Program PWSCF v.5.1.1 starts on 2Nov2015 at 7:47:45 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./TaTl3S4.save/ file Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 65 44 12 2292 1280 194 Max 66 45 13 2295 1305 197 Sum 3121 2121 607 110109 62015 9405 bravais-lattice index = 14 lattice parameter (alat) = 12.5327 a.u. unit-cell volume = 1515.3488 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 76.00 number of Kohn-Sham states= 92 kinetic-energy cutoff = 45.0000 Ry charge density cutoff = 265.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.532705 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 S read from file: /home/autes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 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 Tl read from file: /home/autes/Pseudo/Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: cd969aa200d2b9b89aab382fbbb9d684 Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1281 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Ta read from file: /home/autes/Pseudo/Ta.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: ce7a4fa75595c0f83f911fa846a48acf Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1273 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) Tl 13.00 204.38330 Tl( 1.00) Ta 13.00 180.94790 Ta( 1.00) 2 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 2) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_s (m) there are 4 classes and 2 irreducible representations the character table: E -E s -s G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E s -s G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 s 2 -E -1 -s -2 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 0.2976190), wk = 0.0049751 k( 27) = ( 0.3095238 -0.3095238 0.3095238), wk = 0.0049751 k( 28) = ( 0.3214286 -0.3214286 0.3214286), wk = 0.0049751 k( 29) = ( 0.3333333 -0.3333333 0.3333333), wk = 0.0049751 k( 30) = ( 0.3452381 -0.3452381 0.3452381), wk = 0.0049751 k( 31) = ( 0.3571429 -0.3571429 0.3571429), wk = 0.0049751 k( 32) = ( 0.3690476 -0.3690476 0.3690476), wk = 0.0049751 k( 33) = ( 0.3809524 -0.3809524 0.3809524), wk = 0.0049751 k( 34) = ( 0.3928571 -0.3928571 0.3928571), wk = 0.0049751 k( 35) = ( 0.4047619 -0.4047619 0.4047619), wk = 0.0049751 k( 36) = ( 0.4166667 -0.4166667 0.4166667), wk = 0.0049751 k( 37) = ( 0.4285714 -0.4285714 0.4285714), wk = 0.0049751 k( 38) = ( 0.4404762 -0.4404762 0.4404762), wk = 0.0049751 k( 39) = ( 0.4523810 -0.4523810 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: 110109 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 62015 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.47 Mb ( 334, 92) NL pseudopotentials 0.69 Mb ( 167, 272) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.02 Mb ( 2294) G-vector shells 0.00 Mb ( 479) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.88 Mb ( 334, 368) Each subspace H/S matrix 2.07 Mb ( 368, 368) Each matrix 0.76 Mb ( 272, 2, 92) The potential is recalculated from file : ./TaTl3S4.save/charge-density.dat Starting wfc are 106 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 49.3 secs Computing kpt #: 2 total cpu time spent up to now is 54.9 secs Computing kpt #: 3 total cpu time spent up to now is 60.6 secs Computing kpt #: 4 total cpu time spent up to now is 66.4 secs Computing kpt #: 5 total cpu time spent up to now is 72.1 secs Computing kpt #: 6 total cpu time spent up to now is 77.9 secs Computing kpt #: 7 total cpu time spent up to now is 83.7 secs Computing kpt #: 8 total cpu time spent up to now is 89.5 secs Computing kpt #: 9 total cpu time spent up to now is 95.9 secs Computing kpt #: 10 total cpu time spent up to now is 103.2 secs Computing kpt #: 11 total cpu time spent up to now is 108.9 secs Computing kpt #: 12 total cpu time spent up to now is 114.5 secs Computing kpt #: 13 total cpu time spent up to now is 120.2 secs Computing kpt #: 14 total cpu time spent up to now is 126.6 secs Computing kpt #: 15 total cpu time spent up to now is 132.9 secs Computing kpt #: 16 total cpu time spent up to now is 139.3 secs Computing kpt #: 17 total cpu time spent up to now is 145.7 secs Computing kpt #: 18 total cpu time spent up to now is 152.2 secs Computing kpt #: 19 total cpu time spent up to now is 158.6 secs Computing kpt #: 20 total cpu time spent up to now is 164.9 secs Computing kpt #: 21 total cpu time spent up to now is 171.2 secs Computing kpt #: 22 total cpu time spent up to now is 177.5 secs Computing kpt #: 23 total cpu time spent up to now is 183.8 secs Computing kpt #: 24 total cpu time spent up to now is 190.1 secs Computing kpt #: 25 total cpu time spent up to now is 196.3 secs Computing kpt #: 26 total cpu time spent up to now is 202.9 secs Computing kpt #: 27 total cpu time spent up to now is 209.3 secs Computing kpt #: 28 total cpu time spent up to now is 215.7 secs Computing kpt #: 29 total cpu time spent up to now is 221.5 secs Computing kpt #: 30 total cpu time spent up to now is 227.3 secs Computing kpt #: 31 total cpu time spent up to now is 233.1 secs Computing kpt #: 32 total cpu time spent up to now is 239.0 secs Computing kpt #: 33 total cpu time spent up to now is 244.9 secs Computing kpt #: 34 total cpu time spent up to now is 250.9 secs Computing kpt #: 35 total cpu time spent up to now is 256.8 secs Computing kpt #: 36 total cpu time spent up to now is 262.8 secs Computing kpt #: 37 total cpu time spent up to now is 268.7 secs Computing kpt #: 38 total cpu time spent up to now is 274.5 secs Computing kpt #: 39 total cpu time spent up to now is 280.4 secs Computing kpt #: 40 total cpu time spent up to now is 286.2 secs Computing kpt #: 41 total cpu time spent up to now is 292.0 secs Computing kpt #: 42 total cpu time spent up to now is 297.9 secs Computing kpt #: 43 total cpu time spent up to now is 303.8 secs Computing kpt #: 44 total cpu time spent up to now is 309.7 secs Computing kpt #: 45 total cpu time spent up to now is 315.6 secs Computing kpt #: 46 total cpu time spent up to now is 321.5 secs Computing kpt #: 47 total cpu time spent up to now is 327.4 secs Computing kpt #: 48 total cpu time spent up to now is 333.2 secs Computing kpt #: 49 total cpu time spent up to now is 339.2 secs Computing kpt #: 50 total cpu time spent up to now is 345.1 secs Computing kpt #: 51 total cpu time spent up to now is 351.1 secs Computing kpt #: 52 total cpu time spent up to now is 357.0 secs Computing kpt #: 53 total cpu time spent up to now is 363.0 secs Computing kpt #: 54 total cpu time spent up to now is 368.9 secs Computing kpt #: 55 total cpu time spent up to now is 374.9 secs Computing kpt #: 56 total cpu time spent up to now is 380.7 secs Computing kpt #: 57 total cpu time spent up to now is 386.5 secs Computing kpt #: 58 total cpu time spent up to now is 392.4 secs Computing kpt #: 59 total cpu time spent up to now is 400.3 secs Computing kpt #: 60 total cpu time spent up to now is 406.5 secs Computing kpt #: 61 total cpu time spent up to now is 412.4 secs Computing kpt #: 62 total cpu time spent up to now is 418.4 secs Computing kpt #: 63 total cpu time spent up to now is 424.3 secs Computing kpt #: 64 total cpu time spent up to now is 430.2 secs Computing kpt #: 65 total cpu time spent up to now is 436.5 secs Computing kpt #: 66 total cpu time spent up to now is 442.9 secs Computing kpt #: 67 total cpu time spent up to now is 449.2 secs Computing kpt #: 68 total cpu time spent up to now is 455.8 secs Computing kpt #: 69 total cpu time spent up to now is 462.3 secs Computing kpt #: 70 total cpu time spent up to now is 468.8 secs Computing kpt #: 71 total cpu time spent up to now is 475.5 secs Computing kpt #: 72 total cpu time spent up to now is 482.1 secs Computing kpt #: 73 total cpu time spent up to now is 488.7 secs Computing kpt #: 74 total cpu time spent up to now is 495.2 secs Computing kpt #: 75 total cpu time spent up to now is 501.7 secs Computing kpt #: 76 total cpu time spent up to now is 508.5 secs Computing kpt #: 77 total cpu time spent up to now is 515.1 secs Computing kpt #: 78 total cpu time spent up to now is 521.7 secs Computing kpt #: 79 total cpu time spent up to now is 528.4 secs Computing kpt #: 80 total cpu time spent up to now is 535.0 secs Computing kpt #: 81 total cpu time spent up to now is 541.6 secs Computing kpt #: 82 total cpu time spent up to now is 548.1 secs Computing kpt #: 83 total cpu time spent up to now is 554.6 secs Computing kpt #: 84 total cpu time spent up to now is 561.1 secs Computing kpt #: 85 total cpu time spent up to now is 567.7 secs Computing kpt #: 86 total cpu time spent up to now is 574.2 secs Computing kpt #: 87 total cpu time spent up to now is 580.6 secs Computing kpt #: 88 total cpu time spent up to now is 587.1 secs Computing kpt #: 89 total cpu time spent up to now is 593.6 secs Computing kpt #: 90 total cpu time spent up to now is 599.5 secs Computing kpt #: 91 total cpu time spent up to now is 605.4 secs Computing kpt #: 92 total cpu time spent up to now is 611.3 secs Computing kpt #: 93 total cpu time spent up to now is 617.2 secs Computing kpt #: 94 total cpu time spent up to now is 623.0 secs Computing kpt #: 95 total cpu time spent up to now is 628.9 secs Computing kpt #: 96 total cpu time spent up to now is 634.8 secs Computing kpt #: 97 total cpu time spent up to now is 640.7 secs Computing kpt #: 98 total cpu time spent up to now is 646.6 secs Computing kpt #: 99 total cpu time spent up to now is 652.4 secs Computing kpt #: 100 total cpu time spent up to now is 658.1 secs Computing kpt #: 101 total cpu time spent up to now is 663.9 secs Computing kpt #: 102 total cpu time spent up to now is 669.7 secs Computing kpt #: 103 total cpu time spent up to now is 675.5 secs Computing kpt #: 104 total cpu time spent up to now is 681.1 secs Computing kpt #: 105 total cpu time spent up to now is 686.6 secs Computing kpt #: 106 total cpu time spent up to now is 692.1 secs Computing kpt #: 107 total cpu time spent up to now is 699.4 secs Computing kpt #: 108 total cpu time spent up to now is 705.8 secs Computing kpt #: 109 total cpu time spent up to now is 711.6 secs Computing kpt #: 110 total cpu time spent up to now is 717.3 secs Computing kpt #: 111 total cpu time spent up to now is 723.0 secs Computing kpt #: 112 total cpu time spent up to now is 728.8 secs Computing kpt #: 113 total cpu time spent up to now is 734.6 secs Computing