -51.7033 -27.5865 -27.5865 -25.1149 -25.1149 -25.1148 -25.1148 -1.4536 -1.4536 -0.0966 -0.0966 1.3973 1.3973 1.5594 1.5594 1.9699 1.9699 1.9939 1.9939 3.3622 3.3622 3.4649 3.4649 4.4187 4.4187 4.5505 4.5505 4.8157 4.8157 4.9986 4.9986 5.4258 5.4258 5.8817 5.8817 6.1277 6.1277 6.6490 6.6490 7.2228 7.2228 7.3417 7.3417 7.5941 7.5941 7.8729 7.8729 8.1475 8.1475 8.3923 8.3923 9.1256 9.1256 9.3958 9.3958 9.7115 9.7115 9.8320 9.8320 k = 0.0000 0.0000 0.4287 ( 8755 PWs) bands (ev): -51.7033 -51.7033 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -1.5155 -1.5155 0.0096 0.0096 1.4201 1.4201 1.5788 1.5788 1.9947 1.9947 2.0150 2.0150 3.3246 3.3246 3.4101 3.4101 4.4373 4.4373 4.4597 4.4597 4.8681 4.8681 4.8995 4.8995 5.3770 5.3770 5.7697 5.7697 6.0523 6.0523 6.7172 6.7172 7.2975 7.2975 7.3503 7.3503 7.6307 7.6307 7.8695 7.8695 8.1447 8.1447 8.4747 8.4747 9.1839 9.1839 9.4309 9.4309 9.7388 9.7388 9.9231 9.9231 k = 0.0000 0.0000 0.4082 ( 8751 PWs) bands (ev): -51.7033 -51.7033 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -1.5747 -1.5747 0.1181 0.1181 1.4455 1.4455 1.6005 1.6005 2.0223 2.0223 2.0385 2.0385 3.2874 3.2874 3.3571 3.3571 4.3666 4.3666 4.4430 4.4430 4.7399 4.7399 4.9785 4.9785 5.3438 5.3438 5.6575 5.6575 5.9719 5.9719 6.7836 6.7836 7.3063 7.3063 7.3947 7.3947 7.6534 7.6534 7.8915 7.8915 8.1396 8.1396 8.5726 8.5726 9.2516 9.2516 9.4682 9.4682 9.7682 9.7682 10.0227 10.0227 k = 0.0000 0.0000 0.3878 ( 8741 PWs) bands (ev): -51.7033 -51.7033 -27.5865 -27.5865 -25.1149 -25.1149 -25.1148 -25.1148 -1.6310 -1.6310 0.2287 0.2287 1.4735 1.4735 1.6244 1.6244 2.0525 2.0525 2.0648 2.0648 3.2509 3.2509 3.3062 3.3062 4.2726 4.2726 4.4318 4.4318 4.6131 4.6131 5.0462 5.0462 5.3301 5.3301 5.5528 5.5528 5.8856 5.8856 6.8477 6.8477 7.2772 7.2772 7.4525 7.4525 7.6684 7.6684 7.9278 7.9278 8.1321 8.1321 8.6853 8.6853 9.3285 9.3285 9.5087 9.5087 9.8002 9.8002 10.1261 10.1261 k = 0.0000 0.0000 0.3674 ( 8753 PWs) bands (ev): -51.7033 -51.7033 -27.5865 -27.5865 -25.1149 -25.1149 -25.1148 -25.1148 -1.6846 -1.6846 0.3416 0.3416 1.5041 1.5041 1.6505 1.6505 2.0848 2.0848 2.0939 2.0939 3.2154 3.2154 3.2576 3.2576 4.1782 4.1782 4.4032 4.4032 4.4883 4.4883 5.0862 5.0862 5.3370 5.3370 5.4714 5.4714 5.7946 5.7946 6.9091 6.9091 7.2395 7.2395 7.5020 7.5020 7.6812 7.6812 7.9666 7.9666 8.1224 8.1224 8.8116 8.8116 9.4147 9.4147 9.5525 9.5525 9.8349 9.8349 10.2286 10.2286 k = 0.0000 0.0000 0.3470 ( 8741 PWs) bands (ev): -51.7033 -51.7033 -27.5865 -27.5865 -25.1149 -25.1149 -25.1148 -25.1148 -1.7353 -1.7353 0.4565 0.4565 1.5373 1.5373 1.6788 1.6788 2.1184 2.1184 2.1267 2.1267 3.1810 3.1810 3.2115 3.2115 4.0838 4.0838 4.3581 4.3581 4.3660 4.3660 5.0722 5.0722 5.3575 5.3575 5.4403 5.4403 5.7039 5.7039 6.9674 6.9674 7.2008 7.2008 7.5426 7.5426 7.6935 7.6935 8.0007 8.0007 8.1104 8.1104 8.9496 8.9496 9.5097 9.5097 9.5986 9.5986 9.8727 9.8727 10.3247 10.3247 k = 0.0000 0.0000 0.3266 ( 8741 PWs) bands (ev): -51.7033 -51.7033 -27.5865 -27.5865 -25.1149 -25.1149 -25.1148 -25.1148 -1.7832 -1.7832 0.5735 0.5735 1.5730 1.5730 1.7091 1.7091 2.1529 2.1529 2.1636 2.1636 3.1478 3.1478 3.1683 3.1683 3.9899 3.9899 4.2450 4.2450 4.3007 4.3007 5.0008 5.0008 5.3827 5.3827 5.4492 5.4492 5.6345 5.6345 7.0221 7.0221 7.1658 7.1658 7.5754 7.5754 7.7054 7.7054 8.0264 8.0264 8.0964 8.0964 9.0975 9.0975 9.6128 9.6128 9.6444 9.6444 9.9147 9.9147 10.4080 10.4080 k = 0.0000 0.0000 0.3062 ( 8733 PWs) bands (ev): -51.7033 -51.7033 -27.5865 -27.5865 -25.1149 -25.1149 -25.1148 -25.1148 -1.8282 -1.8282 0.6923 0.6923 1.6112 1.6112 1.7415 1.7415 2.1889 2.1889 2.2038 2.2038 3.1153 3.1153 3.1286 3.1286 3.8968 3.8968 4.1270 4.1270 4.2331 4.2331 4.8977 4.8977 5.3773 5.3773 5.4541 5.4541 5.6368 5.6368 7.0706 7.0706 7.1397 7.1397 7.6020 7.6020 7.7169 7.7169 8.0417 8.0417 8.0806 8.0806 9.2534 9.2534 9.6823 9.6823 9.7259 9.7259 9.9631 9.9631 10.4719 10.4719 k = 0.0000 0.0000 0.2858 ( 8745 PWs) bands (ev): -51.7033 -51.7033 -27.5865 -27.5865 -25.1149 -25.1149 -25.1148 -25.1148 -1.8704 -1.8704 0.8129 0.8129 1.6519 1.6519 1.7759 1.7759 2.2269 2.2269 2.2465 2.2465 3.0820 3.0820 3.0940 3.0940 3.8048 3.8048 4.0114 4.0114 4.1587 4.1587 4.7810 4.7810 5.2904 5.2904 5.4996 5.4996 5.6964 5.6964 7.0929 7.0929 7.1444 7.1444 7.6235 7.6235 7.7276 7.7276 8.0458 8.0458 8.0638 8.0638 9.4156 9.4156 9.7089 9.7089 9.8444 9.8444 10.0206 10.0206 10.5117 10.5117 k = 0.0000 0.0000 0.2654 ( 8739 PWs) bands (ev): -51.7033 -51.7033 -27.5865 -27.5865 -25.1149 -25.1149 -25.1148 -25.1148 -1.9097 -1.9097 0.9350 0.9350 1.6949 1.6949 1.8123 1.8123 2.2671 2.2671 2.2916 2.2916 3.0482 3.0482 3.0644 3.0644 3.7143 3.7143 3.8984 3.8984 4.0799 4.0799 4.6582 4.6582 5.1794 5.1794 5.5601 5.5601 5.7721 5.7721 7.0858 7.0858 7.1844 7.1844 7.6412 7.6412 7.7374 7.7374 8.0371 8.0371 8.0479 8.0479 9.5829 9.5829 9.7157 9.7157 9.9698 9.9698 10.0880 10.0880 10.5281 10.5281 k = 0.0000 0.0000 0.2449 ( 8753 PWs) bands (ev): -51.7033 -51.7033 -27.5865 -27.5865 -25.1149 -25.1149 -25.1148 -25.1148 -1.9461 -1.9461 1.0586 1.0586 1.7402 1.7402 1.8504 1.8504 2.3095 2.3095 2.3385 2.3385 3.0160 3.0160 3.0379 3.0379 3.6254 3.6254 3.7881 3.7881 3.9983 3.9983 4.5322 4.5322 5.0620 5.0620 5.6268 5.6268 5.8502 5.8502 7.0817 7.0817 7.2286 7.2286 7.6557 7.6557 7.7462 7.7462 8.0186 8.0186 8.0309 8.0309 9.6986 9.6986 9.7544 9.7544 10.1011 10.1011 10.1632 10.1632 10.5282 10.5282 k = 0.0000 0.0000 0.2245 ( 8733 PWs) bands (ev): -51.7033 -51.7033 -27.5865 -27.5865 -25.1149 -25.1149 -25.1148 -25.1148 -1.9796 -1.9796 1.1833 1.1833 1.7877 1.7877 1.8902 1.8902 2.3540 2.3540 2.3871 2.3871 2.9864 2.9864 3.0138 3.0138 3.5386 3.5386 3.6808 3.6808 3.9153 3.9153 4.4043 4.4043 4.9430 4.9430 5.6970 5.6970 5.9258 5.9258 7.0870 7.0870 7.2720 7.2720 7.6677 7.6677 7.7537 7.7537 7.9966 7.9966 8.0080 8.0080 9.6579 9.6579 9.9280 9.9280 10.2371 10.2371 10.2421 10.2421 10.5213 10.5213 k = 0.0000 0.0000 0.2041 ( 8705 PWs) bands (ev): -51.7032 -51.7032 -27.5864 -27.5864 -25.1148 -25.1148 -25.1148 -25.1148 -2.0103 -2.0103 1.3088 1.3088 1.8372 1.8372 1.9316 1.9316 2.4007 2.4007 2.4370 2.4370 2.9596 2.9596 2.9919 2.9919 3.4541 3.4541 3.5765 3.5765 3.8317 3.8317 4.2751 4.2751 4.8250 4.8250 5.7689 5.7689 5.9958 5.9958 7.1033 7.1033 7.3139 7.3139 7.6776 7.6776 7.7598 7.7598 7.9715 7.9715 7.9802 7.9802 9.5945 9.5945 10.1034 10.1034 10.3184 10.3184 10.3778 10.3778 10.5151 10.5151 k = 0.0000 0.0000 0.1837 ( 8709 PWs) bands (ev): -51.7032 -51.7032 -27.5864 -27.5864 -25.1148 -25.1148 -25.1148 -25.1148 -2.0380 -2.0380 1.4346 1.4346 1.8886 1.8886 1.9742 1.9742 2.4494 2.4494 2.4877 2.4877 2.9359 2.9359 2.9721 2.9721 3.3722 3.3722 3.4756 3.4756 3.7484 3.7484 4.1450 4.1450 4.7100 4.7100 5.8413 5.8413 6.0583 6.0583 7.1315 7.1315 7.3544 7.3544 7.6859 7.6859 7.7643 7.7643 7.9395 7.9395 7.9532 7.9532 9.5128 9.5128 10.2793 10.2793 10.3879 10.3879 10.5087 10.5087 10.5251 10.5251 k = 0.0000 0.0000 0.1633 ( 8713 PWs) bands (ev): -51.7032 -51.7032 -27.5865 -27.5865 -25.1148 -25.1148 -25.1148 -25.1148 -2.0628 -2.0628 1.5602 1.5602 1.9414 1.9414 2.0178 2.0178 2.5001 2.5001 2.5387 2.5387 2.9156 2.9156 2.9545 2.9545 3.2934 3.2934 3.3783 3.3783 3.6659 3.6659 4.0144 4.0144 4.5997 4.5997 5.9129 5.9129 6.1119 6.1119 7.1717 7.1717 7.3935 7.3935 7.6926 7.6926 7.7667 7.7667 7.9018 7.9018 7.9278 7.9278 9.4177 9.4177 10.4445 10.4445 10.4549 10.4549 10.5142 10.5142 10.6669 10.6669 k = 0.0000 0.0000 0.1429 ( 8713 PWs) bands (ev): -51.7032 -51.7032 -27.5865 -27.5865 -25.1148 -25.1148 -25.1148 -25.1148 -2.0848 -2.0848 1.6847 1.6847 1.9954 1.9954 2.0619 2.0619 2.5525 2.5525 2.5893 