kpt #: 114 total cpu time spent up to now is 740.5 secs Computing kpt #: 115 total cpu time spent up to now is 746.3 secs Computing kpt #: 116 total cpu time spent up to now is 752.2 secs Computing kpt #: 117 total cpu time spent up to now is 758.0 secs Computing kpt #: 118 total cpu time spent up to now is 763.7 secs Computing kpt #: 119 total cpu time spent up to now is 769.5 secs Computing kpt #: 120 total cpu time spent up to now is 775.3 secs Computing kpt #: 121 total cpu time spent up to now is 781.1 secs Computing kpt #: 122 total cpu time spent up to now is 786.9 secs Computing kpt #: 123 total cpu time spent up to now is 792.7 secs Computing kpt #: 124 total cpu time spent up to now is 799.1 secs Computing kpt #: 125 total cpu time spent up to now is 805.6 secs Computing kpt #: 126 total cpu time spent up to now is 812.0 secs Computing kpt #: 127 total cpu time spent up to now is 818.4 secs Computing kpt #: 128 total cpu time spent up to now is 824.9 secs Computing kpt #: 129 total cpu time spent up to now is 831.4 secs Computing kpt #: 130 total cpu time spent up to now is 837.9 secs Computing kpt #: 131 total cpu time spent up to now is 844.4 secs Computing kpt #: 132 total cpu time spent up to now is 850.9 secs Computing kpt #: 133 total cpu time spent up to now is 857.3 secs Computing kpt #: 134 total cpu time spent up to now is 864.0 secs Computing kpt #: 135 total cpu time spent up to now is 870.4 secs Computing kpt #: 136 total cpu time spent up to now is 876.8 secs Computing kpt #: 137 total cpu time spent up to now is 883.1 secs Computing kpt #: 138 total cpu time spent up to now is 889.4 secs Computing kpt #: 139 total cpu time spent up to now is 895.8 secs Computing kpt #: 140 total cpu time spent up to now is 902.2 secs Computing kpt #: 141 total cpu time spent up to now is 908.5 secs Computing kpt #: 142 total cpu time spent up to now is 914.8 secs Computing kpt #: 143 total cpu time spent up to now is 921.1 secs Computing kpt #: 144 total cpu time spent up to now is 927.5 secs Computing kpt #: 145 total cpu time spent up to now is 933.8 secs Computing kpt #: 146 total cpu time spent up to now is 940.2 secs Computing kpt #: 147 total cpu time spent up to now is 946.5 secs Computing kpt #: 148 total cpu time spent up to now is 952.8 secs Computing kpt #: 149 total cpu time spent up to now is 959.1 secs Computing kpt #: 150 total cpu time spent up to now is 965.5 secs Computing kpt #: 151 total cpu time spent up to now is 971.9 secs Computing kpt #: 152 total cpu time spent up to now is 978.3 secs Computing kpt #: 153 total cpu time spent up to now is 984.6 secs Computing kpt #: 154 total cpu time spent up to now is 991.0 secs Computing kpt #: 155 total cpu time spent up to now is 998.0 secs Computing kpt #: 156 total cpu time spent up to now is 1004.5 secs Computing kpt #: 157 total cpu time spent up to now is 1010.9 secs Computing kpt #: 158 total cpu time spent up to now is 1017.2 secs Computing kpt #: 159 total cpu time spent up to now is 1023.5 secs Computing kpt #: 160 total cpu time spent up to now is 1029.3 secs Computing kpt #: 161 total cpu time spent up to now is 1035.2 secs Computing kpt #: 162 total cpu time spent up to now is 1041.5 secs Computing kpt #: 163 total cpu time spent up to now is 1047.4 secs Computing kpt #: 164 total cpu time spent up to now is 1053.2 secs Computing kpt #: 165 total cpu time spent up to now is 1058.9 secs Computing kpt #: 166 total cpu time spent up to now is 1064.7 secs Computing kpt #: 167 total cpu time spent up to now is 1070.5 secs Computing kpt #: 168 total cpu time spent up to now is 1076.7 secs Computing kpt #: 169 total cpu time spent up to now is 1082.6 secs Computing kpt #: 170 total cpu time spent up to now is 1088.6 secs Computing kpt #: 171 total cpu time spent up to now is 1094.4 secs Computing kpt #: 172 total cpu time spent up to now is 1100.4 secs Computing kpt #: 173 total cpu time spent up to now is 1106.5 secs Computing kpt #: 174 total cpu time spent up to now is 1112.4 secs Computing kpt #: 175 total cpu time spent up to now is 1118.2 secs Computing kpt #: 176 total cpu time spent up to now is 1124.1 secs Computing kpt #: 177 total cpu time spent up to now is 1130.0 secs Computing kpt #: 178 total cpu time spent up to now is 1135.8 secs Computing kpt #: 179 total cpu time spent up to now is 1141.5 secs Computing kpt #: 180 total cpu time spent up to now is 1147.8 secs Computing kpt #: 181 total cpu time spent up to now is 1154.1 secs Computing kpt #: 182 total cpu time spent up to now is 1160.4 secs Computing kpt #: 183 total cpu time spent up to now is 1166.6 secs Computing kpt #: 184 total cpu time spent up to now is 1172.9 secs Computing kpt #: 185 total cpu time spent up to now is 1179.4 secs Computing kpt #: 186 total cpu time spent up to now is 1185.7 secs Computing kpt #: 187 total cpu time spent up to now is 1192.0 secs Computing kpt #: 188 total cpu time spent up to now is 1198.4 secs Computing kpt #: 189 total cpu time spent up to now is 1204.7 secs Computing kpt #: 190 total cpu time spent up to now is 1211.1 secs Computing kpt #: 191 total cpu time spent up to now is 1217.5 secs Computing kpt #: 192 total cpu time spent up to now is 1223.9 secs Computing kpt #: 193 total cpu time spent up to now is 1230.4 secs Computing kpt #: 194 total cpu time spent up to now is 1236.7 secs Computing kpt #: 195 total cpu time spent up to now is 1243.2 secs Computing kpt #: 196 total cpu time spent up to now is 1249.6 secs Computing kpt #: 197 total cpu time spent up to now is 1256.1 secs Computing kpt #: 198 total cpu time spent up to now is 1262.6 secs Computing kpt #: 199 total cpu time spent up to now is 1269.1 secs Computing kpt #: 200 total cpu time spent up to now is 1275.7 secs Computing kpt #: 201 total cpu time spent up to now is 1282.1 secs ethr = 1.32E-11, avg # of iterations = 20.6 total cpu time spent up to now is 1282.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7803 PWs) bands (ev): -61.9315 -61.9315 -34.7880 -34.7880 -26.0718 -26.0718 -26.0718 -26.0718 -6.0232 -6.0232 -5.5670 -5.5670 -5.4854 -5.4854 -5.4854 -5.4854 -5.3064 -5.3064 -5.3063 -5.3063 -5.2271 -5.2271 -4.9309 -4.9309 -4.9309 -4.9309 -4.9304 -4.9304 -3.1719 -3.1719 -3.1719 -3.1719 -3.0914 -3.0914 -3.0520 -3.0520 -3.0520 -3.0520 -3.0234 -3.0234 -3.0016 -3.0016 -3.0016 -3.0016 -2.9570 -2.9570 1.4465 1.4465 1.7096 1.7096 1.7096 1.7096 3.3068 3.3068 3.4753 3.4753 3.5052 3.5052 3.5052 3.5052 3.7296 3.7296 3.7296 3.7296 3.8352 3.8352 4.0268 4.0268 4.0322 4.0322 4.0322 4.0322 5.2219 5.2219 5.2219 5.2219 8.5159 8.5159 8.5159 8.5159 8.6069 8.6069 8.8844 8.8844 8.8844 8.8844 9.7177 9.7177 9.7177 9.7177 10.3917 10.3917 k = 0.0119-0.0084 0.0146 ( 7803 PWs) bands (ev): -61.9315 -61.9315 -34.7880 -34.7880 -26.0718 -26.0718 -26.0718 -26.0718 -6.0227 -6.0227 -5.5669 -5.5669 -5.4903 -5.4903 -5.4804 -5.4804 -5.3064 -5.3064 -5.3063 -5.3063 -5.2271 -5.2271 -4.9393 -4.9393 -4.9306 -4.9306 -4.9229 -4.9229 -3.1720 -3.1720 -3.1717 -3.1717 -3.0914 -3.0914 -3.0534 -3.0534 -3.0509 -3.0509 -3.0235 -3.0235 -3.0038 -3.0038 -2.9993 -2.9993 -2.9571 -2.9571 1.4442 1.4442 1.7051 1.7051 1.7105 1.7105 3.3053 3.3053 3.4689 3.4689 3.4939 3.4939 3.5180 3.5180 3.7239 3.7239 3.7442 3.7442 3.8394 3.8394 4.0283 4.0283 4.0304 4.0304 4.0366 4.0366 5.2198 5.2198 5.2251 5.2251 8.5092 8.5092 8.5212 8.5212 8.6087 8.6087 8.8814 8.8814 8.8873 8.8873 9.7006 9.7006 9.7323 9.7323 10.3890 10.3890 k = 0.0238-0.0168 0.0292 ( 7779 PWs) bands (ev): -61.9315 -61.9315 -34.7879 -34.7879 -26.0717 -26.0717 -26.0717 -26.0717 -6.0210 -6.0210 -5.5665 -5.5665 -5.4951 -5.4951 -5.4752 -5.4752 -5.3063 -5.3063 -5.3061 -5.3061 -5.2271 -5.2271 -4.9482 -4.9482 -4.9313 -4.9313 -4.9154 -4.9154 -3.1720 -3.1720 -3.1713 -3.1713 -3.0913 -3.0913 -3.0551 -3.0551 -3.0502 -3.0502 -3.0237 -3.0237 -3.0058 -3.0058 -2.9970 -2.9970 -2.9572 -2.9572 1.4372 1.4372 1.6919 1.6919 1.7131 1.7131 3.3008 3.3008 3.4528 3.4528 3.4839 3.4839 3.5296 3.5296 3.7292 3.7292 3.7653 3.7653 3.8519 3.8519 4.0300 4.0300 4.0339 4.0339 4.0437 4.0437 5.2190 5.2190 5.2294 5.2294 8.5013 8.5013 8.5247 8.5247 8.6140 8.6140 8.8786 8.8786 8.8900 8.8900 9.6797 9.6797 9.7453 9.7453 10.3809 10.3809 k = 0.0357-0.0253 0.0437 ( 7771 PWs) bands (ev): -61.9315 -61.9315 -34.7879 -34.7879 -26.0717 -26.0717 -26.0717 -26.0717 -6.0182 -6.0182 -5.5659 -5.5659 -5.4996 -5.4996 -5.4699 -5.4699 -5.3062 -5.3062 -5.3059 -5.3059 -5.2272 -5.2272 -4.9576 -4.9576 -4.9324 -4.9324 -4.9085 -4.9085 -3.1721 -3.1721 -3.1708 -3.1708 -3.0913 -3.0913 -3.0572 -3.0572 -3.0497 -3.0497 -3.0241 -3.0241 -3.0077 -3.0077 -2.9947 -2.9947 -2.9575 -2.9575 1.4256 1.4256 1.6705 1.6705 1.7177 1.7177 3.2935 3.2935 3.4321 3.4321 3.4717 3.4717 3.5398 3.5398 3.7460 3.7460 3.7908 3.7908 3.8717 3.8717 4.0322 4.0322 4.0422 4.0422 4.0538 4.0538 5.2194 5.2194 5.2348 5.2348 8.4925 8.4925 8.5263 8.5263 8.6223 8.6223 8.8762 8.8762 8.8926 8.8926 9.6544 9.6544 9.7574 9.7574 10.3686 10.3686 k = 0.0476-0.0337 0.0583 ( 7771 PWs) bands (ev): -61.9315 -61.9315 -34.7879 -34.7879 -26.0717 -26.0717 -26.0717 -26.0717 -6.0142 -6.0142 -5.5651 -5.5651 -5.5040 -5.5040 -5.4644 -5.4644 -5.3061 -5.3061 -5.3056 -5.3056 -5.2274 -5.2274 -4.9674 -4.9674 -4.9339 -4.9339 -4.9021 -4.9021 -3.1721 -3.1721 -3.1701 -3.1701 -3.0912 -3.0912 -3.0597 -3.0597 -3.0494 -3.0494 -3.0247 -3.0247 -3.0094 -3.0094 -2.9925 -2.9925 -2.9578 -2.9578 1.4094 1.4094 1.6414 1.6414 1.7243 1.7243 3.2834 3.2834 3.4092 3.4092 3.4562 3.4562 3.5499 3.5499 3.7725 3.7725 3.8191 3.8191 3.8980 3.8980 4.0366 4.0366 4.0537 4.0537 4.0674 4.0674 5.2211 5.2211 5.2414 5.2414 8.4832 8.4832 8.5258 8.5258 8.6330 8.6330 8.8747 8.8747 8.8949 8.8949 9.6241 9.6241 9.7680 9.7680 10.3535 10.3535 k = 0.0595-0.0421 0.0729 ( 7763 PWs) bands (ev): -61.9315 -61.9315 -34.7879 -34.7879 -26.0717 -26.0717 -26.0717 -26.0717 -6.0092 -6.0092 -5.5640 -5.5640 -5.5082 -5.5082 -5.4589 -5.4589 -5.3060 -5.3060 -5.3052 -5.3052 -5.2275 -5.2275 -4.9775 -4.9775 -4.9359 -4.9359 -4.8963 -4.8963 -3.1722 -3.1722 -3.1691 -3.1691 -3.0911 -3.0911 -3.0625 -3.0625 -3.0494 -3.0494 -3.0254 -3.0254 -3.0110 -3.0110 -2.9905 -2.9905 -2.9582 -2.9582 1.3888 1.3888 1.6058 1.6058 1.7332 1.7332 3.2709 3.2709 3.3847 3.3847 3.4382 3.4382 3.5609 3.5609 3.8056 3.8056 3.8495 3.8495 3.9296 3.9296 4.0435 4.0435 4.0681 4.0681 4.0853 4.0853 5.2242 5.2242 5.2491 5.2491 8.4735 8.4735 8.5232 8.5232 8.6458 8.6458 8.8747 8.8747 8.8969 8.8969 9.5893 9.5893 9.7761 9.7761 10.3379 10.3379 k = 0.0714-0.0505 0.0875 ( 7767 PWs) bands (ev): -61.9315 -61.9315 -34.7879 -34.7879 -26.0717 -26.0717 -26.0717 -26.0717 -6.0031 -6.0031 -5.5628 -5.5628 -5.5122 -5.5122 -5.4533 -5.4533 -5.3058 -5.3058 -5.3047 -5.3047 -5.2278 -5.2278 -4.9879 -4.9879 -4.9383 -4.9383 -4.8911 -4.8911 -3.1723 -3.1723 -3.1680 -3.1680 -3.0910 -3.0910 -3.0656 -3.0656 -3.0495 -3.0495 -3.0262 -3.0262 -3.0125 -3.0125 -2.9887 -2.9887 -2.9586 -2.9586 1.3641 1.3641 1.5646 1.5646 1.7444 1.7444 3.2565 3.2565 3.3587 3.3587 3.4188 3.4188 3.5731 3.5731 3.8408 3.8408 3.8821 3.8821 3.9651 3.9651 4.0541 4.0541 4.0852 4.0852 4.1080 4.1080 5.2287 5.2287 5.2580 5.2580 8.4636 8.4636 8.5182 8.5182 8.6603 8.6603 8.8768 8.8768 8.8983 8.8983 9.5507 9.5507 9.7797 9.7797 10.3244 10.3244 k = 0.0833-0.0589 0.1021 ( 7767 PWs) bands (ev): -61.9315 -61.9315 -34.7879 -34.7879 -26.0717 -26.0717 -26.0717 -26.0717 -5.9960 -5.9960 -5.5612 -5.5612 -5.5159 -5.5159 -5.4476 -5.4476 -5.3056 -5.3056 -5.3042 -5.3042 -5.2281 -5.2281 -4.9987 -4.9987 -4.9410 -4.9410 -4.8865 -4.8865 -3.1724 -3.1723 -3.1667 -3.1667 -3.0910 -3.0910 -3.0689 -3.0689 -3.0497 -3.0497 -3.0273 -3.0273 -3.0139 -3.0139 -2.9872 -2.9872 -2.9589 -2.9589 1.3357 1.3357 1.5187 1.5187 1.7580 1.7580 3.2407 3.2407 3.3314 3.3314 3.3988 3.3988 3.5864 3.5864 3.8737 3.8737 3.9180 3.9180 4.0019 4.0019 4.0704 4.0704 4.1060 4.1060 4.1360 4.1360 5.2348 5.2348 5.2683 5.2683 8.4537 8.4537 8.5108 8.5108 8.6763 8.6763 8.8810 8.8810 8.8989 8.8989 9.5093 9.5093 9.7765 9.7765 10.3159 10.3159 k = 0.0952-0.0673 0.1166 ( 7743 PWs) bands (ev): -61.9315 -61.9315 -34.7879 -34.7879 -26.0717 -26.0717 -26.0716 -26.0716 -5.9879 -5.9879 -5.5595 -5.5595 -5.5195 -5.5195 -5.4418 -5.4418 -5.3053 -5.3053 -5.3036 -5.3036 -5.2284 -5.2284 -5.0096 -5.0096 -4.9442 -4.9442 -4.8825 -4.8825 -3.1725 -3.1725 -3.1652 -3.1652 -3.0909 -3.0909 -3.0723 -3.0723 -3.0499 -3.0499 -3.0285 -3.0285 -3.0153 -3.0153 -2.9859 -2.9859 -2.9591 -2.9591 1.3038 1.3038 1.4690 1.4690 1.7740 1.7740 3.2241 3.2241 3.3029 3.3029 3.3790 3.3790 3.6003 3.6003 3.9020 3.9020 3.9550 3.9550 4.0373 4.0373 4.0935 4.0935 4.1332 4.1332 4.1694 4.1694 5.2426 5.2426 5.2798 5.2798 8.4438 8.4438 8.5012 8.5012 8.6936 8.6936 8.8867 8.8867 8.8988 8.8988 9.4665 9.4665 9.7647 9.7647 10.3150 10.3150 k = 0.1071-0.0758 0.1312 ( 7735 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0717 -26.0717 -26.0716 -26.0716 -5.9788 -5.9788 -5.5576 -5.5576 -5.5228 -5.5228 -5.4361 -5.4361 -5.3050 -5.3050 -5.3029 -5.3029 -5.2289 -5.2289 -5.0208 -5.0208 -4.9477 -4.9477 -4.8792 -4.8792 -3.1726 -3.1726 -3.1636 -3.1636 -3.0910 -3.0910 -3.0758 -3.0758 -3.0502 -3.0502 -3.0298 -3.0298 -3.0167 -3.0167 -2.9849 -2.9849 -2.9592 -2.9592 1.2691 1.2691 1.4165 1.4165 1.7923 1.7923 3.2069 3.2069 3.2739 3.2739 3.3598 3.3598 3.6139 3.6139 3.9267 3.9267 3.9874 3.9874 4.0738 4.0738 4.1193 4.1193 4.1711 4.1711 4.2085 4.2085 5.2520 5.2520 5.2927 5.2927 8.4339 8.4339 8.4896 8.4896 8.7118 8.7118 8.8885 8.8885 8.9024 8.9024 9.4240 9.4240 9.7433 9.7433 10.3229 10.3229 k = 0.1190-0.0842 0.1458 ( 7731 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0716 -26.0716 -26.0716 -26.0716 -5.9689 -5.9689 -5.5554 -5.5554 -5.5258 -5.5258 -5.4303 -5.4303 -5.3046 -5.3046 -5.3022 -5.3022 -5.2294 -5.2294 -5.0321 -5.0321 -4.9516 -4.9516 -4.8765 -4.8765 -3.1728 -3.1728 -3.1618 -3.1618 -3.0913 -3.0913 -3.0791 -3.0791 -3.0505 -3.0505 -3.0313 -3.0313 -3.0183 -3.0183 -2.9843 -2.9843 -2.9591 -2.9591 1.2318 1.2319 1.3620 1.3620 1.8128 1.8128 3.1890 3.1890 3.2449 3.2449 3.3413 3.3413 3.6265 3.6265 3.9494 3.9494 4.0115 4.0115 4.1158 4.1158 4.1446 4.1446 4.2179 4.2179 4.2543 4.2543 5.2632 5.2632 5.3071 5.3071 8.4243 8.4243 8.4765 8.4765 8.7305 8.7305 8.8821 8.8821 8.9127 8.9127 9.3839 9.3839 9.7128 9.7128 10.3397 10.3397 k = 0.1310-0.0926 0.1604 ( 7731 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0716 -26.0716 -26.0716 -26.0716 -5.9580 -5.9580 -5.5531 -5.5531 -5.5286 -5.5286 -5.4245 -5.4245 -5.3041 -5.3041 -5.3014 -5.3014 -5.2301 -5.2301 -5.0435 -5.0435 -4.9558 -4.9558 -4.8744 -4.8744 -3.1730 -3.1730 -3.1599 -3.1599 -3.0920 -3.0920 -3.0821 -3.0821 -3.0508 -3.0508 -3.0329 -3.0329 -3.0200 -3.0200 -2.9839 -2.9839 -2.9589 -2.9589 1.1926 1.1926 1.3060 1.3060 1.8353 1.8353 3.1700 3.1700 3.2173 3.2173 3.3238 3.3238 3.6374 3.6374 3.9708 3.9708 4.0293 4.0293 4.1580 4.1580 4.1750 4.1750 4.2676 4.2676 4.3078 4.3078 5.2760 5.2760 5.3229 5.3229 8.4148 8.4148 8.4624 8.4624 8.7487 8.7487 8.8701 8.8701 8.9259 8.9259 9.3482 9.3482 9.6746 9.6746 10.3643 10.3643 k = 0.1429-0.1010 0.1750 ( 7747 PWs) bands (ev): -61.9315 -61.9315 -34.7879 -34.7879 -26.0717 -26.0717 -26.0717 -26.0717 -5.9465 -5.9465 -5.5506 -5.5506 -5.5311 -5.5311 -5.4188 -5.4188 -5.3036 -5.3036 -5.3006 -5.3006 -5.2309 -5.2309 -5.0548 -5.0548 -4.9604 -4.9604 -4.8730 -4.8730 -3.1732 -3.1732 -3.1579 -3.1579 -3.0935 -3.0935 -3.0843 -3.0843 -3.0511 -3.0511 -3.0347 -3.0347 -3.0219 -3.0219 -2.9837 -2.9837 -2.9586 -2.9586 1.1517 1.1517 1.2491 1.2492 1.8598 1.8598 3.1487 3.1487 3.1927 3.1927 3.3073 3.3073 3.6460 3.6460 3.9917 3.9917 4.0440 4.0440 4.1870 4.1870 4.2228 4.2228 4.3174 4.3174 4.3680 4.3680 5.2905 5.2905 5.3402 5.3402 8.4056 8.4056 8.4480 8.4480 8.7641 8.7641 8.8540 8.8540 8.9404 8.9404 9.3189 9.3189 9.6308 9.6308 10.3946 10.3946 k = 0.1548-0.1094 0.1895 ( 7715 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0716 -26.0716 -26.0716 -26.0716 -5.9341 -5.9341 -5.5481 -5.5481 -5.5331 -5.5331 -5.4132 -5.4132 -5.3029 -5.3029 -5.2997 -5.2997 -5.2319 -5.2319 -5.0661 -5.0661 -4.9651 -4.9651 -4.8721 -4.8721 -3.1735 -3.1735 -3.1558 -3.1558 -3.0958 -3.0958 -3.0855 -3.0855 -3.0513 -3.0513 -3.0366 -3.0366 -3.0239 -3.0239 -2.9837 -2.9837 -2.9583 -2.9583 1.1095 1.1095 1.1920 1.1920 1.8861 1.8861 3.1244 3.1244 3.1723 3.1723 3.2918 3.2918 3.6517 3.6517 4.0125 4.0125 4.0575 4.0575 4.2123 4.2123 4.2772 4.2772 4.3675 4.3675 4.4322 4.4322 5.3065 5.3065 5.3587 5.3587 8.3966 8.3966 8.4339 8.4339 8.7694 8.7694 8.8401 8.8401 8.9556 8.9556 9.2974 9.2974 9.5836 9.5836 10.4286 10.4286 k = 0.1667-0.1179 0.2041 ( 7691 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0716 -26.0716 -26.0715 -26.0715 -5.9212 -5.9212 -5.5456 -5.5456 -5.5346 -5.5346 -5.4078 -5.4078 -5.3022 -5.3022 -5.2987 -5.2987 -5.2330 -5.2330 -5.0773 -5.0773 -4.9702 -4.9702 -4.8720 -4.8720 -3.1739 -3.1739 -3.1536 -3.1536 -3.0987 -3.0987 -3.0861 -3.0861 -3.0515 -3.0515 -3.0387 -3.0387 -3.0261 -3.0261 -2.9838 -2.9838 -2.9579 -2.9579 1.0663 1.0663 1.1349 1.1349 1.9138 1.9138 3.0981 3.0981 3.1560 3.1560 3.2774 3.2774 3.6541 3.6541 4.0332 4.0332 4.0708 4.0708 4.2379 4.2379 4.3338 4.3338 4.4186 4.4186 4.4980 4.4980 5.3241 5.3241 5.3785 5.3785 8.3877 8.3877 8.4207 8.4207 8.7526 8.7526 8.8400 8.8400 8.9705 8.9705 9.2842 9.2842 9.5353 9.5353 10.4634 10.4634 k = 0.1786-0.1263 0.2187 ( 7723 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0716 -26.0716 -26.0716 -26.0716 -5.9077 -5.9077 -5.5436 -5.5436 -5.5351 -5.5351 -5.4025 -5.4025 -5.3013 -5.3013 -5.2977 -5.2977 -5.2344 -5.2344 -5.0882 -5.0882 -4.9755 -4.9755 -4.8725 -4.8725 -3.1744 -3.1744 -3.1515 -3.1515 -3.1019 -3.1019 -3.0863 -3.0863 -3.0517 -3.0517 -3.0409 -3.0409 -3.0285 -3.0285 -2.9839 -2.9839 -2.9576 -2.9576 1.0225 1.0225 1.0783 1.0783 1.9428 1.9428 3.0713 3.0713 3.1427 3.1427 3.2641 3.2641 3.6530 3.6530 4.0539 4.0539 4.0844 4.0844 4.2642 4.2642 4.3915 4.3915 4.4706 4.4706 4.5639 4.5639 5.3431 5.3431 5.3991 5.3991 8.3786 8.3786 8.4090 8.4090 8.7170 8.7170 8.8505 8.8505 8.9843 8.9843 9.2788 9.2788 9.4882 9.4882 10.4953 10.4953 k = 0.1905-0.1347 0.2333 ( 7727 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0716 -26.0716 -26.0716 -26.0716 -5.8937 -5.8937 -5.5425 -5.5425 -5.5342 -5.5342 -5.3975 -5.3975 -5.3003 -5.3003 -5.2966 -5.2966 -5.2361 -5.2361 -5.0988 -5.0988 -4.9809 -4.9809 -4.8736 -4.8736 -3.1749 -3.1749 -3.1492 -3.1492 -3.1051 -3.1051 -3.0863 -3.0863 -3.0518 -3.0518 -3.0432 -3.0432 -3.0310 -3.0310 -2.9841 -2.9841 -2.9573 -2.9573 0.9784 0.9784 1.0224 1.0224 1.9728 1.9728 3.0453 3.0453 3.1315 3.1315 3.2518 3.2518 3.6483 3.6483 4.0743 4.0743 4.0992 4.0992 4.2913 4.2913 4.4501 4.4501 4.5236 4.5236 4.6288 4.6288 5.3635 5.3635 5.4205 5.4205 8.3688 8.3688 8.3995 8.3995 8.6722 8.6722 8.8626 8.8626 8.9962 8.9962 9.2802 9.2802 9.4447 9.4447 10.5178 10.5178 k = 0.2024-0.1431 0.2479 ( 7739 PWs) bands (ev): -61.9315 -61.9315 -34.7879 -34.7879 -26.0717 -26.0717 -26.0717 -26.0717 -5.8794 -5.8794 -5.5425 -5.5425 -5.5318 -5.5318 -5.3929 -5.3929 -5.2992 -5.2992 -5.2954 -5.2954 -5.2379 -5.2379 -5.1090 -5.1090 -4.9865 -4.9865 -4.8754 -4.8754 -3.1755 -3.1755 -3.1470 -3.1470 -3.1082 -3.1082 -3.0863 -3.0863 -3.0520 -3.0520 -3.0455 -3.0455 -3.0334 -3.0334 -2.9842 -2.9842 -2.9571 -2.9571 0.9341 0.9341 0.9675 0.9675 2.0034 2.0034 3.0212 3.0212 3.1220 3.1220 3.2406 3.2406 3.6401 3.6401 4.0937 4.0937 4.1158 4.1158 4.3191 4.3191 4.5090 4.5090 4.5773 4.5773 4.6919 4.6919 5.3850 5.3850 5.4422 5.4422 8.3578 8.3578 8.3926 8.3926 8.6233 8.6233 8.8719 8.8719 9.0055 9.0055 9.2871 9.2871 9.4075 9.4075 10.5201 10.5201 k = 0.2143-0.1515 0.2624 ( 7719 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0716 -26.0716 -26.0716 -26.0716 -5.8648 -5.8648 -5.5426 -5.5426 -5.5287 -5.5287 -5.3887 -5.3887 -5.2980 -5.2980 -5.2940 -5.2940 -5.2400 -5.2400 -5.1187 -5.1187 -4.9923 -4.9922 -4.8777 -4.8777 -3.1762 -3.1762 -3.1448 -3.1447 -3.1110 -3.1110 -3.0862 -3.0862 -3.0526 -3.0526 -3.0476 -3.0476 -3.0358 -3.0358 -2.9844 -2.9844 -2.9571 -2.9571 0.8899 0.8899 0.9139 0.9139 2.0341 2.0341 2.9997 2.9997 3.1140 3.1140 3.2304 3.2304 3.6286 3.6286 4.1114 4.1114 4.1350 4.1350 4.3475 4.3475 4.5682 4.5682 4.6316 4.6316 4.7526 4.7526 5.4075 5.4075 5.4639 5.4639 8.3449 8.3449 8.3883 8.3883 8.5735 8.5735 8.8752 8.8752 9.0121 9.0121 9.2982 9.2982 9.3791 9.3791 10.4916 10.4916 k = 0.2262-0.1599 0.2770 ( 7731 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0717 -26.0717 -26.0716 -26.0716 -5.8500 -5.8500 -5.5427 -5.5427 -5.5251 -5.5251 -5.3850 -5.3850 -5.2967 -5.2967 -5.2922 -5.2922 -5.2424 -5.2424 -5.1279 -5.1279 -4.9981 -4.9981 -4.8807 -4.8807 -3.1770 -3.1770 -3.1426 -3.1426 -3.1137 -3.1137 -3.0861 -3.0861 -3.0539 -3.0539 -3.0492 -3.0492 -3.0380 -3.0380 -2.9846 -2.9846 -2.9571 -2.9571 0.8460 0.8460 0.8618 0.8618 2.0644 2.0644 2.9817 2.9817 3.1074 3.1074 3.2212 3.2212 3.6139 3.6139 4.1276 4.1276 4.1565 4.1565 4.3763 4.3763 4.6273 4.6273 4.6863 4.6863 4.8105 4.8105 5.4306 5.4307 5.4851 