2.5893 2.8988 2.8988 2.9391 2.9391 3.2182 3.2182 3.2851 3.2851 3.5847 3.5847 3.8838 3.8838 4.4957 4.4957 5.9823 5.9823 6.1562 6.1562 7.2231 7.2231 7.4312 7.4312 7.6978 7.6978 7.7657 7.7657 7.8627 7.8627 7.9028 7.9028 9.3146 9.3146 10.4873 10.4873 10.5198 10.5198 10.6279 10.6279 10.8116 10.8116 k = 0.0000 0.0000 0.1225 ( 8709 PWs) bands (ev): -51.7032 -51.7032 -27.5864 -27.5864 -25.1148 -25.1148 -25.1148 -25.1148 -2.1038 -2.1038 1.8067 1.8067 2.0499 2.0499 2.1058 2.1058 2.6063 2.6063 2.6387 2.6387 2.8858 2.8858 2.9261 2.9261 3.1474 3.1474 3.1966 3.1966 3.5054 3.5054 3.7538 3.7538 4.3994 4.3994 6.0481 6.0481 6.1915 6.1915 7.2840 7.2840 7.4677 7.4677 7.7014 7.7014 7.7590 7.7590 7.8266 7.8266 7.8782 7.8782 9.2084 9.2084 10.5132 10.5132 10.5297 10.5297 10.7968 10.7968 10.9537 10.9537 k = 0.0000 0.0000 0.1021 ( 8713 PWs) bands (ev): -51.7032 -51.7032 -27.5865 -27.5865 -25.1148 -25.1148 -25.1148 -25.1148 -2.1199 -2.1199 1.9243 1.9243 2.1039 2.1039 2.1487 2.1487 2.6611 2.6611 2.6863 2.6863 2.8766 2.8766 2.9159 2.9159 3.0821 3.0821 3.1139 3.1139 3.4284 3.4284 3.6256 3.6256 4.3127 4.3127 6.1088 6.1088 6.2187 6.2187 7.3516 7.3516 7.5029 7.5029 7.7021 7.7021 7.7432 7.7432 7.7989 7.7989 7.8548 7.8548 9.1038 9.1038 10.5266 10.5266 10.5407 10.5407 10.9592 10.9592 11.0895 11.0895 k = 0.0000 0.0000 0.0816 ( 8703 PWs) bands (ev): -51.7031 -51.7031 -27.5864 -27.5864 -25.1148 -25.1148 -25.1148 -25.1148 -2.1330 -2.1330 2.0343 2.0343 2.1559 2.1559 2.1893 2.1893 2.7157 2.7157 2.7318 2.7318 2.8706 2.8706 2.9090 2.9090 3.0238 3.0238 3.0385 3.0385 3.3549 3.3549 3.5010 3.5010 4.2374 4.2374 6.1625 6.1625 6.2388 6.2388 7.4223 7.4223 7.5367 7.5367 7.6945 7.6945 7.7249 7.7249 7.7789 7.7789 7.8339 7.8339 9.0056 9.0056 10.5353 10.5353 10.5478 10.5478 11.1110 11.1110 11.2137 11.2137 k = 0.0000 0.0000 0.0612 ( 8697 PWs) bands (ev): -51.7031 -51.7031 -27.5864 -27.5864 -25.1148 -25.1148 -25.1148 -25.1148 -2.1433 -2.1433 2.1321 2.1321 2.2038 2.2038 2.2256 2.2256 2.7677 2.7677 2.7765 2.7765 2.8662 2.8662 2.9063 2.9063 2.9704 2.9704 2.9775 2.9775 3.2862 3.2862 3.3830 3.3830 4.1754 4.1754 6.2074 6.2074 6.2531 6.2531 7.4917 7.4917 7.5690 7.5690 7.6738 7.6738 7.7173 7.7173 7.7595 7.7595 7.8166 7.8166 8.9191 8.9191 10.5419 10.5419 10.5507 10.5507 11.2462 11.2462 11.3189 11.3189 k = 0.0000 0.0000 0.0408 ( 8705 PWs) bands (ev): -51.7032 -51.7032 -27.5864 -27.5864 -25.1148 -25.1148 -25.1148 -25.1148 -2.1506 -2.1506 2.2109 2.2109 2.2437 2.2437 2.2551 2.2551 2.8131 2.8131 2.8206 2.8206 2.8616 2.8616 2.9082 2.9082 2.9183 2.9183 2.9416 2.9416 3.2255 3.2255 3.2772 3.2772 4.1290 4.1290 6.2413 6.2413 6.2626 6.2626 7.5538 7.5538 7.5990 7.5990 7.6524 7.6524 7.7135 7.7135 7.7378 7.7378 7.8026 7.8026 8.8502 8.8502 10.5468 10.5468 10.5513 10.5513 11.3555 11.3555 11.3962 11.3962 k = 0.0000 0.0000 0.0204 ( 8691 PWs) bands (ev): -51.7031 -51.7031 -27.5864 -27.5864 -25.1148 -25.1148 -25.1148 -25.1148 -2.1550 -2.1550 2.2625 2.2625 2.2707 2.2707 2.2754 2.2754 2.8459 2.8459 2.8534 2.8534 2.8627 2.8627 2.8832 2.8832 2.9137 2.9137 2.9228 2.9228 3.1798 3.1798 3.1953 3.1953 4.1001 4.1001 6.2625 6.2625 6.2680 6.2680 7.5998 7.5998 7.6246 7.6246 7.6393 7.6393 7.7085 7.7085 7.7164 7.7164 7.7920 7.7920 8.8053 8.8053 10.5498 10.5498 10.5510 10.5510 11.4276 11.4276 11.4398 11.4398 k = 0.0000 0.0000 0.0000 ( 8685 PWs) bands (ev): -51.7031 -51.7031 -27.5864 -27.5864 -25.1148 -25.1148 -25.1148 -25.1148 -2.1565 -2.1565 2.2796 2.2796 2.2796 2.2796 2.2843 2.2843 2.8473 2.8473 2.8706 2.8706 2.8708 2.8708 2.8708 2.8708 2.9178 2.9178 2.9178 2.9178 3.1616 3.1616 3.1617 3.1617 4.0903 4.0903 6.2697 6.2697 6.2697 6.2697 7.6149 7.6149 7.6379 7.6379 7.6379 7.6379 7.7049 7.7049 7.7049 7.7049 7.7877 7.7877 8.7897 8.7897 10.5509 10.5509 10.5509 10.5509 11.4529 11.4529 11.4529 11.4529 k = 0.0000 0.0000 0.0000 ( 8685 PWs) bands (ev): -51.7031 -51.7031 -27.5864 -27.5864 -25.1148 -25.1148 -25.1148 -25.1148 -2.1565 -2.1565 2.2796 2.2796 2.2796 2.2796 2.2843 2.2843 2.8473 2.8473 2.8706 2.8706 2.8708 2.8708 2.8708 2.8708 2.9178 2.9178 2.9178 2.9178 3.1616 3.1616 3.1617 3.1617 4.0903 4.0903 6.2697 6.2697 6.2697 6.2697 7.6149 7.6149 7.6379 7.6379 7.6379 7.6379 7.7049 7.7049 7.7049 7.7049 7.7877 7.7877 8.7897 8.7897 10.5509 10.5509 10.5509 10.5509 11.4529 11.4529 11.4529 11.4529 k = 0.0069 0.0098 0.0170 ( 8691 PWs) bands (ev): -51.7031 -51.7031 -27.5864 -27.5864 -25.1148 -25.1148 -25.1148 -25.1148 -2.1550 -2.1550 2.2666 2.2666 2.2675 2.2675 2.2728 2.2728 2.8480 2.8480 2.8617 2.8617 2.8630 2.8630 2.8722 2.8722 2.9167 2.9167 2.9190 2.9190 3.1886 3.1886 3.1894 3.1894 4.1005 4.1005 6.2650 6.2650 6.2651 6.2651 7.5967 7.5967 7.6291 7.6291 7.6369 7.6369 7.7100 7.7100 7.7155 7.7155 7.7920 7.7920 8.8060 8.8060 10.5504 10.5504 10.5504 10.5504 11.4329 11.4329 11.4331 11.4331 k = 0.0139 0.0196 0.0340 ( 8706 PWs) bands (ev): -51.7032 -51.7032 -27.5864 -27.5864 -25.1148 -25.1148 -25.1148 -25.1148 -2.1504 -2.1504 2.2289 2.2289 2.2294 2.2294 2.2427 2.2427 2.8390 2.8390 2.8420 2.8420 2.8595 2.8595 2.8765 2.8765 2.9173 2.9173 2.9242 2.9242 3.2574 3.2574 3.2597 3.2597 4.1306 4.1306 6.2512 6.2512 6.2514 6.2514 7.5392 7.5392 7.6259 7.6259 7.6346 7.6346 7.7241 7.7241 7.7325 7.7325 7.8014 7.8014 8.8529 8.8529 10.5487 10.5487 10.5489 10.5489 11.3728 11.3728 11.3735 11.3735 k = 0.0208 0.0295 0.0510 ( 8700 PWs) bands (ev): -51.7031 -51.7031 -27.5864 -27.5864 -25.1148 -25.1148 -25.1148 -25.1148 -2.1427 -2.1427 2.1698 2.1698 2.1704 2.1704 2.1966 2.1966 2.8241 2.8241 2.8243 2.8243 2.8674 2.8674 2.8837 2.8837 2.9213 2.9213 2.9340 2.9340 3.3508 3.3508 3.3542 3.3542 4.1790 4.1790 6.2289 6.2289 6.2292 6.2292 7.4614 7.4614 7.6247 7.6247 7.6319 7.6319 7.7457 7.7457 7.7482 7.7482 7.8122 7.8122 8.9252 8.9252 10.5447 10.5447 10.5453 10.5453 11.2760 11.2760 11.2773 11.2773 k = 0.0278 0.0393 0.0680 ( 8700 PWs) bands (ev): -51.7031 -51.7031 -27.5864 -27.5864 -25.1148 -25.1148 -25.1148 -25.1148 -2.1321 -2.1321 2.0946 2.0946 2.0965 2.0965 2.1371 2.1371 2.8142 2.8142 2.8159 2.8159 2.8782 2.8782 2.8938 2.8938 2.9280 2.9280 2.9481 2.9481 3.4586 3.4586 3.4626 3.4626 4.2434 4.2434 6.1989 6.1989 6.1995 6.1995 7.3719 7.3719 7.6235 7.6235 7.6295 7.6295 7.7582 7.7582 7.7731 7.7731 7.8270 7.8270 9.0171 9.0171 10.5364 10.5364 10.5372 10.5372 11.1529 11.1529 11.1548 11.1548 k = 0.0347 0.0491 0.0851 ( 8706 PWs) bands (ev): -51.7032 -51.7032 -27.5864 -27.5864 -25.1148 -25.1148 -25.1148 -25.1148 -2.1184 -2.1184 2.0092 2.0092 2.0122 2.0122 2.0671 2.0671 2.8119 2.8119 2.8149 2.8149 2.8906 2.8906 2.9068 2.9068 2.9372 2.9372 2.9662 2.9662 3.5756 3.5756 3.5802 3.5802 4.3213 4.3213 6.1626 6.1626 6.1635 6.1635 7.2749 7.2749 7.6219 7.6219 7.6274 7.6274 7.7583 7.7583 7.8050 7.8050 7.8499 7.8499 9.1230 9.1230 10.5184 10.5184 10.5193 10.5193 11.0189 11.0189 11.0215 11.0215 k = 0.0417 0.0589 0.1021 ( 8709 PWs) bands (ev): -51.7032 -51.7032 -27.5864 -27.5864 -25.1148 -25.1148 -25.1148 -25.1148 -2.1016 -2.1016 1.9175 1.9175 1.9214 1.9214 1.9894 1.9894 2.8162 2.8162 2.8202 2.8202 2.9044 2.9044 2.9226 2.9226 2.9485 2.9485 2.9879 2.9879 3.6991 3.6991 3.7039 3.7039 4.4104 4.4104 6.1210 6.1210 6.1222 6.1222 7.1734 7.1734 7.6196 7.6196 7.6255 7.6255 7.7492 7.7492 7.8398 7.8398 7.8798 7.8798 9.2388 9.2388 10.4793 10.4793 10.4800 10.4800 10.8935 10.8935 10.8973 10.8973 k = 0.0486 0.0687 0.1191 ( 8715 PWs) bands (ev): -51.7032 -51.7032 -27.5865 -27.5865 -25.1148 -25.1148 -25.1148 -25.1148 -2.0818 -2.0818 1.8223 1.8223 1.8269 1.8269 1.9059 1.9059 2.8260 2.8260 2.8306 2.8306 2.9198 2.9198 2.9414 2.9414 2.9620 2.9620 3.0130 3.0130 3.8272 3.8272 