5.4851 8.3289 8.3289 8.3863 8.3863 8.5262 8.5262 8.8698 8.8698 9.0169 9.0169 9.3126 9.3126 9.3612 9.3612 10.4336 10.4336 k = 0.2381-0.1684 0.2916 ( 7739 PWs) bands (ev): -61.9315 -61.9315 -34.7879 -34.7879 -26.0717 -26.0717 -26.0717 -26.0717 -5.8352 -5.8352 -5.5424 -5.5424 -5.5213 -5.5213 -5.3820 -5.3820 -5.2956 -5.2956 -5.2900 -5.2900 -5.2450 -5.2450 -5.1363 -5.1363 -5.0039 -5.0039 -4.8843 -4.8843 -3.1780 -3.1780 -3.1405 -3.1405 -3.1160 -3.1160 -3.0861 -3.0861 -3.0561 -3.0561 -3.0501 -3.0501 -3.0398 -3.0398 -2.9848 -2.9848 -2.9573 -2.9573 0.8024 0.8024 0.8114 0.8114 2.0938 2.0938 2.9679 2.9679 3.1021 3.1021 3.2129 3.2129 3.5964 3.5964 4.1431 4.1431 4.1796 4.1796 4.4053 4.4053 4.6860 4.6860 4.7410 4.7410 4.8653 4.8653 5.4542 5.4542 5.5056 5.5056 8.3075 8.3075 8.3863 8.3863 8.4850 8.4850 8.8540 8.8540 9.0212 9.0212 9.3291 9.3291 9.3538 9.3538 10.3561 10.3561 k = 0.2500-0.1768 0.3062 ( 7747 PWs) bands (ev): -61.9315 -61.9315 -34.7879 -34.7879 -26.0717 -26.0717 -26.0717 -26.0717 -5.8205 -5.8205 -5.5418 -5.5418 -5.5174 -5.5174 -5.3797 -5.3797 -5.2945 -5.2945 -5.2872 -5.2872 -5.2478 -5.2478 -5.1441 -5.1441 -5.0098 -5.0098 -4.8885 -4.8885 -3.1791 -3.1791 -3.1386 -3.1386 -3.1181 -3.1181 -3.0862 -3.0862 -3.0588 -3.0588 -3.0508 -3.0508 -3.0411 -3.0411 -2.9851 -2.9851 -2.9576 -2.9576 0.7590 0.7590 0.7632 0.7632 2.1216 2.1216 2.9591 2.9591 3.0979 3.0979 3.2055 3.2055 3.5765 3.5765 4.1583 4.1583 4.2036 4.2036 4.4342 4.4342 4.7441 4.7441 4.7956 4.7956 4.9168 4.9168 5.4777 5.4777 5.5252 5.5252 8.2783 8.2783 8.3878 8.3878 8.4537 8.4537 8.8283 8.8283 9.0259 9.0259 9.3468 9.3468 9.3556 9.3556 10.2676 10.2676 k = 0.2619-0.1852 0.3208 ( 7743 PWs) bands (ev): -61.9315 -61.9315 -34.7879 -34.7879 -26.0717 -26.0717 -26.0717 -26.0717 -5.8060 -5.8060 -5.5408 -5.5408 -5.5134 -5.5134 -5.3782 -5.3782 -5.2934 -5.2934 -5.2839 -5.2839 -5.2507 -5.2507 -5.1510 -5.1510 -5.0156 -5.0156 -4.8933 -4.8933 -3.1803 -3.1803 -3.1367 -3.1367 -3.1197 -3.1197 -3.0865 -3.0865 -3.0615 -3.0615 -3.0518 -3.0518 -3.0418 -3.0418 -2.9853 -2.9853 -2.9579 -2.9579 0.7142 0.7142 0.7191 0.7191 2.1472 2.1472 2.9559 2.9559 3.0949 3.0949 3.1990 3.1990 3.5544 3.5544 4.1734 4.1734 4.2281 4.2281 4.4627 4.4627 4.8014 4.8014 4.8498 4.8498 4.9652 4.9652 5.5005 5.5005 5.5437 5.5437 8.2409 8.2409 8.3898 8.3898 8.4345 8.4345 8.7950 8.7950 9.0308 9.0308 9.3636 9.3636 9.3657 9.3657 10.1739 10.1739 k = 0.2738-0.1936 0.3353 ( 7747 PWs) bands (ev): -61.9315 -61.9315 -34.7879 -34.7879 -26.0717 -26.0717 -26.0717 -26.0717 -5.7919 -5.7919 -5.5394 -5.5394 -5.5093 -5.5093 -5.3776 -5.3776 -5.2925 -5.2925 -5.2801 -5.2801 -5.2535 -5.2535 -5.1572 -5.1572 -5.0214 -5.0214 -4.8986 -4.8986 -3.1816 -3.1816 -3.1350 -3.1350 -3.1211 -3.1211 -3.0870 -3.0870 -3.0641 -3.0641 -3.0530 -3.0530 -3.0418 -3.0418 -2.9856 -2.9856 -2.9584 -2.9584 0.6695 0.6695 0.6777 0.6777 2.1700 2.1700 2.9590 2.9590 3.0929 3.0929 3.1932 3.1932 3.5305 3.5305 4.1885 4.1885 4.2530 4.2530 4.4905 4.4905 4.8576 4.8576 4.9032 4.9032 5.0106 5.0106 5.5219 5.5219 5.5612 5.5612 8.1974 8.1974 8.3902 8.3902 8.4274 8.4274 8.7569 8.7569 9.0349 9.0349 9.3769 9.3769 9.3837 9.3837 10.0791 10.0791 k = 0.2857-0.2020 0.3499 ( 7748 PWs) bands (ev): -61.9315 -61.9315 -34.7879 -34.7879 -26.0717 -26.0717 -26.0717 -26.0717 -5.7781 -5.7781 -5.5374 -5.5374 -5.5053 -5.5053 -5.3780 -5.3780 -5.2916 -5.2916 -5.2758 -5.2758 -5.2561 -5.2561 -5.1627 -5.1627 -5.0271 -5.0271 -4.9045 -4.9045 -3.1830 -3.1830 -3.1336 -3.1336 -3.1221 -3.1221 -3.0880 -3.0880 -3.0664 -3.0664 -3.0545 -3.0545 -3.0413 -3.0413 -2.9860 -2.9860 -2.9590 -2.9590 0.6265 0.6265 0.6377 0.6377 2.1896 2.1896 2.9688 2.9688 3.0919 3.0919 3.1882 3.1882 3.5052 3.5052 4.2036 4.2036 4.2781 4.2781 4.5173 4.5173 4.9124 4.9124 4.9554 4.9554 5.0531 5.0531 5.5411 5.5411 5.5780 5.5780 8.1510 8.1510 8.3880 8.3880 8.4303 8.4303 8.7164 8.7164 9.0371 9.0371 9.3923 9.3923 9.4012 9.4012 9.9864 9.9864 k = 0.2976-0.2104 0.3645 ( 7732 PWs) bands (ev): -61.9315 -61.9315 -34.7879 -34.7879 -26.0717 -26.0717 -26.0717 -26.0717 -5.7650 -5.7650 -5.5350 -5.5350 -5.5013 -5.5013 -5.3793 -5.3793 -5.2908 -5.2908 -5.2716 -5.2716 -5.2579 -5.2579 -5.1673 -5.1673 -5.0326 -5.0326 -4.9109 -4.9109 -3.1846 -3.1846 -3.1323 -3.1323 -3.1227 -3.1227 -3.0894 -3.0894 -3.0682 -3.0682 -3.0561 -3.0561 -3.0405 -3.0405 -2.9864 -2.9864 -2.9597 -2.9597 0.5856 0.5856 0.5990 0.5990 2.2057 2.2057 2.9855 2.9855 3.0918 3.0918 3.1839 3.1839 3.4789 3.4789 4.2185 4.2185 4.3032 4.3032 4.5427 4.5427 4.9655 4.9655 5.0062 5.0062 5.0931 5.0931 5.5574 5.5574 5.5942 5.5942 8.1041 8.1041 8.3847 8.3847 8.4393 8.4393 8.6757 8.6757 9.0362 9.0362 9.4085 9.4085 9.4175 9.4175 9.8987 9.8987 k = 0.3095-0.2189 0.3791 ( 7744 PWs) bands (ev): -61.9315 -61.9315 -34.7879 -34.7879 -26.0717 -26.0717 -26.0717 -26.0717 -5.7525 -5.7525 -5.5321 -5.5321 -5.4974 -5.4974 -5.3815 -5.3815 -5.2900 -5.2900 -5.2687 -5.2687 -5.2576 -5.2576 -5.1713 -5.1713 -5.0379 -5.0379 -4.9179 -4.9179 -3.1862 -3.1862 -3.1312 -3.1312 -3.1229 -3.1229 -3.0913 -3.0913 -3.0695 -3.0695 -3.0578 -3.0578 -3.0394 -3.0394 -2.9869 -2.9869 -2.9604 -2.9604 0.5468 0.5468 0.5618 0.5618 2.2182 2.2182 3.0089 3.0089 3.0927 3.0927 3.1801 3.1801 3.4518 3.4518 4.2333 4.2333 4.3281 4.3281 4.5661 4.5661 5.0168 5.0168 5.0550 5.0550 5.1309 5.1309 5.5704 5.5704 5.6099 5.6099 8.0581 8.0581 8.3810 8.3810 8.4512 8.4512 8.6363 8.6363 9.0311 9.0311 9.4242 9.4242 9.4322 9.4322 9.8184 9.8184 k = 0.3214-0.2273 0.3937 ( 7736 PWs) bands (ev): -61.9315 -61.9315 -34.7879 -34.7879 -26.0717 -26.0717 -26.0717 -26.0717 -5.7407 -5.7407 -5.5287 -5.5287 -5.4936 -5.4936 -5.3845 -5.3845 -5.2893 -5.2893 -5.2684 -5.2684 -5.2538 -5.2538 -5.1745 -5.1745 -5.0431 -5.0431 -4.9253 -4.9253 -3.1878 -3.1878 -3.1304 -3.1304 -3.1228 -3.1228 -3.0935 -3.0935 -3.0704 -3.0704 -3.0594 -3.0594 -3.0381 -3.0381 -2.9875 -2.9875 -2.9612 -2.9612 0.5102 0.5102 0.5260 0.5260 2.2275 2.2275 3.0382 3.0382 3.0948 3.0948 3.1768 3.1768 3.4245 3.4245 4.2478 4.2478 4.3528 4.3528 4.5872 4.5872 5.0660 5.0660 5.1014 5.1014 5.1671 5.1671 5.5805 5.5805 5.6247 5.6247 8.0141 8.0141 8.3770 8.3770 8.4637 8.4637 8.6003 8.6003 9.0205 9.0205 9.4381 9.4381 9.4453 9.4453 9.7478 9.7478 k = 0.3333-0.2357 0.4082 ( 7740 PWs) bands (ev): -61.9315 -61.9315 -34.7879 -34.7879 -26.0717 -26.0717 -26.0717 -26.0717 -5.7298 -5.7298 -5.5249 -5.5249 -5.4901 -5.4901 -5.3882 -5.3882 -5.2887 -5.2887 -5.2697 -5.2697 -5.2478 -5.2478 -5.1771 -5.1771 -5.0480 -5.0480 -4.9332 -4.9332 -3.1896 -3.1896 -3.1298 -3.1298 -3.1224 -3.1224 -3.0961 -3.0961 -3.0709 -3.0709 -3.0609 -3.0609 -3.0367 -3.0367 -2.9881 -2.9881 -2.9620 -2.9620 0.4758 0.4759 0.4918 0.4918 2.2338 2.2338 3.0707 3.0707 3.1003 3.1003 3.1740 3.1740 3.3971 3.3971 4.2617 4.2617 4.3770 4.3770 4.6055 4.6055 5.1128 5.1128 5.1448 5.1448 5.2021 5.2021 5.5882 5.5882 5.6380 5.6380 7.9725 7.9725 8.3723 8.3723 8.4734 8.4734 8.5713 8.5713 9.0037 9.0037 9.4489 9.4489 9.4568 9.4568 9.6884 9.6884 k = 0.3452-0.2441 0.4228 ( 7720 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0717 -26.0717 -26.0717 -26.0717 -5.7197 -5.7197 -5.5206 -5.5206 -5.4869 -5.4869 -5.3923 -5.3923 -5.2880 -5.2880 -5.2712 -5.2712 -5.2409 -5.2409 -5.1789 -5.1789 -5.0527 -5.0527 -4.9416 -4.9416 -3.1913 -3.1913 -3.1292 -3.1292 -3.1218 -3.1218 -3.0987 -3.0987 -3.0713 -3.0713 -3.0624 -3.0624 -3.0350 -3.0350 -2.9888 -2.9888 -2.9629 -2.9629 0.4438 0.4438 0.4594 0.4594 2.2377 2.2377 3.0907 3.0907 3.1239 3.1239 3.1715 3.1715 3.3703 3.3703 4.2751 4.2751 4.4006 4.4006 4.6206 4.6206 5.1572 5.1572 5.1847 5.1847 5.2361 5.2361 5.5943 5.5943 5.6493 5.6493 7.9339 7.9339 8.3663 8.3663 8.4730 8.4730 8.5564 8.5564 8.9806 8.9806 9.4557 9.4557 9.4670 9.4670 9.6409 9.6409 k = 0.3571-0.2525 0.4374 ( 7708 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0717 -26.0717 -26.0716 -26.0716 -5.7105 -5.7105 -5.5161 -5.5161 -5.4840 -5.4840 -5.3969 -5.3969 -5.2875 -5.2875 -5.2727 -5.2727 -5.2334 -5.2334 -5.1799 -5.1799 -5.0571 -5.0571 -4.9504 -4.9504 -3.1930 -3.1930 -3.1288 -3.1288 -3.1210 -3.1210 -3.1013 -3.1013 -3.0715 -3.0715 -3.0638 -3.0638 -3.0333 -3.0333 -2.9896 -2.9896 -2.9637 -2.9637 0.4140 0.4140 0.4288 0.4288 2.2397 2.2397 3.0965 3.0965 3.1645 3.1645 3.1709 3.1709 3.3443 3.3443 4.2877 4.2877 4.4235 4.4235 4.6320 4.6320 5.1989 5.1989 5.2211 5.2211 5.2694 5.2694 5.5991 5.5991 5.6583 5.6583 7.8985 7.8985 8.3588 8.3588 8.4583 8.4583 8.5597 8.5597 8.9520 8.9520 9.4587 9.4587 9.4751 9.4751 9.6047 9.6047 k = 0.3690-0.2610 0.4520 ( 7700 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0716 -26.0716 -26.0716 -26.0716 -5.7021 -5.7021 -5.5112 -5.5112 -5.4815 -5.4815 -5.4016 -5.4016 -5.2869 -5.2869 -5.2742 -5.2742 -5.2259 -5.2259 -5.1799 -5.1799 -5.0612 -5.0612 -4.9597 -4.9597 -3.1947 -3.1947 -3.1283 -3.1283 -3.1202 -3.1202 -3.1039 -3.1039 -3.0717 -3.0717 -3.0652 -3.0652 -3.0314 -3.0314 -2.9905 -2.9905 -2.9645 -2.9645 0.3865 0.3865 0.4002 0.4002 2.2403 2.2403 3.1004 3.1004 3.1668 3.1668 3.2138 3.2138 3.3201 3.3201 4.2993 4.2993 4.4455 4.4455 4.6394 4.6394 5.2377 5.2377 5.2539 5.2539 5.3016 5.3016 5.6033 5.6033 5.6650 5.6650 7.8663 7.8663 8.3495 8.3495 8.4370 8.4370 8.5735 8.5735 8.9198 8.9198 9.4584 9.4584 9.4808 9.4808 9.5781 9.5781 k = 0.3810-0.2694 0.4666 ( 7696 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0716 -26.0716 -26.0716 -26.0716 -5.6947 -5.6947 -5.5063 -5.5063 -5.4794 -5.4794 -5.4063 -5.4063 -5.2865 -5.2865 -5.2756 -5.2756 -5.2187 -5.2187 -5.1786 -5.1786 -5.0650 -5.0650 -4.9693 -4.9693 -3.1963 -3.1963 -3.1279 -3.1279 -3.1194 -3.1194 -3.1063 -3.1063 -3.0719 -3.0719 -3.0664 -3.0664 -3.0295 -3.0295 -2.9915 -2.9915 -2.9653 -2.9653 0.3614 0.3614 0.3737 0.3737 2.2399 2.2399 3.1040 3.1040 3.1647 3.1647 3.2590 3.2590 3.3024 3.3024 4.3096 4.3096 4.4663 4.4663 4.6428 4.6428 5.2736 5.2736 5.2837 5.2837 5.3323 5.3323 5.6072 5.6072 5.6694 5.6694 7.8375 7.8375 8.3383 8.3383 8.4152 8.4152 8.5911 8.5911 8.8861 8.8861 9.4557 9.4557 9.4840 9.4840 9.5585 9.5585 k = 0.3929-0.2778 0.4811 ( 7704 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0717 -26.0717 -26.0716 -26.0716 -5.6880 -5.6880 -5.5013 -5.5013 -5.4777 -5.4777 -5.4111 -5.4111 -5.2860 -5.2860 -5.2769 -5.2769 -5.2124 -5.2124 -5.1754 -5.1754 -5.0684 -5.0684 -4.9794 -4.9794 -3.1978 -3.1978 -3.1275 -3.1275 -3.1187 -3.1187 -3.1084 -3.1084 -3.0721 -3.0721 -3.0676 -3.0676 -3.0275 -3.0275 -2.9927 -2.9927 -2.9661 -2.9661 0.3386 0.3386 0.3493 0.3493 2.2389 2.2389 3.1075 3.1075 3.1624 3.1624 3.2648 3.2648 3.3275 3.3275 4.3184 4.3184 4.4859 4.4859 4.6421 4.6421 5.3064 5.3064 5.3110 5.3110 5.3607 5.3607 5.6113 5.6113 5.6715 5.6715 7.8119 7.8119 8.3258 8.3258 8.3948 8.3948 8.6098 8.6098 8.8529 8.8529 9.4515 9.4515 9.4850 9.4850 9.5432 9.5432 k = 0.4048-0.2862 0.4957 ( 7696 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0716 -26.0716 -26.0716 -26.0716 -5.6821 -5.6821 -5.4964 -5.4964 -5.4762 -5.4762 -5.4156 -5.4156 -5.2857 -5.2856 -5.2781 -5.2781 -5.2075 -5.2075 -5.1701 -5.1701 -5.0716 -5.0716 -4.9898 -4.9898 -3.1993 -3.1993 -3.1271 -3.1271 -3.1182 -3.1182 -3.1101 -3.1101 -3.0723 -3.0723 -3.0687 -3.0687 -3.0254 -3.0254 -2.9939 -2.9939 -2.9667 -2.9667 0.3183 0.3183 0.3272 0.3272 2.2376 2.2376 3.1111 3.1111 3.1597 3.1597 3.2477 3.2477 3.3784 3.3784 4.3254 4.3254 4.5040 4.5040 4.6378 4.6378 5.3352 5.3352 5.3369 5.3369 5.3863 5.3863 5.6155 5.6155 5.6715 5.6715 7.7895 7.7895 8.3127 8.3127 8.3762 8.3762 8.6283 8.6283 8.8221 8.8221 9.4465 9.4465 9.4839 9.4839 9.5302 9.5302 k = 0.4167-0.2946 0.5103 ( 7708 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0717 -26.0717 -26.0716 -26.0716 -5.6771 -5.6771 -5.4921 -5.4921 -5.4747 -5.4747 -5.4200 -5.4200 -5.2853 -5.2853 -5.2793 -5.2793 -5.2040 -5.2040 -5.1626 -5.1626 -5.0743 -5.0743 -5.0006 -5.0006 -3.2006 -3.2006 -3.1267 -3.1267 -3.1181 -3.1181 -3.1112 -3.1111 -3.0726 -3.0726 -3.0697 -3.0697 -3.0232 -3.0232 -2.9952 -2.9952 -2.9674 -2.9674 0.3003 0.3003 0.3075 0.3075 2.2362 2.2362 3.1145 3.1145 3.1565 3.1565 3.2310 3.2310 3.4311 3.4311 4.3303 4.3303 4.5205 4.5205 4.6303 4.6303 5.3584 5.3584 5.3633 5.3633 5.4088 5.4088 5.6201 5.6201 5.6697 5.6697 7.7701 7.7701 8.3000 8.3000 8.3591 8.3591 8.6459 8.6459 8.7947 8.7947 9.4413 9.4413 9.4811 9.4811 9.5183 9.5183 k = 0.4286-0.3030 0.5249 ( 7696 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0716 -26.0716 -26.0716 -26.0716 -5.6727 -5.6727 -5.4887 -5.4887 -5.4727 -5.4727 -5.4242 -5.4242 -5.2850 -5.2850 -5.2804 -5.2804 -5.2018 -5.2018 -5.1534 -5.1534 -5.0768 -5.0768 -5.0117 -5.0117 -3.2018 -3.2018 -3.1263 -3.1263 -3.1186 -3.1186 -3.1115 -3.1115 -3.0729 -3.0729 -3.0707 -3.0707 -3.0210 -3.0210 -2.9967 -2.9967 -2.9679 -2.9679 0.2846 0.2846 0.2903 0.2903 2.2349 2.2349 3.1177 3.1177 3.1524 3.1524 3.2168 3.2168 3.4826 3.4826 4.3328 4.3328 4.5352 4.5352 4.6208 4.6208 5.3791 5.3791 5.3870 5.3870 5.4281 5.4281 5.6248 5.6248 5.6664 5.6664 7.7536 7.7536 8.2888 8.2888 8.3432 8.3432 8.6621 8.6621 8.7713 8.7713 9.4364 9.4364 9.4772 9.4772 9.5070 9.5070 k = 0.4405-0.3115 0.5395 ( 7696 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0716 -26.0716 -26.0716 -26.0716 -5.6690 -5.6690 -5.4865 -5.4865 -5.4698 -5.4698 -5.4283 -5.4283 -5.2848 -5.2848 -5.2814 -5.2814 -5.2002 -5.2002 -5.1430 -5.1430 -5.0789 -5.0789 -5.0231 -5.0231 -3.2028 -3.2028 -3.1260 -3.1260 -3.1194 -3.1194 -3.1113 -3.1113 -3.0731 -3.0731 -3.0715 -3.0715 -3.0188 -3.0188 -2.9983 -2.9983 -2.9683 -2.9683 0.2714 0.2714 0.2755 0.2755 2.2337 2.2337 3.1207 3.1207 3.1475 3.1475 3.2057 3.2057 3.5311 3.5311 4.3329 4.3329 4.5479 4.5479 4.6102 4.6102 5.3974 5.3974 5.4079 5.4079 5.4439 5.4439 5.6295 5.6295 5.6620 5.6620 7.7397 7.7397 8.2796 8.2796 8.3284 8.3284 8.6764 8.6764 8.7520 8.7520 9.4320 9.4320 9.4726 9.4726 9.4962 9.4962 k = 0.4524-0.3199 0.5541 ( 7696 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0716 -26.0716 -26.0716 -26.0716 -5.6660 -5.6660 -5.4855 -5.4855 -5.4661 -5.4661 -5.4323 -5.4323 -5.2846 -5.2846 -5.2823 -5.2823 -5.1992 -5.1992 -5.1318 -5.1318 -5.0806 -5.0806 -5.0348 -5.0348 -3.2037 -3.2037 -3.1256 -3.1256 -3.1204 -3.1204 -3.1108 -3.1108 -3.0734 -3.0734 -3.0723 -3.0723 -3.0166 -3.0166 -3.0000 -3.0000 -2.9687 -2.9687 0.2606 0.2606 0.2633 0.2633 2.2326 2.2326 3.1233 3.1233 3.1421 3.1421 3.1977 3.1977 3.5750 3.5750 4.3307 4.3307 4.5585 4.5585 4.5998 4.5998 5.4129 5.4129 5.4261 5.4261 5.4562 5.4562 5.6340 5.6340 5.6570 5.6570 7.7284 7.7284 8.2731 8.2731 8.3147 8.3147 8.6885 8.6885 8.7368 8.7368 9.4285 9.4285 9.4679 9.4679 9.4861 9.4861 k = 0.4643-0.3283 0.5686 ( 7696 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0717 -26.0717 -26.0716 -26.0716 -5.6637 -5.6637 -5.4852 -5.4852 -5.4619 -5.4619 -5.4363 -5.4363 -5.2844 -5.2844 -5.2830 -5.2830 -5.1984 -5.1984 -5.1200 -5.1200 -5.0819 -5.0819 -5.0467 -5.0467 -3.2044 -3.2044 -3.1252 -3.1252 -3.1214 -3.1214 -3.1103 -3.1103 -3.0736 -3.0736 -3.0729 -3.0729 -3.0143 -3.0143 -3.0018 -3.0018 -2.9690 -2.9690 0.2522 0.2522 0.2538 0.2538 2.2318 2.2318 3.1254 3.1254 3.1369 3.1369 3.1922 3.1922 3.6124 3.6124 4.3269 4.3269 4.5670 4.5670 4.5908 4.5908 5.4253 5.4253 5.4416 5.4416 5.4650 5.4650 5.6378 5.6378 5.6519 5.6519 7.7196 7.7196 8.2694 8.2694 8.3022 8.3022 8.6981 8.6981 8.7254 8.7254 9.4259 9.4259 9.4638 9.4638 9.4772 9.4772 k = 0.4762-0.3367 0.5832 ( 7712 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0717 -26.0717 -26.0717 -26.0717 -5.6621 -5.6621 -5.4852 -5.4852 -5.4575 -5.4575 -5.4403 -5.4403 -5.2843 -5.2843 -5.2835 -5.2835 -5.1979 -5.1979 -5.1080 -5.1080 -5.0829 -5.0829 -5.0588 -5.0588 -3.2049 -3.2049 -3.1248 -3.1248 -3.1223 -3.1223 -3.1099 -3.1099 -3.0738 -3.0738 -3.0734 -3.0734 -3.0121 -3.0121 -3.0037 -3.0037 -2.9692 -2.9692 0.2462 0.2462 0.2470 0.2470 2.2312 2.2312 3.1270 3.1270 3.1325 3.1325 3.1888 3.1888 3.6411 3.6411 4.3226 4.3226 4.5730 4.5730 4.5838 4.5838 5.4343 5.4343 5.4542 5.4542 5.4702 5.4702 5.6408 5.6408 5.6476 5.6476 7.7133 7.7133 8.2686 8.2686 8.2913 8.2913 8.7052 8.7052 8.7175 8.7175 9.4242 9.4242 9.4609 9.4609 9.4697 9.4697 k = 0.4881-0.3451 0.5978 ( 7712 PWs) bands (ev): -61.9315 -61.9315 -34.7879 -34.7879 -26.0717 -26.0717 -26.0717 -26.0717 -5.6611 -5.6611 -5.4853 -5.4853 -5.4530 -5.4530 -5.4444 -5.4444 -5.2842 -5.2842 -5.2839 -5.2839 -5.1977 -5.1977 -5.0957 -5.0957 -5.0835 -5.0835 -5.0710 -5.0710 -3.2052 -3.2052 -3.1243 -3.1243 -3.1231 -3.1231 -3.1096 -3.1096 -3.0739 -3.0739 -3.0737 -3.0737 -3.0099 -3.0099 -3.0057 -3.0057 -2.9693 -2.9693 0.2426 0.2426 0.2429 0.2429 2.2309 2.2309 3.1280 3.1280 3.1296 3.1296 3.1870 3.1870 3.6593 3.6593 4.3192 4.3192 4.5767 4.5767 4.5794 4.5794 5.4397 5.4397 5.4636 5.4636 5.4717 5.4717 5.6427 5.6427 5.6446 5.6446 7.7095 7.7095 8.2706 8.2706 8.2822 8.2822 8.7095 8.7095 8.7129 8.7129 9.4233 9.4233 9.4597 9.4597 9.4641 9.4641 k = 0.5000-0.3536 0.6124 ( 7712 PWs) bands (ev): -61.9315 -61.9315 -34.7879 -34.7879 -26.0717 -26.0717 -26.0717 -26.0717 -5.6607 -5.6607 -5.4854 -5.4854 -5.4487 -5.4487 -5.4487 -5.4487 -5.2841 -5.2841 -5.2841 -5.2841 -5.1976 -5.1976 -5.0841 -5.0841 -5.0841 -5.0841 -5.0823 -5.0823 -3.2053 -3.2053 -3.1237 -3.1237 -3.1237 -3.1237 -3.1095 -3.1095 -3.0739 -3.0739 -3.0739 -3.0739 -3.0078 -3.0078 -3.0078 -3.0078 -2.9693 -2.9693 0.2414 0.2414 0.2414 0.2414 2.2307 2.2307 3.1285 3.1285 3.1285 3.1285 3.1864 3.1864 3.6656 3.6656 4.3179 4.3179 4.5780 4.5780 4.5780 4.5780 5.4416 5.4416 5.4695 5.4695 5.4695 5.4695 5.6434 5.6434 5.6434 5.6434 7.7082 7.7082 8.2752 8.2752 8.2752 8.2752 8.7111 8.7111 8.7111 8.7111 9.4231 9.4231 9.4608 9.4608 9.4608 9.4608 k = 0.5000-0.3536 0.6124 ( 7712 PWs) bands (ev): -61.9315 -61.9315 -34.7879 -34.7879 -26.0717 -26.0717 -26.0717 -26.0717 -5.6607 -5.6607 -5.4854 -5.4854 -5.4487 -5.4487 -5.4487 -5.4487 -5.2841 -5.2841 -5.2841 -5.2841 -5.1976 -5.1976 -5.0841 -5.0841 -5.0841 -5.0841 -5.0823 -5.0823 -3.2053 -3.2053 -3.1237 -3.1237 -3.1237 -3.1237 -3.1095 -3.1095 -3.0739 -3.0739 -3.0739 -3.0739 -3.0078 -3.0078 -3.0078 -3.0078 -2.9693 -2.9693 0.2414 0.2414 0.2414 0.2414 2.2307 2.2307 3.1285 3.1285 3.1285 3.1285 3.1864 3.1864 3.6656 3.6656 4.3179 4.3179 4.5780 4.5780 4.5780 4.5780 5.4416 5.4416 5.4695 5.4695 5.4695 5.4695 5.6434 5.6434 5.6434 5.6434 7.7082 7.7082 8.2752 8.2752 8.2752 8.2752 8.7111 8.7111 8.7111 8.7111 9.4231 9.4231 9.4608 9.4608 9.4608 9.4608 k = 0.4833-0.3418 0.6124 ( 7712 PWs) bands (ev): -61.9315 -61.9315 -34.7879 -34.7879 -26.0717 -26.0717 -26.0717 -26.0717 -5.6611 -5.6611 -5.4853 -5.4853 -5.4546 -5.4502 -5.4471 -5.4430 -5.2843 -5.2841 -5.2840 -5.2838 -5.1977 -5.1976 -5.0957 -5.0927 -5.0912 -5.0767 -5.0733 -5.0710 -3.2052 -3.2052 -3.1245 -3.1239 -3.1235 -3.1228 -3.1096 -3.1096 -3.0739 -3.0738 -3.0737 -3.0737 -3.0107 -3.0086 -3.0071 -3.0050 -2.9693 -2.9693 0.2425 0.2427 0.2427 0.2429 2.2308 2.2308 3.1279 3.1288 3.1290 3.1295 3.1869 3.1870 3.6594 3.6595 4.3191 4.3193 4.5766 4.5769 4.5794 4.5794 5.4397 5.4398 5.4614 5.4672 5.4700 5.4724 5.6429 5.6434 5.6438 5.6445 7.7094 7.7095 8.2683 8.2744 8.2788 8.2840 8.7096 8.7111 8.7113 8.7128 9.4232 9.4234 9.4591 9.4610 9.4624 9.4651 k = 0.4667-0.3300 0.6124 ( 7712 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0717 -26.0717 -26.0717 -26.0717 -5.6620 -5.6620 -5.4852 -5.4851 -5.4608 -5.4516 -5.4455 -5.4376 -5.2843 -5.2840 -5.2839 -5.2834 -5.1980 -5.1979 -5.1078 -5.1019 -5.0982 -5.0692 -5.0634 -5.0589 -3.2049 -3.2049 -3.1251 -3.1240 -3.1233 -3.1217 -3.1099 -3.1099 -3.0740 -3.0738 -3.0734 -3.0732 -3.0136 -3.0095 -3.0064 -3.0022 -2.9692 -2.9692 0.2461 0.2465 0.2465 0.2469 2.2312 2.2312 3.1272 3.1289 3.1310 3.1317 3.1885 3.1889 3.6415 3.6420 4.3218 4.3232 4.5727 4.5735 4.5834 4.5841 5.4337 5.4343 5.4485 5.4632 5.4682 5.4700 5.6420 5.6430 5.6455 5.6465 7.7129 7.7134 8.2634 8.2760 8.2856 8.2943 8.7067 8.7098 8.7130 8.7158 9.4236 9.4248 9.4600 9.4634 9.4653 9.4723 k = 0.4500-0.3182 0.6124 ( 7696 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0717 -26.0717 -26.0716 -26.0716 -5.6637 -5.6635 -5.4851 -5.4849 -5.4672 -5.4529 -5.4439 -5.4327 -5.2844 -5.2838 -5.2838 -5.2828 -5.1988 -5.1982 -5.1194 -5.1108 -5.1050 -5.0617 -5.0534 -5.0470 -3.2044 -3.2044 -3.1256 -3.1240 -3.1231 -3.1205 -3.1104 -3.1102 -3.0741 -3.0738 -3.0728 -3.0724 -3.0165 -3.0104 -3.0059 -2.9995 -2.9691 -2.9689 0.2521 0.2527 0.2529 0.2535 2.2317 2.2317 3.1261 3.1284 3.1344 3.1349 3.1910 3.1925 3.6134 3.6148 4.3245 4.3287 4.5664 4.5677 4.5897 4.5924 5.4220 5.4247 5.4327 5.4582 5.4629 5.4643 5.6411 5.6426 5.6484 5.6490 7.7185 7.7201 8.2605 8.2798 8.2959 8.3057 8.7024 8.7069 8.7165 8.7204 9.4240 9.4278 9.4631 9.4679 9.4689 9.4822 k = 0.4333-0.3064 0.6124 ( 7698 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0716 -26.0716 -26.0716 -26.0716 -5.6659 -5.6656 -5.4852 -5.4846 -5.4738 -5.4539 -5.4424 -5.4282 -5.2844 -5.2837 -5.2835 -5.2819 -5.2002 -5.1987 -5.1303 -5.1193 -5.1116 -5.0542 -5.0434 -5.0355 -3.2037 -3.2037 -3.1259 -3.1239 -3.1230 -3.1191 -3.1111 -3.1106 -3.0743 -3.0739 -3.0721 -3.0713 -3.0194 -3.0114 -3.0054 -2.9969 -2.9689 -2.9686 0.2605 0.2612 0.2618 0.2626 2.2323 2.2324 3.1243 3.1267 3.1387 3.1389 3.1944 3.1980 3.5775 3.5805 4.3255 4.3345 