3.8322 3.8322 4.5084 4.5084 6.0754 6.0754 6.0770 6.0770 7.0696 7.0696 7.6163 7.6163 7.6238 7.6238 7.7334 7.7334 7.8762 7.8762 7.9136 7.9136 9.3610 9.3610 10.4013 10.4013 10.4015 10.4015 10.8003 10.8003 10.8058 10.8058 k = 0.0556 0.0786 0.1361 ( 8706 PWs) bands (ev): -51.7032 -51.7032 -27.5864 -27.5864 -25.1148 -25.1148 -25.1148 -25.1148 -2.0589 -2.0589 1.7253 1.7253 1.7305 1.7305 1.8184 1.8184 2.8403 2.8403 2.8454 2.8454 2.9369 2.9369 2.9630 2.9630 2.9776 2.9776 3.0413 3.0413 3.9587 3.9587 3.9637 3.9637 4.6133 4.6133 6.0269 6.0269 6.0290 6.0290 6.9649 6.9649 7.6113 7.6113 7.6220 7.6220 7.7132 7.7132 7.9128 7.9128 7.9488 7.9488 9.4868 9.4868 10.2778 10.2778 10.2780 10.2780 10.7494 10.7494 10.7565 10.7565 k = 0.0625 0.0884 0.1531 ( 8703 PWs) bands (ev): -51.7031 -51.7031 -27.5864 -27.5864 -25.1148 -25.1148 -25.1148 -25.1148 -2.0331 -2.0331 1.6278 1.6278 1.6335 1.6335 1.7282 1.7282 2.8585 2.8585 2.8639 2.8639 2.9558 2.9558 2.9875 2.9875 2.9954 2.9954 3.0727 3.0727 4.0924 4.0924 4.0976 4.0976 4.7234 4.7234 5.9767 5.9767 5.9792 5.9792 6.8606 6.8606 7.6030 7.6030 7.6203 7.6203 7.6906 7.6906 7.9481 7.9481 7.9834 7.9834 9.6136 9.6136 10.1245 10.1245 10.1245 10.1245 10.7284 10.7284 10.7367 10.7367 k = 0.0694 0.0982 0.1701 ( 8715 PWs) bands (ev): -51.7032 -51.7032 -27.5865 -27.5865 -25.1148 -25.1148 -25.1148 -25.1148 -2.0042 -2.0042 1.5307 1.5307 1.5368 1.5368 1.6364 1.6364 2.8801 2.8801 2.8858 2.8858 2.9767 2.9767 3.0149 3.0149 3.0153 3.0153 3.1073 3.1073 4.2274 4.2274 4.2327 4.2327 4.8370 4.8370 5.9259 5.9259 5.9288 5.9288 6.7577 6.7577 7.5886 7.5886 7.6183 7.6183 7.6688 7.6688 7.9806 7.9806 8.0156 8.0156 9.7387 9.7387 9.9573 9.9573 9.9577 9.9577 10.7227 10.7227 10.7321 10.7321 k = 0.0764 0.1080 0.1871 ( 8727 PWs) bands (ev): -51.7032 -51.7032 -27.5865 -27.5865 -25.1148 -25.1148 -25.1148 -25.1148 -1.9723 -1.9723 1.4346 1.4346 1.4409 1.4409 1.5437 1.5437 2.9049 2.9049 2.9107 2.9107 2.9997 2.9997 3.0373 3.0373 3.0452 3.0452 3.1449 3.1449 4.3627 4.3627 4.3681 4.3681 4.9526 4.9526 5.8757 5.8757 5.8791 5.8791 6.6571 6.6571 7.5645 7.5645 7.6161 7.6161 7.6514 7.6514 8.0085 8.0085 8.0437 8.0437 9.7858 9.7858 9.7869 9.7869 9.8595 9.8595 10.7247 10.7247 10.7350 10.7350 k = 0.0833 0.1179 0.2041 ( 8721 PWs) bands (ev): -51.7032 -51.7032 -27.5865 -27.5865 -25.1148 -25.1148 -25.1148 -25.1148 -1.9373 -1.9373 1.3397 1.3397 1.3464 1.3464 1.4508 1.4508 2.9326 2.9326 2.9384 2.9384 3.0249 3.0249 3.0615 3.0615 3.0783 3.0783 3.1856 3.1856 4.4969 4.4969 4.5026 4.5026 5.0685 5.0685 5.8274 5.8274 5.8312 5.8312 6.5599 6.5599 7.5301 7.5301 7.6134 7.6134 7.6390 7.6390 8.0301 8.0301 8.0658 8.0658 9.6160 9.6160 9.6179 9.6179 9.9716 9.9716 10.7304 10.7304 10.7414 10.7414 k = 0.0903 0.1277 0.2211 ( 8739 PWs) bands (ev): -51.7033 -51.7033 -27.5865 -27.5865 -25.1149 -25.1149 -25.1148 -25.1148 -1.8994 -1.8994 1.2465 1.2465 1.2534 1.2534 1.3582 1.3582 2.9629 2.9629 2.9687 2.9687 3.0523 3.0523 3.0879 3.0879 3.1142 3.1142 3.2295 3.2295 4.6283 4.6283 4.6342 4.6342 5.1829 5.1829 5.7830 5.7830 5.7872 5.7872 6.4672 6.4672 7.4872 7.4872 7.6099 7.6099 7.6296 7.6296 8.0429 8.0429 8.0798 8.0798 9.4520 9.4520 9.4550 9.4550 10.0715 10.0715 10.7376 10.7376 10.7488 10.7488 k = 0.0972 0.1375 0.2381 ( 8751 PWs) bands (ev): -51.7033 -51.7033 -27.5865 -27.5865 -25.1149 -25.1149 -25.1148 -25.1148 -1.8585 -1.8585 1.1551 1.1551 1.1623 1.1623 1.2663 1.2663 2.9958 2.9958 3.0013 3.0013 3.0821 3.0821 3.1166 3.1166 3.1531 3.1531 3.2764 3.2764 4.7541 4.7541 4.7604 4.7604 5.2931 5.2931 5.7450 5.7450 5.7494 5.7494 6.3810 6.3810 7.4378 7.4378 7.6054 7.6054 7.6206 7.6206 8.0444 8.0444 8.0830 8.0830 9.2982 9.2982 9.3025 9.3025 10.1545 10.1545 10.7446 10.7446 10.7556 10.7556 k = 0.1042 0.1473 0.2552 ( 8763 PWs) bands (ev): -51.7034 -51.7034 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -1.8146 -1.8146 1.0658 1.0658 1.0732 1.0732 1.1755 1.1755 3.0310 3.0310 3.0360 3.0360 3.1144 3.1144 3.1476 3.1476 3.1948 3.1948 3.3265 3.3265 4.8702 4.8702 4.8771 4.8771 5.3952 5.3952 5.7174 5.7174 5.7218 5.7218 6.3041 6.3041 7.3831 7.3831 7.5991 7.5991 7.6104 7.6104 8.0315 8.0315 8.0728 8.0728 9.1590 9.1590 9.1651 9.1651 10.2174 10.2174 10.7501 10.7501 10.7603 10.7603 k = 0.1111 0.1571 0.2722 ( 8745 PWs) bands (ev): -51.7033 -51.7033 -27.5865 -27.5865 -25.1149 -25.1149 -25.1148 -25.1148 -1.7677 -1.7677 0.9786 0.9786 0.9862 0.9862 1.0860 1.0860 3.0684 3.0684 3.0726 3.0726 3.1493 3.1493 3.1809 3.1809 3.2393 3.2393 3.3796 3.3796 4.9704 4.9704 4.9780 4.9780 5.4835 5.4835 5.7060 5.7060 5.7102 5.7102 6.2417 6.2417 7.3239 7.3239 7.5897 7.5897 7.5968 7.5968 8.0018 8.0018 8.0467 8.0467 9.0393 9.0393 9.0475 9.0475 10.2589 10.2589 10.7531 10.7531 10.7620 10.7620 k = 0.1181 0.1670 0.2892 ( 8742 PWs) bands (ev): -51.7033 -51.7033 -27.5865 -27.5865 -25.1149 -25.1149 -25.1148 -25.1148 -1.7178 -1.7178 0.8936 0.8936 0.9014 0.9014 0.9981 0.9981 3.1076 3.1076 3.1108 3.1108 3.1871 3.1871 3.2168 3.2168 3.2867 3.2867 3.4358 3.4358 5.0468 5.0468 5.0553 5.0553 5.5491 5.5491 5.7180 5.7180 5.7218 5.7218 6.2014 6.2014 7.2609 7.2609 7.5749 7.5749 7.5771 7.5771 7.9549 7.9549 8.0046 8.0046 8.9430 8.9430 8.9533 8.9533 10.2803 10.2803 10.7528 10.7528 10.7601 10.7601 k = 0.1250 0.1768 0.3062 ( 8760 PWs) bands (ev): -51.7034 -51.7034 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -1.6650 -1.6650 0.8110 0.8110 0.8190 0.8190 0.9120 0.9120 3.1485 3.1485 3.1504 3.1504 3.2279 3.2279 3.2553 3.2553 3.3369 3.3369 3.4951 3.4951 5.0931 5.0931 5.1026 5.1026 5.5826 5.5826 5.7581 5.7581 5.7621 5.7621 6.1916 6.1916 7.1952 7.1952 7.5469 7.5469 7.5505 7.5505 7.8954 7.8954 7.9508 7.9508 8.8714 8.8714 8.8839 8.8839 10.2849 10.2849 10.7339 10.7339 10.7489 10.7489 k = 0.1319 0.1866 0.3232 ( 8748 PWs) bands (ev): -51.7033 -51.7033 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -1.6092 -1.6092 0.7308 0.7308 0.7390 0.7390 0.8277 0.8277 3.1908 3.1908 3.1911 3.1911 3.2717 3.2717 3.2966 3.2966 3.3899 3.3899 3.5573 3.5573 5.1101 5.1101 5.1204 5.1204 5.5803 5.5803 5.8242 5.8242 5.8290 5.8290 6.2140 6.2140 7.1282 7.1282 7.5005 7.5005 7.5093 7.5093 7.8341 7.8341 7.8948 7.8948 8.8228 8.8228 8.8373 8.8373 10.2770 10.2770 10.6552 10.6552 10.7405 10.7405 k = 0.1389 0.1964 0.3402 ( 8748 PWs) bands (ev): -51.7033 -51.7033 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -1.5505 -1.5505 0.6530 0.6530 0.6614 0.6614 0.7456 0.7456 3.2328 3.2328 3.2342 3.2342 3.3186 3.3186 3.3409 3.3409 3.4458 3.4458 3.6225 3.6225 5.1048 5.1048 5.1158 5.1158 5.5485 5.5485 5.9075 5.9075 5.9134 5.9134 6.2587 6.2587 7.0623 7.0623 7.4336 7.4336 7.4448 7.4448 7.7841 7.7841 7.8471 7.8471 8.7934 8.7934 8.8098 8.8098 10.2603 10.2603 10.5803 10.5803 10.7281 10.7281 k = 0.1458 0.2062 0.3572 ( 8742 PWs) bands (ev): -51.7033 -51.7033 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -1.4889 -1.4889 0.5778 0.5778 0.5863 0.5863 0.6656 0.6656 3.2754 3.2754 3.2785 3.2785 3.3685 3.3685 3.3881 3.3881 3.5045 3.5045 3.6904 3.6904 5.0853 5.0853 5.0969 5.0969 5.4981 5.4981 5.9964 5.9964 6.0034 6.0034 6.3103 6.3103 7.0017 7.0017 7.3488 7.3488 7.3588 7.3588 7.7514 7.7514 7.8135 7.8135 8.7791 8.7791 8.7974 8.7974 10.2385 10.2385 10.5106 10.5106 10.7113 10.7113 k = 0.1528 0.2161 0.3742 ( 8742 PWs) bands (ev): -51.7033 -51.7033 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -1.4244 -1.4244 0.5051 0.5051 0.5138 0.5138 0.5879 0.5879 3.3188 3.3188 3.3234 3.3234 3.4214 3.4214 3.4384 3.4384 3.5660 3.5660 3.7611 3.7611 5.0577 5.0577 5.0699 5.0699 5.4375 5.4375 6.0792 6.0792 6.0875 6.0875 6.3528 6.3528 6.9533 6.9533 7.2562 7.2562 7.2633 7.2633 7.7332 