4.5576 4.5594 4.5980 4.6042 5.4023 5.4103 5.4163 5.4518 5.4523 5.4583 5.6410 5.6426 5.6513 5.6516 7.7260 7.7296 8.2593 8.2861 8.3092 8.3183 8.6965 8.7022 8.7221 8.7267 9.4245 9.4328 9.4682 9.4725 9.4743 9.4946 k = 0.4167-0.2946 0.6124 ( 7706 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0717 -26.0717 -26.0716 -26.0716 -5.6687 -5.6682 -5.4855 -5.4842 -5.4804 -5.4546 -5.4409 -5.4241 -5.2844 -5.2837 -5.2832 -5.2809 -5.2025 -5.1992 -5.1399 -5.1274 -5.1178 -5.0467 -5.0334 -5.0244 -3.2029 -3.2028 -3.1262 -3.1236 -3.1231 -3.1175 -3.1119 -3.1109 -3.0744 -3.0739 -3.0715 -3.0699 -3.0222 -3.0125 -3.0050 -2.9944 -2.9688 -2.9681 0.2713 0.2722 0.2732 0.2742 2.2329 2.2332 3.1211 3.1229 3.1427 3.1440 3.1990 3.2055 3.5369 3.5420 4.3237 4.3390 4.5463 4.5487 4.6082 4.6190 5.3767 5.3909 5.3977 5.4364 5.4457 5.4511 5.6419 5.6430 5.6533 5.6548 7.7353 7.7417 8.2594 8.2952 8.3220 8.3352 8.6889 8.6954 8.7302 8.7349 9.4250 9.4400 9.4748 9.4757 9.4824 9.5091 k = 0.4000-0.2828 0.6124 ( 7698 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0716 -26.0716 -26.0716 -26.0716 -5.6720 -5.6712 -5.4873 -5.4861 -5.4840 -5.4548 -5.4396 -5.4206 -5.2843 -5.2836 -5.2827 -5.2795 -5.2061 -5.1998 -5.1477 -5.1351 -5.1236 -5.0393 -5.0235 -5.0138 -3.2019 -3.2017 -3.1264 -3.1232 -3.1231 -3.1159 -3.1127 -3.1111 -3.0746 -3.0741 -3.0708 -3.0684 -3.0250 -3.0136 -3.0047 -2.9920 -2.9686 -2.9675 0.2845 0.2856 0.2870 0.2882 2.2335 2.2340 3.1151 3.1155 3.1468 3.1489 3.2051 3.2153 3.4951 3.5026 4.3186 4.3412 4.5324 4.5356 4.6199 4.6361 5.3470 5.3666 5.3758 5.4170 5.4385 5.4433 5.6435 5.6441 5.6554 5.6576 7.7461 7.7562 8.2600 8.3079 8.3314 8.3587 8.6797 8.6861 8.7410 8.7453 9.4253 9.4491 9.4785 9.4821 9.4925 9.5254 k = 0.3833-0.2711 0.6124 ( 7700 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0716 -26.0716 -26.0716 -26.0716 -5.6758 -5.6746 -5.4940 -5.4872 -5.4838 -5.4545 -5.4384 -5.4176 -5.2842 -5.2837 -5.2822 -5.2780 -5.2112 -5.2006 -5.1533 -5.1422 -5.1291 -5.0319 -5.0137 -5.0038 -3.2007 -3.2004 -3.1266 -3.1235 -3.1224 -3.1143 -3.1137 -3.1109 -3.0748 -3.0742 -3.0702 -3.0666 -3.0278 -3.0147 -3.0045 -2.9897 -2.9685 -2.9669 0.3000 0.3013 0.3031 0.3045 2.2338 2.2345 3.1027 3.1042 3.1510 3.1529 3.2134 3.2272 3.4560 3.4659 4.3101 4.3400 4.5159 4.5201 4.6328 4.6546 5.3139 5.3378 5.3508 5.3939 5.4308 5.4350 5.6426 5.6470 5.6587 5.6602 7.7584 7.7725 8.2608 8.3245 8.3379 8.3880 8.6688 8.6742 8.7549 8.7582 9.4251 9.4588 9.4817 9.4895 9.5047 9.5428 k = 0.3667-0.2593 0.6124 ( 7706 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0717 -26.0717 -26.0716 -26.0716 -5.6800 -5.6783 -5.5007 -5.4888 -5.4838 -5.4537 -5.4375 -5.4152 -5.2840 -5.2838 -5.2817 -5.2762 -5.2178 -5.2013 -5.1566 -5.1489 -5.1341 -5.0247 -5.0041 -4.9944 -3.1994 -3.1990 -3.1266 -3.1239 -3.1215 -3.1146 -3.1131 -3.1102 -3.0750 -3.0744 -3.0698 -3.0647 -3.0305 -3.0159 -3.0044 -2.9877 -2.9684 -2.9661 0.3178 0.3192 0.3214 0.3231 2.2337 2.2347 3.0823 3.0853 3.1551 3.1557 3.2246 3.2407 3.4237 3.4355 4.2984 4.3353 4.4969 4.5023 4.6464 4.6736 5.2778 5.3051 5.3233 5.3676 5.4227 5.4262 5.6395 5.6488 5.6637 5.6638 7.7718 7.7900 8.2615 8.3414 8.3457 8.4224 8.6561 8.6595 8.7718 8.7740 9.4244 9.4660 9.4880 9.4963 9.5187 9.5607 k = 0.3500-0.2475 0.6124 ( 7700 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0716 -26.0716 -26.0716 -26.0716 -5.6845 -5.6823 -5.5074 -5.4907 -5.4839 -5.4525 -5.4369 -5.4134 -5.2840 -5.2838 -5.2811 -5.2742 -5.2254 -5.2021 -5.1578 -5.1550 -5.1387 -5.0176 -4.9948 -4.9857 -3.1979 -3.1974 -3.1265 -3.1242 -3.1205 -3.1156 -3.1124 -3.1085 -3.0751 -3.0747 -3.0695 -3.0627 -3.0331 -3.0170 -3.0043 -2.9857 -2.9684 -2.9653 0.3379 0.3395 0.3418 0.3438 2.2327 2.2341 3.0532 3.0562 3.1578 3.1593 3.2388 3.2553 3.4010 3.4145 4.2836 4.3266 4.4753 4.4821 4.6603 4.6924 5.2390 5.2689 5.2941 5.3390 5.4141 5.4171 5.6341 5.6477 5.6700 5.6703 7.7862 7.8079 8.2620 8.3421 8.3718 8.4617 8.6419 8.6420 8.7918 8.7928 9.4229 9.4680 9.4995 9.5023 9.5342 9.5784 k = 0.3333-0.2357 0.6124 ( 7686 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0716 -26.0716 -26.0716 -26.0716 -5.6893 -5.6864 -5.5140 -5.4929 -5.4843 -5.4510 -5.4369 -5.4122 -5.2843 -5.2836 -5.2806 -5.2721 -5.2334 -5.2030 -5.1607 -5.1574 -5.1427 -5.0107 -4.9858 -4.9777 -3.1963 -3.1956 -3.1263 -3.1245 -3.1194 -3.1165 -3.1121 -3.1065 -3.0753 -3.0749 -3.0694 -3.0606 -3.0357 -3.0181 -3.0043 -2.9840 -2.9683 -2.9644 0.3602 0.3619 0.3642 0.3664 2.2306 2.2325 3.0154 3.0170 3.1596 3.1635 3.2558 3.2705 3.3888 3.4044 4.2660 4.3139 4.4512 4.4598 4.6742 4.7106 5.1976 5.2298 5.2642 5.3090 5.4051 5.4076 5.6264 5.6435 5.6782 5.6783 7.8012 7.8257 8.2621 8.3400 8.4029 8.5052 8.6219 8.6263 8.8148 8.8152 9.4208 9.4666 9.5073 9.5139 9.5510 9.5954 k = 0.3167-0.2239 0.6124 ( 7714 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0717 -26.0717 -26.0716 -26.0716 -5.6943 -5.6908 -5.5204 -5.4953 -5.4848 -5.4493 -5.4374 -5.4114 -5.2848 -5.2835 -5.2801 -5.2700 -5.2413 -5.2038 -5.1659 -5.1561 -5.1458 -5.0040 -4.9772 -4.9704 -3.1946 -3.1937 -3.1261 -3.1247 -3.1184 -3.1170 -3.1119 -3.1043 -3.0755 -3.0752 -3.0694 -3.0585 -3.0381 -3.0191 -3.0044 -2.9824 -2.9684 -2.9635 0.3846 0.3865 0.3885 0.3908 2.2268 2.2291 2.9700 2.9709 3.1615 3.1678 3.2751 3.2855 3.3856 3.4048 4.2456 4.2972 4.4248 4.4355 4.6876 4.7277 5.1541 5.1882 5.2342 5.2784 5.3958 5.3979 5.6165 5.6365 5.6873 5.6878 7.8164 7.8426 8.2617 8.3353 8.4387 8.5517 8.5994 8.6105 8.8404 8.8412 9.4182 9.4637 9.5111 9.5289 9.5686 9.6114 k = 0.3000-0.2121 0.6124 ( 7718 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0717 -26.0717 -26.0716 -26.0716 -5.6994 -5.6953 -5.5266 -5.4978 -5.4856 -5.4475 -5.4387 -5.4112 -5.2855 -5.2833 -5.2795 -5.2678 -5.2485 -5.2046 -5.1705 -5.1553 -5.1469 -4.9975 -4.9690 -4.9639 -3.1928 -3.1917 -3.1258 -3.1247 -3.1185 -3.1162 -3.1117 -3.1020 -3.0757 -3.0756 -3.0697 -3.0565 -3.0404 -3.0201 -3.0046 -2.9811 -2.9685 -2.9627 0.4111 0.4131 0.4144 0.4170 2.2205 2.2233 2.9188 2.9224 3.1636 3.1723 3.2965 3.3003 3.3896 3.4143 4.2225 4.2766 4.3964 4.4093 4.7004 4.7436 5.1087 5.1447 5.2050 5.2481 5.3862 5.3878 5.6043 5.6270 5.6970 5.6984 7.8315 7.8582 8.2608 8.3283 8.4790 8.5748 8.5816 8.6135 8.8684 8.8712 9.4152 9.4601 9.5142 9.5433 9.5867 9.6265 k = 0.2833-0.2003 0.6124 ( 7702 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0716 -26.0716 -26.0716 -26.0716 -5.7046 -5.6998 -5.5325 -5.5003 -5.4866 -5.4456 -5.4407 -5.4114 -5.2864 -5.2831 -5.2790 -5.2657 -5.2548 -5.2053 -5.1748 -5.1565 -5.1445 -4.9913 -4.9612 -4.9582 -3.1909 -3.1897 -3.1256 -3.1245 -3.1190 -3.1147 -3.1116 -3.0997 -3.0759 -3.0759 -3.0701 -3.0544 -3.0426 -3.0209 -3.0048 -2.9799 -2.9687 -2.9619 0.4393 0.4415 0.4420 0.4447 2.2110 2.2143 2.8665 2.8728 3.1660 3.1767 3.3151 3.3195 3.3989 3.4308 4.1967 4.2521 4.3664 4.3816 4.7123 4.7578 5.0621 5.0999 5.1772 5.2186 5.3764 5.3776 5.5899 5.6149 5.7074 5.7095 7.8461 7.8723 8.2594 8.3193 8.5228 8.5489 8.5668 8.6631 8.8983 8.9052 9.4120 9.4562 9.5171 9.5564 9.6050 9.6410 k = 0.2667-0.1886 0.6124 ( 7706 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0716 -26.0716 -26.0716 -26.0716 -5.7098 -5.7045 -5.5380 -5.5028 -5.4879 -5.4438 -5.4434 -5.4121 -5.2876 -5.2831 -5.2785 -5.2636 -5.2599 -5.2059 -5.1786 -5.1586 -5.1398 -4.9854 -4.9539 -4.9532 -3.1889 -3.1876 -3.1254 -3.1241 -3.1193 -3.1130 -3.1115 -3.0974 -3.0763 -3.0761 -3.0706 -3.0526 -3.0444 -3.0216 -3.0050 -2.9790 -2.9689 -2.9612 0.4685 0.4711 0.4717 0.4745 2.1972 2.2008 2.8162 2.8248 3.1685 3.1812 3.3301 3.3439 3.4125 3.4527 4.1683 4.2239 4.3351 4.3525 4.7228 4.7699 5.0152 5.0546 5.1512 5.1905 5.3664 5.3673 5.5734 5.6004 5.7182 5.7211 7.8600 7.8846 8.2574 8.3086 8.5206 8.5468 8.5705 8.7191 8.9297 8.9430 9.4087 9.4524 9.5207 9.5682 9.6231 9.6553 k = 0.2500-0.1768 0.6124 ( 7726 PWs) bands (ev): -61.9315 -61.9315 -34.7879 -34.7879 -26.0717 -26.0717 -26.0717 -26.0717 -5.7150 -5.7091 -5.5432 -5.5051 -5.4895 -5.4469 -5.4420 -5.4131 -5.2891 -5.2831 -5.2780 -5.2637 -5.2617 -5.2064 -5.1821 -5.1609 -5.1339 -4.9798 -4.9490 -4.9471 -3.1868 -3.1855 -3.1255 -3.1235 -3.1193 -3.1115 -3.1113 -3.0953 -3.0767 -3.0763 -3.0712 -3.0514 -3.0456 -3.0220 -3.0054 -2.9783 -2.9691 -2.9607 0.4981 0.5010 0.5039 0.5066 2.1781 2.1817 2.7700 2.7805 3.1711 3.1857 3.3458 3.3693 3.4296 3.4786 4.1372 4.1924 4.3031 4.3223 4.7312 4.7788 4.9695 5.0101 5.1273 5.1643 5.3563 5.3569 5.5549 5.5835 5.7293 5.7328 7.8727 7.8951 8.2551 8.2968 8.4923 8.5258 8.6194 8.7771 8.9620 8.9842 9.4054 9.4487 9.5262 9.5791 9.6409 9.6699 k = 0.2333-0.1650 0.6124 ( 7720 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0717 -26.0717 -26.0717 -26.0717 -5.7201 -5.7138 -5.5480 -5.5073 -5.4914 -5.4511 -5.4403 -5.4144 -5.2907 -5.2833 -5.2776 -5.2664 -5.2598 -5.2067 -5.1852 -5.1630 -5.1271 -4.9746 -4.9455 -4.9408 -3.1847 -3.1834 -3.1257 -3.1227 -3.1189 -3.1116 -3.1095 -3.0933 -3.0771 -3.0766 -3.0718 -3.0516 -3.0454 -3.0222 -3.0058 -2.9778 -2.9694 -2.9603 0.5281 0.5312 0.5382 0.5410 2.1527 2.1561 2.7300 2.7417 3.1738 3.1901 3.3624 3.3952 3.4497 3.5074 4.1038 4.1580 4.2708 4.2910 4.7363 4.7813 4.9286 4.9680 5.1057 5.1401 5.3462 5.3466 5.5346 5.5643 5.7405 5.7446 7.8841 7.9039 8.2523 8.2840 8.4636 8.5042 8.6695 8.8357 8.9945 9.0279 9.4023 9.4455 9.5345 9.5902 9.6582 9.6849 k = 0.2167-0.1532 0.6124 ( 7732 PWs) bands (ev): -61.9315 -61.9315 -34.7879 -34.7879 -26.0717 -26.0717 -26.0717 -26.0717 -5.7250 -5.7184 -5.5523 -5.5093 -5.4937 -5.4559 -5.4388 -5.4160 -5.2922 -5.2835 -5.2771 -5.2682 -5.2579 -5.2070 -5.1880 -5.1650 -5.1195 -4.9699 -4.9426 -4.9351 -3.1826 -3.1813 -3.1261 -3.1216 -3.1182 -3.1117 -3.1077 -3.0915 -3.0775 -3.0770 -3.0724 -3.0529 -3.0440 -3.0221 -3.0063 -2.9776 -2.9697 -2.9601 0.5584 0.5617 0.5742 0.5772 2.1206 2.1234 2.6973 2.7096 3.1766 3.1944 3.3800 3.4214 3.4727 3.5383 4.0684 4.1212 4.2386 4.2589 4.7356 4.7715 4.8991 4.9312 5.0866 5.1182 5.3361 5.3364 5.5126 5.5431 5.7516 5.7562 7.8938 7.9108 8.2491 8.2706 8.4350 8.4825 8.7201 8.8940 9.0264 9.0726 9.4000 9.4435 9.5467 9.6027 9.6750 9.7003 k = 0.2000-0.1414 0.6124 ( 7736 PWs) bands (ev): -61.9315 -61.9315 -34.7879 -34.7879 -26.0717 -26.0717 -26.0717 -26.0717 -5.7297 -5.7229 -5.5560 -5.5110 -5.4963 -5.4610 -5.4374 -5.4177 -5.2935 -5.2839 -5.2766 -5.2694 -5.2561 -5.2072 -5.1903 -5.1669 -5.1113 -4.9658 -4.9401 -4.9299 -3.1804 -3.1793 -3.1265 -3.1204 -3.1172 -3.1119 -3.1059 -3.0899 -3.0779 -3.0774 -3.0729 -3.0546 -3.0422 -3.0217 -3.0068 -2.9775 -2.9700 -2.9600 0.5887 0.5921 0.6119 0.6150 2.0819 2.0838 2.6721 2.6845 3.1794 3.1986 3.3986 3.4476 3.4982 3.5709 4.0315 4.0828 4.2066 4.2261 4.7257 4.7442 4.8865 4.9036 5.0698 5.0986 5.3263 5.3265 5.4891 5.5201 5.7626 5.7676 7.9019 7.9161 8.2457 8.2569 8.4069 8.4609 8.7708 8.9511 9.0570 9.1159 9.3991 9.4439 9.5631 9.6178 9.6912 9.7160 k = 0.1833-0.1296 0.6124 ( 7756 PWs) bands (ev): -61.9315 -61.9315 -34.7879 -34.7879 -26.0717 -26.0717 -26.0717 -26.0717 -5.7342 -5.7273 -5.5592 -5.5125 -5.4995 -5.4663 -5.4362 -5.4194 -5.2946 -5.2844 -5.2762 -5.2700 -5.2544 -5.2075 -5.1923 -5.1686 -5.1027 -4.9626 -4.9379 -4.9253 -3.1783 -3.1774 -3.1270 -3.1191 -3.1161 -3.1122 -3.1041 -3.0886 -3.0782 -3.0781 -3.0732 -3.0564 -3.0402 -3.0210 -3.0075 -2.9777 -2.9703 -2.9602 0.6187 0.6221 0.6511 0.6543 2.0372 2.0379 2.6541 2.6660 3.1822 3.2025 3.4184 3.4739 3.5258 3.6046 3.9937 4.0435 4.1750 4.1927 4.7038 4.7039 4.8870 4.8882 5.0554 5.0813 5.3166 5.3169 5.4645 5.4956 5.7734 5.7786 7.9082 7.9197 8.2420 8.2432 8.3799 8.4398 8.8213 9.0055 9.0859 9.1544 9.4005 9.4488 9.5837 9.6357 9.7068 9.7323 k = 0.1667-0.1179 0.6124 ( 7756 PWs) bands (ev): -61.9315 -61.9315 -34.7879 -34.7879 -26.0717 -26.0717 -26.0717 -26.0717 -5.7383 -5.7316 -5.5618 -5.5136 -5.5031 -5.4716 -5.4351 -5.4212 -5.2953 -5.2851 -5.2757 -5.2704 -5.2526 -5.2081 -5.1936 -5.1702 -5.0936 -4.9605 -4.9358 -4.9213 -3.1762 -3.1756 -3.1274 -3.1178 -3.1148 -3.1125 -3.1023 -3.0877 -3.0788 -3.0785 -3.0734 -3.0582 -3.0382 -3.0199 -3.0082 -2.9782 -2.9705 -2.9605 0.6480 0.6514 0.6915 0.6950 1.9872 1.9877 2.6423 2.6534 3.1850 3.2062 3.4393 3.5002 3.5549 3.6391 3.9559 4.0041 4.1439 4.1590 4.6574 4.6716 4.8841 4.8940 5.0433 5.0662 5.3072 5.3077 5.4391 5.4698 5.7837 5.7890 7.9128 7.9219 8.2298 8.2378 8.3546 8.4193 8.8715 9.0540 9.1154 9.1848 9.4047 9.4609 9.6081 9.6564 9.7219 9.7495 k = 0.1500-0.1061 0.6124 ( 7746 PWs) bands (ev): -61.9315 -61.9315 -34.7879 -34.7879 -26.0717 -26.0717 -26.0717 -26.0717 -5.7422 -5.7356 -5.5637 -5.5145 -5.5073 -5.4767 -5.4342 -5.4228 -5.2957 -5.2858 -5.2752 -5.2706 -5.2507 -5.2091 -5.1943 -5.1717 -5.0842 -4.9597 -4.9334 -4.9178 -3.1742 -3.1738 -3.1277 -3.1166 -3.1134 -3.1127 -3.1007 -3.0870 -3.0796 -3.0787 -3.0734 -3.0600 -3.0362 -3.0185 -3.0090 -2.9788 -2.9707 -2.9610 0.6763 0.6795 0.7330 0.7366 1.9330 1.9347 2.6353 2.6456 3.1878 3.2095 3.4612 3.5267 3.5848 3.6736 3.9190 3.9654 4.1134 4.1254 4.6090 4.6328 4.8877 4.9038 5.0333 5.0532 5.2982 5.2990 5.4133 5.4433 5.7935 5.7987 7.9158 7.9228 8.2170 8.2329 8.3317 8.3996 8.9213 9.0894 9.1520 9.2047 9.4115 9.4812 9.6353 9.6786 9.7365 9.7684 k = 0.1333-0.0943 0.6124 ( 7728 PWs) bands (ev): -61.9315 -61.9315 -34.7879 -34.7879 -26.0717 -26.0717 -26.0717 -26.0717 -5.7456 -5.7394 -5.5651 -5.5150 -5.5120 -5.4815 -5.4334 -5.4243 -5.2958 -5.2865 -5.2747 -5.2707 -5.2487 -5.2105 -5.1943 -5.1731 -5.0746 -4.9603 -4.9308 -4.9150 -3.1723 -3.1722 -3.1279 -3.1159 -3.1124 -3.1120 -3.0991 -3.0867 -3.0805 -3.0789 -3.0733 -3.0617 -3.0341 -3.0168 -3.0098 -2.9797 -2.9709 -2.9617 0.7031 0.7062 0.7753 0.7791 1.8770 1.8797 2.6321 2.6414 3.1906 3.2123 3.4841 3.5536 3.6146 3.7078 3.8838 3.9281 4.0837 4.0922 4.5606 4.5908 4.8957 4.9150 5.0255 5.0423 5.2896 5.2909 5.3875 5.4164 5.8027 5.8077 7.9174 7.9227 8.2049 8.2270 8.3120 8.3810 8.9704 9.1094 9.1983 9.2146 9.4202 9.5082 9.6642 9.7009 9.7509 9.7901 k = 0.1167-0.0825 0.6124 ( 7734 PWs) bands (ev): -61.9315 -61.9315 -34.7879 -34.7879 -26.0717 -26.0717 -26.0717 -26.0717 -5.7487 -5.7430 -5.5657 -5.5172 -5.5152 -5.4858 -5.4328 -5.4256 -5.2958 -5.2873 -5.2743 -5.2708 -5.2466 -5.2124 -5.1938 -5.1745 -5.0650 -4.9621 -4.9280 -4.9127 -3.1708 -3.1705 -3.1280 -3.1161 -3.1114 -3.1105 -3.0977 -3.0867 -3.0813 -3.0790 -3.0731 -3.0634 -3.0320 -3.0148 -3.0108 -2.9809 -2.9710 -2.9625 0.7280 0.7309 0.8179 0.8218 1.8205 1.8239 2.6316 2.6398 3.1934 3.2147 3.5080 3.5809 3.6434 3.7405 3.8512 3.8930 4.0551 4.0603 4.5133 4.5479 4.9062 4.9264 5.0198 5.0332 5.2815 5.2835 5.3623 5.3894 5.8111 5.8158 7.9179 7.9217 8.1940 8.2197 8.2961 8.3636 9.0182 9.1199 9.2176 9.2492 9.4290 9.5382 9.6932 9.7216 9.7655 9.8152 k = 0.1000-0.0707 0.6124 ( 7734 PWs) bands (ev): -61.9315 -61.9315 -34.7879 -34.7879 -26.0717 -26.0717 -26.0717 -26.0717 -5.7514 -5.7462 -5.5658 -5.5226 -5.5151 -5.4898 -5.4322 -5.4268 -5.2956 -5.2881 -5.2738 -5.2708 -5.2444 -5.2145 -5.1930 -5.1759 -5.0553 -4.9651 -4.9251 -4.9109 -3.1694 -3.1690 -3.1279 -3.1168 -3.1102 -3.1091 -3.0963 -3.0869 -3.0820 -3.0792 -3.0728 -3.0649 -3.0300 -3.0125 -3.0118 -2.9824 -2.9710 -2.9634 0.7507 0.7533 0.8603 0.8643 1.7648 1.7688 2.6328 2.6399 3.1962 3.2164 3.5328 3.6086 3.6696 3.7704 3.8222 3.8609 4.0283 4.0307 4.4683 4.5053 4.9180 4.9374 5.0164 5.0261 5.2736 5.2767 5.3384 5.3630 5.8187 5.8230 7.9174 7.9202 8.1843 8.2108 8.2846 8.3475 9.0633 9.1255 9.2179 9.3012 9.4358 9.5669 9.7207 9.7400 9.7812 9.8433 k = 0.0833-0.0589 0.6124 ( 7724 PWs) bands (ev): -61.9315 -61.9315 -34.7879 -34.7879 -26.0717 -26.0717 -26.0716 -26.0716 -5.7535 -5.7491 -5.5651 -5.5281 -5.5146 -5.4935 -5.4318 -5.4278 -5.2953 -5.2890 -5.2734 -5.2708 -5.2421 -5.2168 -5.1918 -5.1773 -5.0456 -4.9692 -4.9222 -4.9097 -3.1682 -3.1676 -3.1276 -3.1178 -3.1088 -3.1077 -3.0952 -3.0872 -3.0826 -3.0796 -3.0725 -3.0662 -3.0281 -3.0129 -3.0100 -2.9840 -2.9710 -2.9644 0.7707 0.7730 0.9017 0.9056 1.7116 1.7158 2.6350 2.6410 3.1991 3.2175 3.5583 3.6366 3.6915 3.7899 3.8029 3.8324 4.0047 4.0049 4.4266 4.4642 4.9301 4.9471 5.0154 5.0210 5.2660 5.2707 5.3167 5.3379 5.8254 5.8291 7.9165 7.9184 8.1761 8.2009 8.2774 8.3328 9.1026 9.1284 9.2205 9.3530 9.4390 9.5905 9.7444 9.7561 9.7990 9.8723 k = 0.0667-0.0471 0.6124 ( 7712 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0717 -26.0717 -26.0716 -26.0716 -5.7553 -5.7516 -5.5639 -5.5336 -5.5138 -5.4968 -5.4315 -5.4286 -5.2949 -5.2898 -5.2730 -5.2709 -5.2397 -5.2192 -5.1905 -5.1787 -5.0361 -4.9741 -4.9195 -4.9091 -3.1672 -3.1665 -3.1272 -3.1188 -3.1076 -3.1065 -3.0941 -3.0877 -3.0830 -3.0801 -3.0721 -3.0673 -3.0262 -3.0141 -3.0073 -2.9860 -2.9708 -2.9653 0.7877 0.7896 0.9408 0.9445 1.6624 1.6665 2.6377 2.6425 3.2019 3.2178 3.5843 3.6647 3.7065 3.7741 3.8082 3.8156 3.9848 3.9863 4.3896 4.4256 4.9415 4.9548 5.0167 5.0181 5.2584 5.2653 5.2986 5.3147 5.8310 5.8341 7.9152 7.9166 8.1696 8.1908 8.2737 8.3196 9.1301 9.1301 9.2326 9.4027 9.4377 9.6064 9.7631 9.7702 9.8198 9.8993 k = 0.0500-0.0354 0.6124 ( 7726 PWs) bands (ev): -61.9315 -61.9315 -34.7879 -34.7879 -26.0717 -26.0717 -26.0716 -26.0716 -5.7565 -5.7537 -5.5620 -5.5389 -5.5127 -5.4999 -5.4312 -5.4292 -5.2945 -5.2906 -5.2726 -5.2710 -5.2373 -5.2217 -5.1890 -5.1801 -5.0268 -4.9798 -4.9170 -4.9089 -3.1663 -3.1657 -3.1265 -3.1200 -3.1065 -3.1056 -3.0932 -3.0882 -3.0832 -3.0807 -3.0716 -3.0683 -3.0244 -3.0153 -3.0045 -2.9882 -2.9705 -2.9663 0.8013 0.8028 0.9760 0.9792 1.6194 1.6231 2.6404 2.6440 3.2048 3.2175 3.6105 3.6924 3.7128 3.7590 3.7883 3.8214 3.9724 3.9756 4.3591 4.3907 4.9512 4.9601 5.0175 5.0197 5.2507 5.2601 5.2850 5.2949 5.8356 5.8380 7.9140 7.9149 8.1650 8.1814 8.2727 8.3079 9.1315 9.1420 9.2582 9.4242 9.4559 9.6129 9.7768 9.7820 9.8429 9.9198 k = 0.0333-0.0236 0.6124 ( 7724 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0717 -26.0717 -26.0716 -26.0716 -5.7573 -5.7553 -5.5595 -5.5439 -5.5113 -5.5027 -5.4310 -5.4297 -5.2939 -5.2913 -5.2722 -5.2712 -5.2347 -5.2243 -5.1875 -5.1816 -5.0179 -4.9863 -4.9147 -4.9092 -3.1656 -3.1652 -3.1257 -3.1212 -3.1056 -3.1049 -3.0923 -3.0889 -3.0832 -3.0814 -3.0712 -3.0690 -3.0227 -3.0167 -3.0016 -2.9906 -2.9701 -2.9672 0.8114 0.8124 1.0048 1.0073 1.5854 1.5883 2.6427 2.6452 3.2076 3.2165 3.6362 3.7072 3.7226 3.7492 3.7719 3.8147 3.9679 3.9723 4.3372 4.3612 4.9583 4.9632 5.0191 5.0229 5.2440 5.2541 5.2763 5.2804 5.8390 5.8407 7.9130 7.9135 8.1624 8.1735 8.2741 8.2979 9.1332 9.1438 9.2920 9.4099 9.4996 9.6093 9.7866 9.7906 9.8668 9.9292 k = 0.0167-0.0118 0.6124 ( 7734 PWs) bands (ev): -61.9315 -61.9315 -34.7879 -34.7879 -26.0717 -26.0717 -26.0716 -26.0716 -5.7575 -5.7565 -5.5564 -5.5485 -5.5096 -5.5053 -5.4307 -5.4301 -5.2934 -5.2920 -5.2719 -5.2714 -5.2321 -5.2269 -5.1860 -5.1830 -5.0092 -4.9934 -4.9128 -4.9100 -3.1652 -3.1649 -3.1247 -3.1224 -3.1049 -3.1046 -3.0914 -3.0897 -3.0830 -3.0820 -3.0707 -3.0696 -3.0211 -3.0181 -2.9988 -2.9932 -2.9695 -2.9681 0.8176 0.8181 1.0242 1.0256 1.5635 1.5650 2.6445 2.6457 3.2103 3.2149 3.6603 3.6976 3.7455 3.7472 3.7602 3.7981 3.9688 3.9722 4.3261 4.3392 4.9626 4.9647 5.0219 5.0247 5.2405 5.2470 5.2717 5.2726 5.8413 5.8421 7.9123 7.9126 8.1619 8.1675 8.2774 8.2894 9.1356 9.1417 9.3270 9.3878 9.5391 9.5954 9.7930 9.7953 9.8900 9.9252 k = 0.0000 0.0000 0.6124 ( 7750 PWs) bands (ev): -61.9315 -61.9315 -34.7879 -34.7879 -26.0717 -26.0717 -26.0717 -26.0717 -5.7573 -5.7573 -5.5527 -5.5527 -5.5076 -5.5076 -5.4305 -5.4305 -5.2927 -5.2927 -5.2716 -5.2716 -5.2295 -5.2295 -5.1845 -5.1845 -5.0011 -5.0011 -4.9112 -4.9112 -3.1649 -3.1649 -3.1236 -3.1236 -3.1046 -3.1046 -3.0905 -3.0905 -3.0826 -3.0826 -3.0702 -3.0702 -3.0196 -3.0196 -2.9959 -2.9959 -2.9689 -2.9689 0.8199 0.8199 1.0316 1.0316 1.5563 1.5563 2.6455 2.6455 3.2128 3.2128 3.6813 3.6813 3.7480 3.7480 3.7760 3.7760 3.9712 3.9712 4.3268 4.3268 4.9645 4.9645 5.0242 5.0242 5.2416 5.2416 5.2703 5.2703 5.8423 5.8423 7.9122 7.9122 8.1636 8.1636 8.2826 8.2826 9.1385 9.1385 9.3597 9.3597 9.5716 9.5716 9.7960 9.7960 9.9106 9.9106 k = 0.0000 0.0000 0.6124 ( 7750 PWs) bands (ev): -61.9315 -61.9315 -34.7879 -34.7879 -26.0717 -26.0717 -26.0717 -26.0717 -5.7573 -5.7573 -5.5527 -5.5527 -5.5076 -5.5076 -5.4305 -5.4305 -5.2927 -5.2927 -5.2716 -5.2716 -5.2295 -5.2295 -5.1845 -5.1845 -5.0011 -5.0011 -4.9112 -4.9112 -3.1649 -3.1649 -3.1236 -3.1236 -3.1046 -3.1046 -3.0905 -3.0905 -3.0826 -3.0826 -3.0702 -3.0702 -3.0196 -3.0196 -2.9959 -2.9959 -2.9689 -2.9689 0.8199 0.8199 1.0316 1.0316 1.5563 1.5563 2.6455 2.6455 3.2128 3.2128 3.6813 3.6813 3.7480 3.7480 3.7760 3.7760 3.9712 3.9712 4.3268 4.3268 4.9645 4.9645 5.0242 5.0242 5.2416 5.2416 5.2703 5.2703 5.8423 5.8423 7.9122 7.9122 8.1636 8.1636 8.2826 8.2826 9.1385 9.1385 9.3597 9.3597 9.5716 9.5716 9.7960 9.7960 9.9106 9.9106 k = 0.0000 0.0000 0.5920 ( 7724 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0717 -26.0717 -26.0716 -26.0716 -5.7603 -5.7564 -5.5591 -5.5457 -5.5089 -5.5064 -5.4391 -5.4218 -5.2935 -5.2919 -5.2737 -5.2695 -5.2298 -5.2297 -5.1925 -5.1750 -5.0062 -4.9958 -4.9171 -4.9049 -3.1651 -3.1647 -3.1247 -3.1231 -3.1049 -3.1048 -3.0909 -3.0891 -3.0829 -3.0820 -3.0710 -3.0691 -3.0214 -3.0176 -2.9963 -2.9955 -2.9694 -2.9683 0.8212 0.8212 1.0328 1.0329 