7.7332 7.7928 7.7928 8.7767 8.7767 8.7970 8.7970 10.2145 10.2145 10.4468 10.4468 10.6893 10.6894 k = 0.1597 0.2259 0.3912 ( 8754 PWs) bands (ev): -51.7033 -51.7033 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -1.3570 -1.3570 0.4349 0.4349 0.4438 0.4438 0.5127 0.5127 3.3629 3.3629 3.3688 3.3688 3.4770 3.4770 3.4917 3.4917 3.6303 3.6303 3.8344 3.8344 5.0259 5.0259 5.0388 5.0388 5.3717 5.3717 6.1431 6.1431 6.1530 6.1530 6.3716 6.3716 6.9262 6.9262 7.1701 7.1701 7.1741 7.1741 7.7248 7.7248 7.7819 7.7819 8.7844 8.7844 8.8066 8.8066 10.1906 10.1906 10.3892 10.3892 10.6629 10.6629 k = 0.1667 0.2357 0.4082 ( 8748 PWs) bands (ev): -51.7033 -51.7033 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -1.2867 -1.2867 0.3674 0.3674 0.3764 0.3764 0.4398 0.4398 3.4077 3.4077 3.4145 3.4145 3.5352 3.5352 3.5479 3.5479 3.6973 3.6973 3.9100 3.9100 4.9925 4.9925 5.0059 5.0059 5.3038 5.3038 6.1744 6.1744 6.1856 6.1856 6.3569 6.3569 6.9269 6.9269 7.1061 7.1061 7.1076 7.1076 7.7231 7.7231 7.7781 7.7781 8.8013 8.8013 8.8253 8.8253 10.1682 10.1682 10.3384 10.3384 10.6323 10.6323 k = 0.1736 0.2455 0.4253 ( 8754 PWs) bands (ev): -51.7033 -51.7033 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -1.2135 -1.2135 0.3025 0.3025 0.3117 0.3117 0.3696 0.3696 3.4531 3.4531 3.4604 3.4604 3.5958 3.5958 3.6069 3.6069 3.7671 3.7671 3.9878 3.9878 4.9589 4.9589 4.9728 4.9728 5.2353 5.2353 6.1616 6.1616 6.1733 6.1733 6.3099 6.3099 6.9521 6.9521 7.0760 7.0760 7.0762 7.0762 7.7265 7.7265 7.7795 7.7795 8.8275 8.8275 8.8529 8.8529 10.1464 10.1464 10.2965 10.2965 10.5975 10.5975 k = 0.1806 0.2553 0.4423 ( 8754 PWs) bands (ev): -51.7033 -51.7033 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -1.1375 -1.1375 0.2403 0.2403 0.2496 0.2496 0.3020 0.3020 3.4988 3.4988 3.5062 3.5062 3.6585 3.6585 3.6683 3.6683 3.8397 3.8397 4.0672 4.0672 4.9264 4.9264 4.9408 4.9408 5.1675 5.1675 6.1035 6.1035 6.1148 6.1148 6.2392 6.2392 6.9920 6.9920 7.0804 7.0804 7.0815 7.0815 7.7346 7.7346 7.7854 7.7854 8.8634 8.8634 8.8898 8.8898 10.1221 10.1221 10.2671 10.2671 10.5585 10.5586 k = 0.1875 0.2652 0.4593 ( 8760 PWs) bands (ev): -51.7034 -51.7034 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -1.0587 -1.0587 0.1807 0.1807 0.1901 0.1901 0.2370 0.2370 3.5446 3.5446 3.5518 3.5518 3.7231 3.7231 3.7320 3.7320 3.9149 3.9149 4.1477 4.1477 4.8959 4.8959 4.9107 4.9107 5.1011 5.1011 6.0097 6.0097 6.0199 6.0199 6.1537 6.1537 7.0377 7.0377 7.1095 7.1095 7.1115 7.1115 7.7471 7.7471 7.7951 7.7951 8.9098 8.9098 8.9365 8.9365 10.0914 10.0914 10.2543 10.2543 10.5160 10.5161 k = 0.1944 0.2750 0.4763 ( 8775 PWs) bands (ev): -51.7034 -51.7034 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -0.9771 -0.9771 0.1238 0.1238 0.1333 0.1333 0.1748 0.1748 3.5902 3.5902 3.5969 3.5969 3.7892 3.7892 3.7975 3.7975 3.9927 3.9927 4.2282 4.2282 4.8680 4.8680 4.8831 4.8831 5.0370 5.0370 5.8925 5.8925 5.9018 5.9018 6.0595 6.0595 7.0836 7.0836 7.1497 7.1497 7.1526 7.1526 7.7638 7.7638 7.8080 7.8080 8.9675 8.9675 8.9939 8.9939 10.0537 10.0537 10.2581 10.2581 10.4708 10.4708 k = 0.2014 0.2848 0.4933 ( 8787 PWs) bands (ev): -51.7035 -51.7035 -27.5866 -27.5866 -25.1149 -25.1149 -25.1149 -25.1149 -0.8927 -0.8927 0.0696 0.0696 0.0793 0.0793 0.1153 0.1153 3.6350 3.6350 3.6409 3.6409 3.8566 3.8566 3.8646 3.8646 4.0730 4.0730 4.3069 4.3069 4.8435 4.8435 4.8587 4.8587 4.9769 4.9769 5.7619 5.7619 5.7704 5.7704 5.9607 5.9607 7.1267 7.1267 7.1904 7.1904 7.1949 7.1949 7.7840 7.7840 7.8234 7.8234 9.0368 9.0368 9.0621 9.0621 10.0110 10.0110 10.2749 10.2749 10.4242 10.4242 k = 0.2083 0.2946 0.5103 ( 8781 PWs) bands (ev): -51.7034 -51.7034 -27.5866 -27.5866 -25.1149 -25.1149 -25.1149 -25.1149 -0.8055 -0.8055 0.0181 0.0181 0.0279 0.0279 0.0587 0.0587 3.6785 3.6785 3.6834 3.6834 3.9248 3.9248 3.9327 3.9327 4.1556 4.1556 4.3806 4.3806 4.8230 4.8230 4.8381 4.8381 4.9233 4.9233 5.6245 5.6245 5.6325 5.6325 5.8603 5.8603 7.1652 7.1652 7.2258 7.2258 7.2324 7.2324 7.8065 7.8065 7.8400 7.8400 9.1173 9.1173 9.1407 9.1407 9.9651 9.9651 10.3004 10.3004 10.3781 10.3784 k = 0.2153 0.3044 0.5273 ( 8775 PWs) bands (ev): -51.7034 -51.7034 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -0.7155 -0.7155 -0.0307 -0.0307 -0.0207 -0.0207 0.0049 0.0049 3.7197 3.7197 3.7235 3.7235 3.9932 3.9932 4.0014 4.0014 4.2399 4.2399 4.4429 4.4429 4.8070 4.8070 4.8216 4.8216 4.8822 4.8822 5.4850 5.4850 5.4930 5.4930 5.7609 5.7609 7.1983 7.1983 7.2534 7.2534 7.2627 7.2627 7.8296 7.8296 7.8566 7.8566 9.2073 9.2073 9.2282 9.2282 9.9166 9.9166 10.3268 10.3268 10.3361 10.3361 k = 0.2222 0.3143 0.5443 ( 8772 PWs) bands (ev): -51.7034 -51.7034 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -0.6229 -0.6229 -0.0767 -0.0767 -0.0666 -0.0666 -0.0460 -0.0460 3.7576 3.7576 3.7602 3.7602 4.0609 4.0609 4.0698 4.0698 4.3239 4.3239 4.4840 4.4840 4.7955 4.7955 4.8092 4.8092 4.8636 4.8636 5.3475 5.3475 5.3559 5.3559 5.6652 5.6652 7.2260 7.2260 7.2730 7.2730 7.2851 7.2851 7.8513 7.8513 7.8716 7.8716 9.3036 9.3036 9.3215 9.3215 9.8655 9.8655 10.2983 10.2983 10.3010 10.3010 k = 0.2292 0.3241 0.5613 ( 8766 PWs) bands (ev): -51.7034 -51.7034 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -0.5275 -0.5275 -0.1200 -0.1200 -0.1098 -0.1098 -0.0939 -0.0939 3.7909 3.7909 3.7924 3.7924 4.1270 4.1270 4.1368 4.1368 4.3975 4.3975 4.5025 4.5025 4.7880 4.7880 4.7998 4.7998 4.8762 4.8762 5.2166 5.2166 5.2261 5.2261 5.5768 5.5768 7.2485 7.2485 7.2852 7.2852 7.3002 7.3002 7.8700 7.8700 7.8840 7.8840 9.4008 9.4008 9.4152 9.4152 9.8114 9.8114 10.2741 10.2741 10.2781 10.2781 k = 0.2361 0.3339 0.5784 ( 8766 PWs) bands (ev): -51.7034 -51.7034 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -0.4295 -0.4295 -0.1605 -0.1605 -0.1502 -0.1502 -0.1389 -0.1389 3.8177 3.8177 3.8183 3.8183 4.1897 4.1897 4.2007 4.2007 4.4132 4.4132 4.5471 4.5471 4.7813 4.7813 4.7893 4.7893 4.9136 4.9136 5.1002 5.1002 5.1121 5.1121 5.5009 5.5009 7.2662 7.2662 7.2911 7.2911 7.3089 7.3089 7.8844 7.8844 7.8928 7.8928 9.4911 9.4911 9.5018 9.5018 9.7531 9.7531 10.2670 10.2670 10.2733 10.2733 k = 0.2431 0.3437 0.5954 ( 8790 PWs) bands (ev): -51.7035 -51.7035 -27.5866 -27.5866 -25.1149 -25.1149 -25.1149 -25.1149 -0.3290 -0.3290 -0.1981 -0.1981 -0.1879 -0.1879 -0.1809 -0.1809 3.8359 3.8359 3.8359 3.8359 4.2464 4.2464 4.2585 4.2585 4.3682 4.3682 4.6313 4.6313 4.7648 4.7648 4.7675 4.7675 4.9556 4.9556 5.0156 5.0156 5.0297 5.0297 5.4461 5.4461 7.2795 7.2795 7.2918 7.2918 7.3125 7.3125 7.8938 7.8938 7.8975 7.8975 9.5652 9.5652 9.5723 9.5723 9.6893 9.6893 10.2809 10.2809 10.2906 10.2906 k = 0.2500 0.3536 0.6124 ( 8796 PWs) bands (ev): -51.7035 -51.7035 -27.5866 -27.5866 -25.1149 -25.1149 -25.1149 -25.1149 -0.2375 -0.2375 -0.2228 -0.2228 -0.2228 -0.2228 -0.2184 -0.2184 3.8426 3.8426 3.8426 3.8426 4.2875 4.2875 4.3047 4.3047 4.3047 4.3047 4.7256 4.7256 4.7257 4.7257 4.7257 4.7257 4.9695 4.9695 4.9960 4.9960 4.9960 4.9960 5.4251 5.4251 7.2881 7.2881 7.2881 7.2881 7.3130 7.3130 7.8981 7.8981 7.8981 7.8981 9.6141 9.6141 9.6204 9.6204 9.6204 9.6204 10.3035 10.3035 10.3218 10.3218 k = 0.2500 0.3536 0.6124 ( 8796 PWs) bands (ev): -51.7035 -51.7035 -27.5866 -27.5866 -25.1149 -25.1149 -25.1149 -25.1149 -0.2375 -0.2375 -0.2228 -0.2228 -0.2228 -0.2228 -0.2184 -0.2184 3.8426 3.8426 3.8426 3.8426 4.2875 4.2875 4.3047 4.3047 4.3047 4.3047 4.7256 4.7256 4.7257 4.7257 4.7257 4.7257 4.9695 4.9695 4.9960 4.9960 4.9960 4.9960 5.4251 5.4251 7.2881 7.2881 7.2881 7.2881 7.3130 7.3130 7.8981 7.8981 7.8981 7.8981 9.6141 9.6141 9.6204 9.6204 9.6204 9.6204 10.3035 10.3035 10.3218 10.3218 k = 0.2569 0.3339 0.6124 ( 8778 PWs) bands (ev): -51.7034 -51.7034 -27.5866 -27.5866 -25.1149 -25.1149 -25.1149 -25.1149 -0.2663 -0.2663 -0.2557 -0.2557 -0.2549 -0.2549 -0.1189 -0.1189 3.8344 3.8344 3.8349 3.8349 4.2167 4.2167 4.3211 4.3211 4.3294 4.3294 4.6796 4.6796 4.6828 4.6828 4.8219 4.8219 4.9798 4.9798 5.0023 5.0023 5.0059 5.0059 5.4469 5.4469 7.2807 7.2807 7.2898 7.2898 7.3140 7.3140 7.8944 7.8944 7.8971 7.8971 9.5384 9.5384 9.6440 9.6440 9.6466 9.6466 10.2556 10.2556 10.3197 10.3197 k = 0.2639 0.3143 0.6124 ( 8766 PWs) bands (ev): -51.7034 -51.7034 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -0.2959 -0.2959 -0.2883 -0.2883 -0.2843 -0.2843 -0.0106 -0.0106 3.8071 3.8071 3.8088 3.8088 4.1261 4.1261 4.3196 4.3196 4.3230 4.3230 4.6591 4.6591 4.6689 4.6689 4.9028 4.9028 4.9895 4.9895 5.0320 5.0320 5.0427 5.0427 5.5054 5.5054 7.2702 7.2702 7.2834 7.2834 7.3177 7.3177 7.8869 7.8869 7.8912 7.8912 9.4486 9.4486 9.6543 9.6543 9.6568 9.6568 10.1914 10.1914 10.2948 10.2948 k = 0.2708 0.2946 0.6124 ( 8772 PWs) bands (ev): -51.7034 -51.7034 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -0.3231 -0.3231 -0.3176 -0.3176 -0.3109 -0.3109 0.1004 0.1004 3.7578 3.7578 3.7607 3.7607 4.0279 4.0279 4.2934 4.2934 4.2947 4.2947 4.6738 4.6738 4.6895 4.6895 4.9064 4.9064 5.0583 5.0583 5.0882 5.0882 5.0968 5.0968 5.5868 5.5868 7.2568 7.2568 7.2713 7.2713 7.3231 7.3231 7.8758 7.8758 7.8809 7.8809 9.3486 9.3486 9.6547 9.6547 9.6580 9.6580 10.1291 10.1291 10.2537 10.2537 k = 0.2778 0.2750 0.6124 ( 8772 PWs) bands (ev): -51.7034 -51.7034 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -0.3482 -0.3482 -0.3432 -0.3432 -0.3347 -0.3347 0.2139 0.2139 3.6859 3.6859 3.6899 3.6899 3.9233 3.9233 4.2592 4.2592 4.2632 4.2632 4.7121 4.7121 4.7316 4.7316 4.8743 4.8743 5.1573 5.1573 5.1619 5.1619 5.1632 5.1632 5.6808 5.6808 7.2407 7.2407 7.2552 7.2552 7.3295 7.3295 7.8619 7.8619 7.8669 7.8669 9.2390 9.2390 9.6508 9.6508 9.6556 9.6556 10.0727 10.0727 10.2076 10.2076 k = 0.2847 0.2553 0.6124 ( 8778 PWs) bands (ev): -51.7034 -51.7034 -27.5866 -27.5866 -25.1149 -25.1149 -25.1149 -25.1149 -0.3711 -0.3711 -0.3651 -0.3651 -0.3557 -0.3557 0.3299 0.3299 3.5947 3.5947 3.5995 3.5995 3.8137 3.8137 4.2307 4.2307 4.2358 4.2358 4.7623 4.7623 4.7845 4.7845 4.8395 4.8395 5.2357 5.2357 5.2389 5.2389 5.2724 5.2724 5.7815 5.7815 7.2221 7.2221 7.2356 7.2356 7.3371 7.3371 7.8459 7.8459 7.8499 7.8499 9.1216 9.1216 9.6462 9.6462 9.6530 9.6530 10.0238 10.0238 10.1611 10.1611 k = 0.2917 0.2357 0.6124 ( 8778 PWs) bands (ev): -51.7034 -51.7034 -27.5866 -27.5866 -25.1149 -25.1149 -25.1149 -25.1149 -0.3913 -0.3913 -0.3838 -0.3838 -0.3740 -0.3740 0.4484 0.4484 3.4895 3.4895 3.4947 3.4947 3.6999 3.6999 4.2097 4.2097 4.2151 4.2151 4.8007 4.8007 4.8256 4.8256 4.8430 4.8430 5.3211 5.3211 5.3220 5.3220 5.3868 5.3868 5.8854 5.8854 7.2009 7.2009 7.2128 7.2128 7.3465 7.3465 7.8286 7.8286 7.8310 7.8310 8.9983 8.9983 9.6429 9.6429 9.6518 9.6518 9.9825 9.9825 10.1162 10.1162 k = 0.2986 0.2161 0.6124 ( 8769 PWs) bands (ev): -51.7034 -51.7034 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -0.4086 -0.4086 -0.3995 -0.3995 -0.3894 -0.3894 0.5692 0.5692 3.3751 3.3751 3.3804 3.3804 3.5831 3.5831 4.1949 4.1949 4.2001 4.2001 4.7751 4.7751 4.8833 4.8833 4.9048 4.9048 5.4106 5.4106 5.4118 5.4118 5.5041 5.5041 5.9902 5.9902 7.1772 7.1772 7.1871 7.1871 7.3587 7.3587 7.8109 7.8109 7.8113 7.8113 8.8710 8.8710 9.6417 9.6417 9.6529 9.6529 9.9480 9.9480 10.0743 10.0743 k = 0.3056 0.1964 0.6124 ( 8769 PWs) bands (ev): -51.7034 -51.7034 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -0.4229 -0.4229 -0.4123 -0.4123 -0.4021 -0.4021 0.6923 0.6923 3.2551 3.2551 3.2605 3.2605 3.4639 3.4639 4.1846 4.1846 4.1894 4.1894 4.7507 4.7507 4.9466 4.9466 4.9684 4.9684 5.5037 5.5037 5.5067 5.5067 5.6241 5.6241 6.0937 6.0937 7.1510 7.1510 7.1584 7.1584 7.3746 7.3746 7.7918 7.7918 7.7939 7.7939 8.7415 8.7415 9.6430 9.6430 9.6562 9.6562 9.9195 9.9195 10.0366 10.0366 k = 0.3125 0.1768 0.6124 ( 8769 PWs) bands (ev): -51.7034 -51.7034 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -0.4341 -0.4341 -0.4223 -0.4223 -0.4119 -0.4119 0.8177 0.8177 3.1320 3.1320 3.1375 3.1375 3.3431 3.3431 4.1776 4.1776 4.1820 4.1820 4.7304 4.7304 5.0114 5.0114 5.0332 5.0332 5.5999 5.5999 5.6047 5.6047 5.7465 5.7465 6.1939 6.1939 7.1225 7.1225 7.1271 7.1271 7.3953 7.3953 7.7737 7.7737 7.7786 7.7786 8.6115 8.6115 9.6461 9.6461 9.6612 9.6612 9.8962 9.8962 10.0042 10.0042 k = 0.3194 0.1571 0.6124 ( 8769 PWs) bands (ev): -51.7034 -51.7034 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -0.4422 -0.4422 -0.4294 -0.4294 -0.4190 -0.4190 0.9454 0.9454 3.0076 3.0076 3.0130 3.0130 3.2213 3.2213 4.1733 4.1733 4.1772 4.1772 4.7145 4.7145 5.0769 5.0769 5.0983 5.0983 5.6984 5.6984 5.7049 5.7049 5.8712 5.8712 6.2888 6.2888 7.0918 7.0918 7.0935 7.0935 7.4223 7.4223 7.7583 7.7583 7.7659 7.7659 8.4823 8.4823 9.6501 9.6501 9.6667 9.6667 9.8773 9.8773 9.9784 9.9784 k = 0.3264 0.1375 0.6124 ( 8769 PWs) bands (ev): -51.7034 -51.7034 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -0.4472 -0.4472 -0.4338 -0.4338 -0.4233 -0.4233 1.0752 1.0752 2.8828 2.8828 2.8883 2.8883 3.0991 3.0991 4.1711 4.1711 4.1746 4.1746 4.7028 4.7028 5.1423 5.1423 5.1632 5.1632 5.7980 5.7980 5.8062 5.8062 5.9980 5.9980 6.3759 6.3759 7.0583 7.0583 7.0596 7.0596 7.4570 7.4570 7.7464 7.7464 7.7567 7.7567 8.3552 8.3552 9.6538 9.6538 9.6714 9.6714 9.8625 9.8625 9.9605 9.9605 k = 0.3333 0.1179 0.6124 ( 8799 PWs) bands (ev): -51.7035 -51.7035 -27.5866 -27.5866 -25.1150 -25.1150 -25.1149 -25.1149 -0.4491 -0.4491 -0.4353 -0.4353 -0.4248 -0.4248 1.2071 1.2071 2.7585 2.7585 2.7640 2.7640 2.9768 2.9768 4.1707 4.1707 4.1740 4.1740 4.6953 4.6953 5.2070 5.2070 5.2273 5.2273 5.8977 5.8977 5.9076 5.9076 6.1266 6.1266 6.4531 6.4531 7.0223 7.0223 7.0265 7.0265 7.5006 7.5006 7.7391 7.7391 7.7518 7.7518 8.2313 8.2313 9.6558 9.6558 9.6740 9.6740 9.8510 9.8510 9.9519 9.9519 k = 0.3403 0.0982 0.6124 ( 8769 PWs) bands (ev): -51.7034 -51.7034 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -0.4479 -0.4479 -0.4341 -0.4341 -0.4235 -0.4235 1.3410 1.3410 2.6352 2.6352 2.6407 2.6407 2.8549 2.8549 4.1722 4.1722 4.1752 4.1752 4.6917 4.6917 5.2701 5.2701 5.2898 5.2898 5.9962 5.9962 6.0078 6.0078 6.2566 6.2566 6.5181 6.5181 6.9867 6.9867 6.9937 6.9937 7.5540 7.5540 7.7373 7.7373 7.7522 7.7522 8.1121 8.1121 9.6554 9.6554 9.6738 9.6738 9.8425 9.8425 9.9530 9.9530 k = 0.3472 0.0786 0.6124 ( 8778 PWs) bands (ev): -51.7034 -51.7034 -27.5866 -27.5866 -25.1149 -25.1149 -25.1149 -25.1149 -0.4436 -0.4436 -0.4300 -0.4300 -0.4195 -0.4195 1.4768 1.4768 2.5133 2.5133 2.5188 2.5188 2.7337 2.7337 4.1753 4.1753 4.1782 4.1782 4.6919 4.6919 5.3310 5.3310 5.3501 5.3501 6.0919 6.0919 6.1052 6.1052 6.3867 6.3867 6.5702 6.5702 6.9532 6.9532 6.9627 6.9627 7.6168 7.6168 7.7417 7.7417 7.7586 7.7586 7.9992 7.9992 9.6527 9.6527 9.6709 9.6709 9.8365 9.8365 9.9637 9.9637 k = 0.3542 0.0589 0.6124 ( 8773 PWs) bands (ev): -51.7034 -51.7034 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -0.4362 -0.4362 -0.4231 -0.4231 -0.4126 -0.4126 1.6145 1.6145 2.3930 2.3930 2.3986 2.3986 2.6135 2.6135 4.1799 4.1799 4.1828 4.1828 4.6960 4.6960 5.3889 5.3889 5.4074 5.4074 6.1826 6.1826 6.1975 6.1975 6.5112 6.5112 6.6133 6.6133 6.9242 6.9242 6.9357 6.9357 7.6863 7.6863 7.7533 7.7533 7.7722 7.7722 7.8960 7.8960 9.6485 9.6485 9.6665 9.6665 9.8321 9.8321 9.9826 9.9826 k = 0.3611 0.0393 0.6124 ( 8761 PWs) bands (ev): -51.7034 -51.7034 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -0.4257 -0.4257 -0.4134 -0.4134 -0.4030 -0.4030 1.7537 1.7537 2.2746 2.2746 2.2802 2.2802 2.4946 2.4946 4.1861 4.1861 4.1890 4.1890 4.7036 4.7036 5.4429 5.4429 5.4607 5.4607 6.2655 6.2655 6.2816 6.2816 6.5906 6.5906 6.6857 6.6857 6.9027 6.9027 6.9155 6.9155 7.7435 7.7435 7.7728 7.7728 7.7876 7.7876 7.8275 7.8275 9.6442 9.6442 9.6618 9.6618 9.8284 9.8284 10.0083 10.0083 k = 0.3681 0.0196 0.6124 ( 8755 PWs) bands (ev): -51.7033 -51.7033 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -0.4122 -0.4122 -0.4009 -0.4009 -0.3906 -0.3906 1.8942 1.8942 2.1583 2.1583 2.1639 2.1639 2.3774 2.3774 4.1937 4.1937 4.1967 4.1967 4.7147 4.7147 5.4919 5.4919 5.5092 5.5092 6.3373 6.3373 6.3534 6.3534 6.6035 6.6035 6.8079 6.8079 6.8928 6.8928 6.9056 6.9056 7.6960 7.6960 7.8012 7.8012 7.8122 7.8122 7.8789 7.8789 9.6410 9.6410 9.6583 9.6583 9.8240 9.8240 10.0390 10.0390 k = 0.3750-0.0000 0.6124 ( 8755 PWs) bands (ev): -51.7033 -51.7033 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -0.3958 -0.3958 -0.3856 -0.3856 -0.3755 -0.3755 2.0342 2.0342 2.0446 2.0446 2.0497 2.0497 2.2636 2.2636 4.2028 4.2028 4.2060 4.2060 4.7292 4.7292 5.5351 5.5351 5.5518 5.5518 6.3942 6.3942 6.4085 6.4085 6.5901 6.5901 6.8983 6.8983 6.9096 6.9096 6.9390 6.9390 7.6264 7.6264 7.8394 7.8394 7.8517 7.8517 7.9615 7.9615 9.6401 9.6401 9.6568 9.6568 9.8172 9.8172 10.0730 10.0730 k = 0.3819-0.0196 0.6124 ( 8755 PWs) bands (ev): -51.7033 -51.7033 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -0.3764 -0.3764 -0.3674 -0.3674 -0.3576 -0.3576 1.9321 1.9321 1.9378 1.9378 2.1266 2.1266 2.2013 2.2013 4.2132 4.2132 4.2167 4.2167 4.7470 4.7470 5.5713 5.5713 5.5877 5.5877 6.4343 6.4343 6.4443 6.4443 6.5588 6.5588 6.9224 6.9224 6.9295 6.9295 7.0683 7.0683 7.5693 7.5693 7.8880 7.8880 7.9000 7.9000 8.0463 8.0463 9.6422 9.6422 9.6583 9.6583 9.8057 9.8057 10.1087 10.1087 k = 0.3889-0.0393 0.6124 ( 8752 PWs) bands (ev): -51.7033 -51.7033 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -0.3543 -0.3543 -0.3463 -0.3463 -0.3369 -0.3369 1.8226 1.8226 1.8283 1.8283 2.0285 2.0285 2.3323 2.3323 4.2249 4.2249 4.2287 4.2287 4.7679 4.7679 5.5998 5.5998 5.6159 5.6159 6.4591 6.4591 6.4603 6.4603 6.5146 6.5146 6.9624 6.9624 6.9641 6.9641 7.1900 7.1900 7.5303 7.5303 7.9478 7.9478 7.9586 7.9586 8.1265 8.1265 9.6479 9.6479 9.6633 9.6633 9.7886 9.7886 10.1430 10.1430 k = 0.3958-0.0589 0.6124 ( 8749 PWs) bands (ev): -51.7033 -51.7033 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -0.3295 -0.3295 -0.3221 -0.3221 -0.3136 -0.3136 1.7156 1.7156 1.7213 1.7213 1.9194 1.9194 2.4773 2.4773 4.2378 4.2378 4.2420 4.2420 4.7918 4.7918 5.6199 5.6199 5.6358 5.6358 6.4356 6.4356 6.4727 6.4727 6.4862 6.4862 7.0092 7.0092 7.0129 7.0129 7.2905 7.2905 7.5192 7.5192 8.0190 8.0190 8.0284 8.0284 8.1985 8.1985 9.6576 9.6576 9.6723 9.6723 9.7678 9.7678 10.1611 10.1611 k = 0.4028-0.0786 0.6124 ( 8755 PWs) bands (ev): -51.7033 -51.7033 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -0.3024 -0.3024 -0.2948 -0.2948 -0.2876 -0.2876 1.6110 1.6110 1.6167 1.6167 1.8116 1.8116 2.6242 2.6242 4.2517 4.2517 4.2564 4.2564 4.8184 4.8184 5.6313 5.6313 5.6473 5.6473 6.3670 6.3670 6.4802 6.4802 6.4849 6.4849 7.0597 7.0597 7.0684 7.0684 7.3448 7.3448 7.5552 7.5552 8.1016 8.1016 8.1093 8.1093 8.2606 8.2606 9.6716 9.6716 9.6856 9.6856 9.7500 9.7500 10.1551 10.1551 k = 0.4097-0.0982 0.6124 ( 8761 PWs) bands (ev): -51.7034 -51.7034 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -0.2729 -0.2729 -0.2642 -0.2642 -0.2588 -0.2588 1.5091 1.5091 1.5148 1.5148 1.7059 1.7059 2.7720 2.7720 4.2666 4.2666 4.2719 4.2719 4.8474 4.8474 5.6343 5.6343 5.6506 5.6506 6.2852 6.2852 6.4851 6.4851 6.4862 6.4862 7.1122 7.1122 7.1247 7.1247 7.3559 7.3559 7.6263 7.6263 8.1950 8.1950 8.2011 8.2011 8.3158 8.3158 9.6900 9.6900 9.7035 9.7036 9.7433 9.7433 10.1587 10.1587 k = 0.4167-0.1179 0.6124 ( 8749 PWs) bands (ev): -51.7033 -51.7033 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -0.2412 -0.2412 -0.2305 -0.2305 -0.2275 -0.2275 1.4099 1.4099 1.4156 1.4156 1.6025 1.6025 2.9204 2.9204 4.2822 4.2822 4.2882 4.2882 4.8785 4.8785 5.6295 5.6295 5.6463 5.6463 6.1962 6.1962 6.4888 6.4888 6.4897 6.4897 7.1641 7.1641 7.1796 7.1796 7.3514 7.3514 7.6929 7.6929 8.2984 8.2984 8.3028 8.3028 8.3728 8.3728 9.7130 9.7130 9.7261 9.7261 9.7522 9.7522 10.1753 10.1753 k = 0.4236-0.1375 0.6124 ( 8779 PWs) bands (ev): -51.7034 -51.7034 -27.5866 -27.5866 -25.1149 -25.1149 -25.1149 -25.1149 -0.2071 -0.2071 -0.1940 -0.1940 -0.1936 -0.1936 1.3135 1.3135 1.3191 1.3191 1.5018 1.5018 3.0689 3.0689 4.2985 4.2985 4.3051 4.3051 4.9112 4.9112 5.6180 5.6180 5.6357 5.6357 6.1023 6.1023 6.4929 6.4929 6.4949 6.4949 7.2143 7.2143 7.2319 7.2319 7.3424 7.3424 7.7320 7.7320 8.4106 8.4106 8.4132 8.4132 8.4439 8.4439 9.7408 9.7408 9.7532 9.7532 9.7760 9.7760 10.2029 10.2029 k = 0.4306-0.1571 0.6124 ( 8761 PWs) bands (ev): -51.7034 -51.7034 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -0.1706 -0.1706 -0.1571 -0.1571 -0.1549 -0.1549 1.2199 1.2199 1.2255 1.2255 1.4040 1.4040 3.2172 3.2172 4.3150 4.3150 4.3224 4.3224 4.9447 4.9447 5.6013 5.6013 5.6200 5.6200 6.0056 6.0056 6.4983 6.4983 6.5008 6.5008 7.2619 7.2619 7.2806 7.2806 7.3309 7.3309 7.7371 7.7371 8.5287 8.5287 8.5304 8.5304 8.5398 8.5398 9.7731 9.7731 9.7848 9.7848 9.8095 9.8095 10.2392 10.2392 k = 0.4375-0.1768 0.6124 ( 8767 PWs) bands (ev): -51.7034 -51.7034 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -0.1318 -0.1318 -0.1183 -0.1183 -0.1134 -0.1134 1.1294 1.1294 1.1348 1.1348 1.3092 1.3092 3.3649 3.3649 4.3316 4.3316 4.3399 4.3399 4.9779 4.9779 5.5809 5.5809 5.6007 5.6007 5.9078 5.9078 6.5046 6.5046 6.5072 6.5072 7.3066 7.3066 7.3113 7.3113 7.3299 7.3299 7.7143 7.7143 8.6470 8.6470 8.6566 8.6566 8.6609 8.6609 9.8094 9.8094 9.8202 9.8202 9.8458 9.8458 10.2771 10.2771 k = 0.4444-0.1964 0.6124 ( 8749 PWs) bands (ev): -51.7033 -51.7033 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -0.0908 -0.0908 -0.0771 -0.0771 -0.0697 -0.0697 1.0420 1.0420 1.0472 1.0472 1.2178 1.2178 3.5116 3.5116 4.3481 4.3481 4.3572 4.3572 5.0092 5.0092 5.5580 5.5580 5.5792 5.5792 5.8108 5.8108 6.5114 6.5114 6.5137 6.5137 7.2909 7.2909 7.3480 7.3480 7.3697 7.3697 7.6762 7.6762 8.7775 8.7775 8.7879 8.7879 8.7913 8.7913 9.8483 9.8483 9.8585 9.8585 9.8784 9.8784 10.2970 10.2970 k = 0.4514-0.2161 0.6124 ( 8755 PWs) bands (ev): -51.7033 -51.7033 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -0.0479 -0.0479 -0.0338 -0.0338 -0.0243 -0.0243 0.9580 0.9580 0.9630 0.9630 1.1303 1.1303 3.6565 3.6565 4.3639 4.3639 4.3740 4.3740 5.0360 5.0360 5.5341 5.5341 5.5568 5.5568 5.7171 5.7171 6.5181 6.5181 6.5201 6.5201 7.2595 7.2595 7.3858 7.3858 7.4074 7.4074 7.6349 7.6349 8.9176 8.9176 8.9231 8.9231 8.9267 8.9267 9.8884 9.8884 9.8982 9.8982 9.9028 9.9028 10.2990 10.2991 k = 0.4583-0.2357 0.6124 ( 8755 PWs) bands (ev): -51.7033 -51.7033 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -0.0033 -0.0033 0.0112 0.0112 0.0224 0.0224 0.8777 0.8777 0.8824 0.8824 1.0472 1.0472 3.7989 3.7989 4.3789 4.3789 4.3899 4.3899 5.0541 5.0541 5.5101 5.5101 5.5347 5.5347 5.6307 5.6307 6.5244 6.5244 6.5260 6.5260 7.2179 7.2179 7.4196 7.4196 7.4408 7.4408 7.5992 7.5992 9.0604 9.0604 9.0610 9.0610 9.0686 9.0686 9.9169 9.9169 9.9278 9.9278 9.9369 9.9369 10.2945 10.2945 k = 0.4653-0.2553 0.6124 ( 8779 PWs) bands (ev): -51.7034 -51.7034 -27.5866 -27.5866 -25.1149 -25.1149 -25.1149 -25.1149 0.0422 0.0422 0.0575 0.0575 0.0694 0.0694 0.8017 0.8017 0.8060 0.8060 0.9695 0.9695 3.9379 3.9379 4.3925 4.3925 4.4044 4.4044 5.0572 5.0572 5.4864 5.4864 5.5140 5.5140 5.5581 5.5581 6.5300 6.5300 6.5312 6.5312 7.1688 7.1688 7.4490 7.4490 7.4695 7.4695 7.5730 7.5730 9.2001 9.2001 9.2008 9.2008 9.2172 9.2172 9.9229 9.9229 9.9621 9.9621 9.9713 9.9713 10.2850 10.2852 k = 0.4722-0.2750 0.6124 ( 8773 PWs) bands (ev): -51.7034 -51.7034 -27.5866 -27.5866 -25.1149 -25.1149 -25.1149 -25.1149 0.0878 0.0878 0.1042 0.1042 0.1156 0.1156 0.7310 0.7310 0.7347 0.7347 0.8983 0.8983 4.0718 4.0718 4.4044 4.4044 4.4172 4.4172 5.0385 5.0385 5.4628 5.4628 5.4957 5.4957 5.5072 5.5072 6.5348 6.5348 6.5356 6.5356 7.1172 7.1172 7.4737 7.4737 7.4926 7.4926 7.5562 7.5562 9.3392 9.3392 9.3402 9.3402 9.3665 9.3665 9.9226 9.9226 9.9881 9.9881 9.9970 9.9970 10.2661 10.2661 k = 0.4792-0.2946 0.6124 ( 8764 PWs) bands (ev): -51.7034 -51.7034 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 0.1316 0.1316 0.1497 0.1497 0.1590 0.1590 0.6672 0.6672 0.6700 0.6700 0.8360 0.8360 4.1980 4.1980 4.4142 4.4142 4.4278 4.4278 4.9951 4.9951 5.4415 5.4415 5.4796 5.4796 5.4806 5.4806 6.5386 6.5386 6.5390 6.5390 7.0694 7.0694 7.4933 7.4933 7.5088 7.5088 7.5480 7.5480 9.4763 9.4763 9.4776 9.4776 9.5119 9.5119 9.9188 9.9188 10.0012 10.0012 10.0085 10.0085 10.2307 10.2308 k = 0.4861-0.3143 0.6124 ( 8734 PWs) bands (ev): -51.7033 -51.7033 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 0.1702 0.1702 0.1908 0.1908 0.1964 0.1964 0.6136 0.6136 0.6153 0.6153 0.7858 0.7858 4.3108 4.3108 4.4215 4.4215 4.4360 4.4360 4.9347 4.9347 5.4278 5.4278 5.4665 5.4665 5.4692 5.4692 6.5413 6.5413 6.5415 6.5415 7.0310 7.0310 7.5075 7.5075 7.5167 7.5167 7.5473 7.5473 9.6087 9.6087 9.6105 9.6105 9.6470 9.6470 9.9131 9.9131 9.9935 9.9935 9.9971 9.9971 10.1815 10.1815 k = 0.4931-0.3339 0.6124 ( 8752 PWs) bands (ev): -51.7033 -51.7033 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 0.1979 0.1979 0.2216 0.2216 0.2233 0.2233 0.5757 0.5757 0.5763 0.5763 0.7523 0.7523 4.3967 4.3967 4.4260 4.4260 4.4424 4.4424 4.8757 4.8757 5.4210 5.4210 5.4612 5.4612 5.4622 5.4622 6.5430 6.5430 6.5430 6.5430 7.0061 7.0061 7.5161 7.5161 7.5188 7.5188 7.5503 7.5503 9.7311 9.7311 9.7335 9.7335 9.7590 9.7590 9.9055 9.9055 9.9514 9.9514 9.9517 9.9517 10.1387 10.1387 k = 0.5000-0.3536 0.6124 ( 8776 PWs) bands (ev): -51.7034 -51.7034 -27.5866 -27.5866 -25.1149 -25.1149 -25.1149 -25.1149 0.2082 0.2082 0.2334 0.2334 0.2335 0.2335 0.5616 0.5616 0.5616 0.5616 0.7404 0.7404 4.4275 4.4275 4.4275 4.4275 4.4490 4.4490 4.8489 4.8489 5.4189 5.4189 5.4598 5.4598 5.4598 5.4598 6.5435 6.5435 6.5435 6.5435 6.9975 6.9975 7.5190 7.5190 7.5190 7.5190 7.5518 7.5518 9.8091 9.8091 9.8092 9.8092 9.8154 9.8154 9.8980 9.8980 9.8980 9.8980 9.8985 9.8985 10.1205 10.1205 k = 0.2500 0.3536 0.6124 ( 8796 PWs) bands (ev): -51.7035 -51.7035 -27.5866 -27.5866 -25.1149 -25.1149 -25.1149 -25.1149 -0.2375 -0.2375 -0.2228 -0.2228 -0.2228 -0.2228 -0.2184 -0.2184 3.8426 3.8426 3.8426 3.8426 4.2875 4.2875 4.3047 4.3047 4.3047 4.3047 4.7256 4.7256 4.7257 4.7257 4.7257 4.7257 4.9695 4.9695 4.9960 4.9960 4.9960 4.9960 5.4251 5.4251 7.2881 7.2881 7.2881 7.2881 7.3130 7.3130 7.8981 7.8981 7.8981 7.8981 9.6141 9.6141 9.6204 9.6204 9.6204 9.6204 10.3035 10.3035 10.3218 10.3218 k = 0.2381 0.3367 0.6124 ( 8784 PWs) bands (ev): -51.7034 -51.7034 -27.5866 -27.5866 -25.1149 -25.1149 -25.1149 -25.1149 -0.2877 -0.2877 -0.2805 -0.2805 -0.1696 -0.1696 -0.1583 -0.1583 3.8308 3.8308 3.8402 3.8402 4.2217 4.2217 4.2951 4.2951 4.3545 4.3545 4.6446 4.6446 4.7298 4.7298 4.7953 4.7953 4.9783 4.9783 4.9988 4.9988 5.0199 5.0199 5.4463 5.4463 7.2803 7.2803 7.2906 7.2906 7.3133 7.3133 7.8914 7.8914 7.9002 7.9002 9.5452 9.5452 9.6104 9.6104 9.6722 9.6722 10.2722 10.2722 10.2837 10.2837 k = 0.2262 0.3199 0.6124 ( 8772 PWs) bands (ev): -51.7034 -51.7034 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -0.3435 -0.3435 -0.3357 -0.3357 -0.1080 -0.1080 -0.0924 -0.0924 3.7962 3.7962 3.8333 3.8333 4.1231 4.1231 4.2826 4.2826 4.3908 4.3908 4.5787 4.5787 4.7423 4.7423 4.8166 4.8166 4.9830 4.9830 5.0431 5.0431 5.0900 5.0900 5.5042 5.5042 7.2693 7.2693 7.2857 7.2857 7.3146 7.3146 7.8723 7.8723 7.9055 7.9055 9.4593 9.4593 9.5873 9.5873 9.7018 9.7018 10.1934 10.1934 10.2748 10.2748 k = 0.2143 0.3030 0.6124 ( 8768 PWs) bands (ev): -51.7034 -51.7034 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -0.3975 -0.3975 -0.3873 -0.3873 -0.0438 -0.0438 -0.0236 -0.0236 3.7414 3.7414 3.8222 3.8222 4.0059 4.0059 4.2614 4.2614 4.4103 4.4103 4.5339 4.5339 4.7630 4.7630 4.8090 4.8090 4.9908 4.9908 5.0907 5.0907 5.2146 5.2146 5.5878 5.5878 7.2556 7.2556 7.2740 7.2740 7.3161 7.3161 7.8414 7.8414 7.9136 7.9136 9.3647 9.3647 9.5510 9.5510 9.7067 9.7067 10.1051 10.1051 10.2968 10.2968 k = 0.2024 0.2862 0.6124 ( 8772 PWs) bands (ev): -51.7034 -51.7034 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -0.4492 -0.4492 -0.4358 -0.4358 0.0230 0.0230 0.0480 0.0480 3.6695 3.6695 3.8076 3.8076 3.8770 3.8770 4.2323 4.2323 4.4110 4.4110 4.5100 4.5100 4.7908 4.7908 4.7985 4.7985 5.0115 5.0115 5.1403 5.1403 5.3598 5.3598 5.6875 5.6875 7.2397 7.2397 7.2570 7.2570 7.3165 7.3165 7.7998 7.7998 7.9239 7.9239 9.2650 9.2650 9.5039 9.5039 9.6926 9.6926 10.0211 10.0211 10.3415 10.3415 k = 0.1905 0.2694 0.6124 ( 8772 PWs) bands (ev): -51.7034 -51.7034 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -0.4982 -0.4982 -0.4814 -0.4814 0.0923 0.0923 0.1223 0.1223 3.5836 3.5836 3.7413 3.7413 3.7909 3.7909 4.1977 4.1977 4.3964 4.3964 4.5000 4.5000 4.7896 4.7896 4.8293 4.8293 5.0456 5.0456 5.1925 5.1925 5.5137 5.5137 5.7969 5.7969 7.2209 7.2209 7.2366 7.2366 7.3153 7.3153 7.7489 7.7489 7.9354 7.9354 9.1624 9.1624 9.4484 9.4484 9.6677 9.6677 9.9460 9.9460 10.3993 10.3993 k = 0.1786 0.2525 0.6124 ( 8760 PWs) bands (ev): -51.7034 -51.7034 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -0.5443 -0.5443 -0.5243 -0.5243 0.1642 0.1642 0.1993 0.1993 3.4866 3.4866 3.6030 3.6030 3.7719 3.7719 4.1603 4.1603 4.3757 4.3757 4.4927 4.4927 4.7897 4.7897 4.8732 4.8732 5.0911 5.0911 5.2469 5.2469 5.6717 5.6717 5.9113 5.9113 7.1973 7.1973 7.2157 7.2157 7.3123 7.3123 7.6906 7.6906 7.9472 7.9472 9.0591 9.0591 9.3870 9.3870 9.6380 9.6380 9.8817 9.8817 10.4601 10.4601 k = 0.1667 0.2357 0.6124 ( 8768 PWs) bands (ev): -51.7034 -51.7034 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -0.5876 -0.5876 -0.5643 -0.5643 0.2385 0.2385 0.2789 0.2789 3.3810 3.3810 3.4637 3.4637 3.7519 3.7519 4.1221 4.1221 4.3543 4.3543 4.4825 4.4825 4.7971 4.7971 4.9235 4.9235 5.1460 5.1460 5.3032 5.3032 5.8313 5.8313 6.0274 6.0274 7.1669 7.1669 7.1972 7.1972 7.3076 7.3076 7.6268 7.6268 7.9583 7.9583 8.9565 8.9565 9.3228 9.3228 9.6074 9.6074 9.8282 9.8282 10.5125 10.5125 k = 0.1548 0.2189 0.6124 ( 8758 PWs) bands (ev): -51.7034 -51.7034 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -0.6279 -0.6279 -0.6017 -0.6017 0.3153 0.3153 0.3611 0.3611 3.2690 3.2690 3.3247 3.3247 3.7315 3.7315 4.0848 4.0848 4.3337 4.3337 4.4689 4.4689 4.8104 4.8104 4.9793 4.9793 5.2081 5.2081 5.3609 5.3609 5.9902 5.9902 6.1423 6.1423 7.1303 7.1303 7.1816 7.1816 7.3011 7.3011 7.5598 7.5598 7.9682 7.9682 8.8560 8.8560 9.2590 9.2590 9.5780 9.5780 9.7845 9.7845 10.5429 10.5429 k = 0.1429 0.2020 0.6124 ( 8748 PWs) bands (ev): -51.7033 -51.7033 -27.5865 -27.5865 -25.1149 -25.1149 -25.1148 -25.1148 -0.6653 -0.6653 -0.6362 -0.6362 0.3944 0.3944 0.4458 0.4458 3.1522 3.1522 3.1870 3.1870 3.7112 3.7112 4.0491 4.0491 4.3146 4.3146 4.4528 4.4528 4.8281 4.8281 5.0398 5.0398 5.2760 5.2760 5.4197 5.4197 6.1455 6.1455 6.2531 6.2531 7.0876 7.0876 7.1702 7.1702 7.2933 7.2933 7.4919 7.4919 7.9766 7.9766 8.7586 8.7586 9.1985 9.1985 9.5506 9.5506 9.7489 9.7489 10.5413 10.5413 k = 0.1310 0.1852 0.6124 ( 8742 PWs) bands (ev): -51.7033 -51.7033 -27.5865 -27.5865 -25.1149 -25.1149 -25.1148 -25.1148 -0.6998 -0.6998 -0.6680 -0.6680 0.4758 0.4758 0.5329 0.5329 3.0316 3.0316 3.0518 3.0518 3.6915 3.6915 4.0157 4.0157 4.2970 4.2970 4.4354 4.4354 4.8484 4.8484 5.1044 5.1044 5.3486 5.3486 5.4791 5.4791 6.2934 6.2934 6.3570 6.3570 7.0385 7.0385 7.1655 7.1655 7.2848 7.2848 7.4257 7.4257 7.9838 7.9838 8.6655 8.6655 9.1438 9.1438 9.5257 9.5257 9.7201 9.7201 10.5064 10.5064 k = 0.1190 0.1684 0.6124 ( 8750 PWs) bands (ev): -51.7033 -51.7033 -27.5865 -27.5865 -25.1149 -25.1149 -25.1148 -25.1148 -0.7313 -0.7313 -0.6971 -0.6971 0.5593 0.5593 0.6224 0.6224 2.9069 2.9069 2.9209 2.9209 3.6726 3.6726 3.9849 3.9849 4.2810 4.2810 4.4179 4.4179 4.8701 4.8701 5.1725 5.1725 5.4248 5.4248 5.5387 5.5387 6.4276 6.4276 6.4504 6.4504 6.9828 6.9828 7.1706 7.1706 7.2779 7.2779 7.3642 7.3642 7.9905 7.9905 8.5776 8.5776 9.0963 9.0963 9.5032 9.5032 9.6965 9.6965 10.4425 10.4425 k = 0.1071 0.1515 0.6124 ( 8742 PWs) bands (ev): -51.7033 -51.7033 -27.5865 -27.5865 -25.1149 -25.1149 -25.1148 -25.1148 -0.7599 -0.7599 -0.7234 -0.7234 0.6447 0.6447 0.7141 0.7141 2.7787 2.7787 2.7950 2.7950 3.6550 3.6550 3.9568 3.9568 4.2665 4.2665 4.4008 4.4008 4.8923 4.8923 5.2438 5.2438 5.5038 5.5038 5.5979 5.5979 6.5290 6.5290 6.5403 6.5403 6.9210 6.9210 7.1843 7.1843 7.2776 7.2776 7.3138 7.3138 7.9981 7.9981 8.4957 8.4957 9.0567 9.0567 9.4830 9.4830 9.6771 9.6771 10.3547 10.3547 k = 0.0952 0.1347 0.6124 ( 8752 PWs) bands (ev): -51.7033 -51.7033 -27.5865 -27.5865 -25.1149 -25.1149 -25.1148 -25.1148 -0.7854 -0.7854 -0.7469 -0.7469 0.7319 0.7319 0.8079 0.8079 2.6509 2.6509 2.6716 2.6716 3.6387 3.6387 3.9315 3.9315 4.2535 4.2535 4.3848 4.3848 4.9141 4.9141 5.3176 5.3176 5.5850 5.5850 5.6560 5.6560 6.5878 6.5878 6.6226 6.6226 6.8554 6.8554 7.1910 7.1910 7.2548 7.2548 7.3293 7.3293 8.0083 8.0083 8.4208 8.4208 9.0248 9.0248 9.4644 9.4644 9.6611 9.6611 10.2481 10.2481 k = 0.0833 0.1179 0.6124 ( 8756 PWs) bands (ev): -51.7033 -51.7033 -27.5865 -27.5865 -25.1149 -25.1149 -25.1148 -25.1148 -0.8080 -0.8080 -0.7677 -0.7677 0.8203 0.8203 0.9036 0.9036 2.5258 2.5258 2.5495 2.5495 3.6239 3.6239 3.9091 3.9091 4.2421 4.2421 4.3701 4.3701 4.9349 4.9349 5.3934 5.3934 5.6676 5.6676 5.7123 5.7123 6.6178 6.6178 6.6729 6.6729 6.7917 6.7917 7.1810 7.1810 7.2215 7.2215 7.4121 7.4121 8.0225 8.0225 8.3536 8.3536 8.9997 8.9997 9.4466 9.4466 9.6479 9.6479 10.1280 10.1280 k = 0.0714 0.1010 0.6124 ( 8736 PWs) bands (ev): -51.7033 -51.7033 -27.5865 -27.5865 -25.1149 -25.1149 -25.1148 -25.1148 -0.8276 -0.8276 -0.7857 -0.7857 0.9094 0.9094 1.0008 1.0008 2.4045 2.4045 2.4290 2.4290 3.6109 3.6109 3.8897 3.8897 4.2322 4.2322 4.3571 4.3571 4.9542 4.9542 5.4705 5.4705 5.7504 5.7504 5.7660 5.7660 6.6070 6.6070 6.6971 6.6971 6.7415 6.7415 7.1639 7.1639 7.1976 7.1976 7.5277 7.5277 8.0412 8.0412 8.2947 8.2947 8.9803 8.9803 9.4282 9.4282 9.6369 9.6369 10.0005 10.0005 k = 0.0595 0.0842 0.6124 ( 8746 PWs) bands (ev): -51.7033 -51.7033 -27.5865 -27.5865 -25.1149 -25.1149 -25.1148 -25.1148 -0.8442 -0.8442 -0.8009 -0.8009 0.9983 0.9983 1.0989 1.0989 2.2882 2.2882 2.3108 2.3108 3.5998 3.5998 3.8732 3.8732 4.2239 4.2239 4.3458 4.3458 4.9713 4.9713 5.5481 5.5481 5.8148 5.8148 5.8334 5.8334 6.5559 6.5559 6.6980 6.6980 6.7126 6.7126 7.1480 7.1480 7.1808 7.1808 7.6599 7.6599 8.0639 8.0639 8.2448 8.2448 8.9654 8.9654 9.4064 9.4064 9.6279 9.6279 9.8727 9.8727 k = 0.0476 0.0673 0.6124 ( 8750 PWs) bands (ev): -51.7033 -51.7033 -27.5865 -27.5865 -25.1149 -25.1149 -25.1148 -25.1148 -0.8578 -0.8578 -0.8134 -0.8134 1.0853 1.0853 1.1971 1.1971 2.1783 2.1783 2.1964 2.1964 3.5905 3.5905 3.8597 3.8597 4.2170 4.2170 4.3365 4.3365 4.9861 4.9861 5.6246 5.6246 5.8589 5.8589 5.9133 5.9133 6.4865 6.4865 6.6653 6.6653 6.7072 6.7072 7.1344 7.1344 7.1702 7.1702 7.7969 7.7969 8.0883 8.0883 8.2047 8.2047 8.9539 8.9539 9.3768 9.3768 9.6205 9.6205 9.7550 9.7550 k = 0.0357 0.0505 0.6124 ( 8748 PWs) bands (ev): -51.7033 -51.7033 -27.5865 -27.5865 -25.1149 -25.1149 -25.1148 -25.1148 -0.8683 -0.8683 -0.8231 -0.8231 1.1675 1.1675 1.2932 1.2932 2.0770 2.0770 2.0887 2.0887 3.5833 3.5833 3.8492 3.8492 4.2117 4.2117 4.3291 4.3291 4.9979 4.9979 5.6977 5.6977 5.8957 5.8957 5.9882 5.9882 6.4147 6.4147 6.6223 6.6223 6.7016 6.7016 7.1220 7.1220 7.1653 7.1653 7.9280 7.9280 8.1103 8.1103 8.1760 8.1760 8.9451 8.9451 9.3335 9.3335 9.6147 9.6147 9.6606 9.6606 k = 0.0238 0.0337 0.6124 ( 8756 PWs) bands (ev): -51.7033 -51.7033 -27.5865 -27.5865 -25.1149 -25.1149 -25.1148 -25.1148 -0.8759 -0.8759 -0.8300 -0.8300 1.2394 1.2394 1.3830 1.3830 1.9838 1.9838 1.9982 1.9982 3.5781 3.5781 3.8417 3.8417 4.2079 4.2079 4.3238 4.3238 5.0066 5.0066 5.7626 5.7626 5.9238 5.9238 6.0530 6.0530 6.3501 6.3501 6.5774 6.5774 6.6955 6.6955 7.1114 7.1114 7.1638 7.1638 8.0401 8.0401 8.1230 8.1230 8.1632 8.1632 8.9387 8.9387 9.2770 9.2770 9.5978 9.5978 9.6118 9.6118 k = 0.0119 0.0168 0.6124 ( 8770 PWs) bands (ev): -51.7034 -51.7034 -27.5865 -27.5865 -25.1149 -25.1149 -25.1149 -25.1149 -0.8804 -0.8804 -0.8342 -0.8342 1.2916 1.2916 1.4553 1.4553 1.9072 1.9072 1.9372 1.9372 3.5749 3.5749 3.8371 3.8371 4.2057 4.2057 4.3207 4.3207 5.0119 5.0119 5.8108 5.8108 5.9414 5.9414 6.0989 6.0989 6.3034 6.3034 6.5409 6.5409 6.6910 6.6910 7.1044 7.1044 7.1636 7.1636 8.1045 8.1045 8.1367 8.1367 8.1663 8.1663 8.9347 8.9347 9.2254 9.2254 9.5671 9.5671 9.6087 9.6087 k = 0.0000 0.0000 0.6124 ( 8758 PWs) bands (ev): -51.7034 -51.7034 -27.5865 -27.5865 -25.1149 -25.1149 -25.1148 -25.1148 -0.8819 -0.8819 -0.8355 -0.8355 1.3113 1.3113 1.4857 1.4857 1.8751 1.8751 1.9147 1.9147 3.5739 3.5739 3.8356 3.8356 4.2049 4.2049 4.3196 4.3196 5.0137 5.0137 5.8293 5.8293 5.9474 5.9474 6.1156 6.1156 6.2863 6.2863 6.5262 6.5262 6.6894 6.6894 7.1019 7.1019 7.1637 7.1637 8.1097 8.1097 8.1564 8.1564 8.1716 8.1716 8.9334 8.9334 9.2041 9.2041 9.5579 9.5579 9.6079 9.6079 Writing output data file Al12Mo.save init_run : 0.41s CPU 0.55s WALL ( 1 calls) electrons : 325.62s CPU 328.42s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 325.62s CPU 328.41s 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 : 0.18s CPU 0.24s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.18s CPU 0.21s WALL ( 201 calls) cegterg : 289.56s CPU 291.76s WALL ( 465 calls) Called by sum_band: Called by *egterg: h_psi : 191.58s CPU 193.03s WALL ( 8254 calls) s_psi : 23.94s CPU 23.87s WALL ( 8254 calls) g_psi : 0.48s CPU 0.45s WALL ( 7588 calls) cdiaghg : 66.33s CPU 67.32s WALL ( 7789 calls) cegterg:over : 11.47s CPU 11.41s WALL ( 7588 calls) cegterg:upda : 13.18s CPU 13.19s WALL ( 7588 calls) cegterg:last : 5.49s CPU 5.47s WALL ( 1041 calls) cdiaghg:chol : 3.71s CPU 3.91s WALL ( 7789 calls) cdiaghg:inve : 2.53s CPU 2.62s WALL ( 7789 calls) cdiaghg:para : 4.26s CPU 4.25s WALL ( 15578 calls) Called by h_psi: h_psi:vloc : 140.84s CPU 142.01s WALL ( 8254 calls) h_psi:vnl : 50.14s CPU 50.48s WALL ( 8254 calls) add_vuspsi : 27.53s CPU 27.68s WALL ( 8254 calls) General routines calbec : 22.57s CPU 22.78s WALL ( 8254 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 132.15s CPU 133.41s WALL ( 765204 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.12s CPU 0.20s WALL ( 402 calls) Parallel routines fft_scatter : 44.04s CPU 44.03s WALL ( 765227 calls) PWSCF : 5m44.57s CPU 6m 2.52s WALL This run was terminated on: 19:25: 3 27Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=