1.5565 1.5569 2.6466 2.6474 3.2099 3.2150 3.6790 3.6833 3.7432 3.7490 3.7755 3.7777 3.9667 3.9795 4.3251 4.3271 4.9549 4.9610 5.0165 5.0197 5.2390 5.2485 5.2686 5.2742 5.8351 5.8438 7.9001 7.9291 8.1584 8.1713 8.2746 8.2888 9.1365 9.1396 9.3355 9.3834 9.5475 9.6028 9.7874 9.7973 9.8952 9.9328 k = 0.0000 0.0000 0.5715 ( 7720 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0717 -26.0717 -26.0716 -26.0716 -5.7651 -5.7577 -5.5646 -5.5383 -5.5104 -5.5054 -5.4477 -5.4134 -5.2944 -5.2912 -5.2758 -5.2674 -5.2310 -5.2303 -5.1981 -5.1643 -5.0112 -4.9906 -4.9227 -4.8985 -3.1653 -3.1646 -3.1262 -3.1234 -3.1059 -3.1051 -3.0904 -3.0872 -3.0828 -3.0812 -3.0716 -3.0678 -3.0233 -3.0156 -2.9966 -2.9950 -2.9697 -2.9676 0.8252 0.8252 1.0365 1.0368 1.5575 1.5582 2.6507 2.6524 3.2066 3.2165 3.6752 3.6853 3.7367 3.7461 3.7752 3.7809 3.9667 3.9908 4.3220 4.3261 4.9305 4.9442 5.0017 5.0049 5.2337 5.2491 5.2763 5.2852 5.8224 5.8396 7.8933 7.9502 8.1557 8.1811 8.2648 8.2936 9.1335 9.1392 9.3132 9.4049 9.5294 9.6409 9.7729 9.7909 9.8864 9.9609 k = 0.0000 0.0000 0.5511 ( 7716 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0717 -26.0717 -26.0716 -26.0716 -5.7717 -5.7613 -5.5690 -5.5309 -5.5120 -5.5047 -5.4561 -5.4053 -5.2953 -5.2906 -5.2779 -5.2655 -5.2341 -5.2307 -5.2006 -5.1530 -5.0159 -4.9852 -4.9278 -4.8919 -3.1656 -3.1645 -3.1279 -3.1246 -3.1075 -3.1047 -3.0896 -3.0850 -3.0819 -3.0800 -3.0720 -3.0664 -3.0250 -3.0136 -2.9969 -2.9945 -2.9700 -2.9669 0.8318 0.8319 1.0426 1.0431 1.5592 1.5603 2.6579 2.6605 3.2028 3.2174 3.6682 3.6873 3.7308 3.7403 3.7745 3.7853 3.9711 4.0039 4.3173 4.3236 4.8923 4.9137 4.9844 4.9861 5.2202 5.2370 5.2943 5.3035 5.8044 5.8297 7.8922 7.9750 8.1555 8.1930 8.2540 8.2980 9.1297 9.1369 9.2944 9.4233 9.5158 9.6828 9.7545 9.7778 9.8852 9.9933 k = 0.0000 0.0000 0.5307 ( 7720 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0717 -26.0717 -26.0716 -26.0716 -5.7797 -5.7672 -5.5723 -5.5242 -5.5131 -5.5041 -5.4643 -5.3977 -5.2961 -5.2902 -5.2799 -5.2638 -5.2387 -5.2310 -5.1999 -5.1412 -5.0204 -4.9799 -4.9323 -4.8854 -3.1658 -3.1644 -3.1298 -3.1266 -3.1093 -3.1038 -3.0893 -3.0832 -3.0801 -3.0783 -3.0719 -3.0648 -3.0267 -3.0117 -2.9972 -2.9939 -2.9702 -2.9661 0.8411 0.8411 1.0513 1.0519 1.5617 1.5631 2.6680 2.6715 3.1987 3.2178 3.6571 3.6882 3.7274 3.7329 3.7737 3.7909 3.9791 4.0179 4.3110 4.3198 4.8445 4.8721 4.9647 4.9654 5.1990 5.2178 5.3137 5.3241 5.7814 5.8143 7.8971 8.0028 8.1577 8.2058 8.2437 8.3031 9.1249 9.1319 9.2802 9.4385 9.5059 9.7171 9.7370 9.7587 9.8958 10.0282 k = 0.0000 0.0000 0.5103 ( 7716 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0717 -26.0716 -26.0716 -26.0716 -5.7890 -5.7751 -5.5744 -5.5204 -5.5118 -5.5038 -5.4721 -5.3907 -5.2969 -5.2899 -5.2819 -5.2626 -5.2436 -5.2312 -5.1968 -5.1290 -5.0244 -4.9747 -4.9362 -4.8790 -3.1661 -3.1644 -3.1317 -3.1290 -3.1110 -3.1025 -3.0893 -3.0818 -3.0780 -3.0760 -3.0713 -3.0630 -3.0281 -3.0097 -2.9976 -2.9932 -2.9703 -2.9653 0.8529 0.8530 1.0624 1.0632 1.5649 1.5667 2.6809 2.6855 3.1947 3.2178 3.6423 3.6854 3.7263 3.7268 3.7734 3.7979 3.9896 4.0323 4.3031 4.3146 4.7907 4.8232 4.9416 4.9421 5.1713 5.1926 5.3310 5.3434 5.7539 5.7938 7.9081 8.0328 8.1623 8.2158 8.2387 8.3102 9.1189 9.1237 9.2708 9.4510 9.4987 9.7017 9.7346 9.7538 9.9230 10.0640 k = 0.0000 0.0000 0.4899 ( 7712 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0716 -26.0716 -26.0716 -26.0716 -5.7993 -5.7849 -5.5755 -5.5209 -5.5067 -5.5036 -5.4795 -5.3844 -5.2977 -5.2899 -5.2838 -5.2628 -5.2475 -5.2313 -5.1920 -5.1167 -5.0280 -4.9695 -4.9395 -4.8729 -3.1664 -3.1644 -3.1337 -3.1318 -3.1124 -3.1009 -3.0895 -3.0807 -3.0764 -3.0735 -3.0698 -3.0611 -3.0295 -3.0078 -2.9979 -2.9924 -2.9703 -2.9645 0.8672 0.8674 1.0759 1.0769 1.5688 1.5709 2.6967 2.7025 3.1908 3.2175 3.6251 3.6763 3.7244 3.7265 3.7745 3.8064 4.0017 4.0463 4.2934 4.3081 4.7331 4.7697 4.9146 4.9154 5.1378 5.1620 5.3451 5.3596 5.7225 5.7685 7.9252 8.0641 8.1691 8.2145 8.2486 8.3206 9.1114 9.1120 9.2657 9.4615 9.4939 9.6709 9.7062 9.7685 9.9626 10.0992 k = 0.0000 0.0000 0.4695 ( 7708 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0716 -26.0716 -26.0716 -26.0716 -5.8105 -5.7962 -5.5757 -5.5229 -5.5038 -5.5008 -5.4865 -5.3791 -5.2985 -5.2901 -5.2857 -5.2652 -5.2490 -5.2313 -5.1858 -5.1042 -5.0308 -4.9643 -4.9422 -4.8671 -3.1668 -3.1644 -3.1359 -3.1347 -3.1135 -3.0993 -3.0898 -3.0797 -3.0754 -3.0707 -3.0671 -3.0591 -3.0306 -3.0060 -2.9982 -2.9915 -2.9701 -2.9637 0.8841 0.8842 1.0918 1.0929 1.5733 1.5757 2.7152 2.7222 3.1872 3.2172 3.6064 3.6619 3.7248 3.7271 3.7776 3.8162 4.0144 4.0596 4.2820 4.3000 4.6731 4.7133 4.8837 4.8850 5.0988 5.1261 5.3554 5.3720 5.6878 5.7390 7.9480 8.0958 8.1787 8.2094 8.2665 8.3353 9.0972 9.1023 9.2639 9.4705 9.4906 9.6344 9.6747 9.7764 9.9995 10.1324 k = 0.0000 0.0000 0.4491 ( 7718 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0716 -26.0716 -26.0716 -26.0716 -5.8224 -5.8087 -5.5751 -5.5253 -5.5043 -5.4951 -5.4928 -5.3748 -5.2992 -5.2905 -5.2875 -5.2694 -5.2485 -5.2312 -5.1785 -5.0918 -5.0330 -4.9592 -4.9443 -4.8618 -3.1671 -3.1645 -3.1381 -3.1376 -3.1141 -3.0977 -3.0900 -3.0787 -3.0748 -3.0680 -3.0639 -3.0571 -3.0315 -3.0042 -2.9986 -2.9906 -2.9699 -2.9628 0.9032 0.9035 1.1100 1.1113 1.5785 1.5812 2.7362 2.7447 3.1843 3.2171 3.5870 3.6444 3.7256 3.7275 3.7833 3.8274 4.0271 4.0719 4.2686 4.2905 4.6119 4.6552 4.8488 4.8508 5.0550 5.0853 5.3617 5.3803 5.6505 5.7060 7.9760 8.1262 8.1918 8.2064 8.2875 8.3548 9.0794 9.0915 9.2642 9.4783 9.4876 9.5931 9.6417 9.7821 10.0231 10.1627 k = 0.0000 0.0000 0.4287 ( 7706 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0716 -26.0716 -26.0716 -26.0716 -5.8348 -5.8221 -5.5740 -5.5279 -5.5058 -5.4978 -5.4900 -5.3716 -5.2999 -5.2912 -5.2892 -5.2741 -5.2471 -5.2311 -5.1703 -5.0795 -5.0342 -4.9543 -4.9457 -4.8570 -3.1674 -3.1647 -3.1405 -3.1403 -3.1142 -3.0963 -3.0902 -3.0776 -3.0744 -3.0653 -3.0604 -3.0550 -3.0322 -3.0024 -2.9990 -2.9896 -2.9696 -2.9621 0.9247 0.9250 1.1304 1.1320 1.5842 1.5872 2.7597 2.7698 3.1822 3.2173 3.5675 3.6254 3.7253 3.7274 3.7916 3.8397 4.0391 4.0826 4.2531 4.2795 4.5501 4.5962 4.8100 4.8128 5.0067 5.0399 5.3642 5.3845 5.6115 5.6702 8.0086 8.1536 8.2071 8.2097 8.3108 8.3793 9.0592 9.0787 9.2657 9.4828 9.4851 9.5480 9.6097 9.7875 10.0356 10.1891 k = 0.0000 0.0000 0.4082 ( 7700 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0716 -26.0716 -26.0716 -26.0716 -5.8477 -5.8361 -5.5725 -5.5306 -5.5093 -5.5005 -5.4854 -5.3696 -5.3005 -5.2920 -5.2908 -5.2788 -5.2452 -5.2309 -5.1613 -5.0674 -5.0346 -4.9495 -4.9466 -4.8527 -3.1678 -3.1649 -3.1434 -3.1426 -3.1138 -3.0949 -3.0903 -3.0764 -3.0741 -3.0628 -3.0569 -3.0529 -3.0327 -3.0008 -2.9994 -2.9885 -2.9692 -2.9613 0.9483 0.9487 1.1531 1.1549 1.5905 1.5937 2.7855 2.7974 3.1810 3.2180 3.5481 3.6057 3.7236 3.7265 3.8021 3.8529 4.0502 4.0917 4.2356 4.2669 4.4883 4.5370 4.7676 4.7711 4.9544 4.9902 5.3632 5.3849 5.5715 5.6326 8.0447 8.1773 8.2117 8.2330 8.3364 8.4084 9.0368 9.0640 9.2679 9.4723 9.4873 9.5036 9.5831 9.7935 10.0430 10.2112 k = 0.0000 0.0000 0.3878 ( 7710 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0716 -26.0716 -26.0716 -26.0716 -5.8609 -5.8505 -5.5706 -5.5333 -5.5140 -5.5015 -5.4815 -5.3688 -5.3011 -5.2930 -5.2924 -5.2833 -5.2432 -5.2306 -5.1517 -5.0555 -5.0339 -4.9469 -4.9449 -4.8492 -3.1681 -3.1651 -3.1462 -3.1450 -3.1128 -3.0938 -3.0904 -3.0752 -3.0737 -3.0604 -3.0534 -3.0507 -3.0329 -2.9999 -2.9993 -2.9874 -2.9688 -2.9607 0.9739 0.9744 1.1778 1.1799 1.5972 1.6006 2.8135 2.8274 3.1811 3.2195 3.5293 3.5859 3.7207 3.7249 3.8143 3.8666 4.0598 4.0987 4.2160 4.2527 4.4273 4.4782 4.7218 4.7258 4.8986 4.9365 5.3590 5.3820 5.5315 5.5940 8.0832 8.1984 8.2205 8.2600 8.3644 8.4413 9.0125 9.0475 9.2699 9.4450 9.4522 9.5011 9.5665 9.8000 10.0493 10.2290 k = 0.0000 0.0000 0.3674 ( 7722 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0716 -26.0716 -26.0716 -26.0716 -5.8741 -5.8650 -5.5686 -5.5361 -5.5188 -5.5020 -5.4782 -5.3693 -5.3017 -5.2941 -5.2939 -5.2872 -5.2412 -5.2304 -5.1416 -5.0441 -5.0322 -4.9468 -4.9405 -4.8463 -3.1685 -3.1655 -3.1488 -3.1473 -3.1114 -3.0928 -3.0904 -3.0737 -3.0732 -3.0582 -3.0500 -3.0485 -3.0329 -3.0004 -2.9979 -2.9863 -2.9682 -2.9602 1.0014 1.0019 1.2046 1.2068 1.6044 1.6079 2.8433 2.8596 3.1825 3.2218 3.5111 3.5664 3.7166 3.7223 3.8276 3.8807 4.0676 4.1034 4.1943 4.2368 4.3674 4.4204 4.6732 4.6773 4.8396 4.8792 5.3522 5.3761 5.4923 5.5555 8.1227 8.2189 8.2332 8.2887 8.3953 8.4771 8.9866 9.0293 9.2704 9.3921 9.4242 9.5079 9.5600 9.8067 10.0561 10.2427 k = 0.0000 0.0000 0.3470 ( 7724 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0716 -26.0716 -26.0716 -26.0716 -5.8874 -5.8795 -5.5663 -5.5389 -5.5235 -5.5022 -5.4756 -5.3710 -5.3022 -5.2953 -5.2952 -5.2907 -5.2393 -5.2301 -5.1310 -5.0330 -5.0295 -4.9462 -4.9363 -4.8442 -3.1689 -3.1658 -3.1514 -3.1496 -3.1095 -3.0921 -3.0904 -3.0727 -3.0722 -3.0562 -3.0467 -3.0462 -3.0327 -3.0008 -2.9967 -2.9851 -2.9676 -2.9598 1.0304 1.0310 1.2333 1.2357 1.6118 1.6155 2.8749 2.8938 3.1853 3.2250 3.4939 3.5475 3.7114 3.7187 3.8416 3.8947 4.0733 4.1054 4.1708 4.2193 4.3092 4.3639 4.6223 4.6261 4.7778 4.8186 5.3433 5.3679 5.4547 5.5178 8.1618 8.2401 8.2496 8.3177 8.4292 8.5144 8.9595 9.0096 9.2665 9.3378 9.3956 9.5160 9.5595 9.8135 10.0644 10.2531 k = 0.0000 0.0000 0.3266 ( 7728 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0716 -26.0716 -26.0716 -26.0716 -5.9005 -5.8939 -5.5639 -5.5416 -5.5277 -5.5022 -5.4735 -5.3739 -5.3027 -5.2966 -5.2964 -5.2937 -5.2374 -5.2299 -5.1201 -5.0259 -5.0224 -4.9453 -4.9324 -4.8430 -3.1692 -3.1662 -3.1538 -3.1518 -3.1071 -3.0915 -3.0904 -3.0720 -3.0706 -3.0545 -3.0440 -3.0437 -3.0321 -3.0013 -2.9957 -2.9840 -2.9670 -2.9595 1.0609 1.0615 1.2638 1.2664 1.6195 1.6233 2.9079 2.9299 3.1898 3.2292 3.4779 3.5296 3.7053 3.7139 3.8560 3.9086 4.0759 4.1040 4.1461 4.2003 4.2536 4.3092 4.5697 4.5725 4.7136 4.7550 5.3328 5.3579 5.4194 5.4818 8.1993 8.2623 8.2692 8.3462 8.4662 8.5519 8.9316 8.9885 9.2531 9.2834 9.3753 9.5255 9.5621 9.8199 10.0745 10.2608 k = 0.0000 0.0000 0.3062 ( 7746 PWs) bands (ev): -61.9315 -61.9315 -34.7879 -34.7879 -26.0717 -26.0717 -26.0717 -26.0717 -5.9134 -5.9079 -5.5616 -5.5443 -5.5314 -5.5022 -5.4719 -5.3779 -5.3031 -5.2978 -5.2976 -5.2961 -5.2358 -5.2296 -5.1089 -5.0215 -5.0123 -4.9441 -4.9289 -4.8425 -3.1696 -3.1667 -3.1561 -3.1539 -3.1044 -3.0911 -3.0903 -3.0713 -3.0689 -3.0529 -3.0417 -3.0409 -3.0313 -3.0018 -2.9949 -2.9828 -2.9662 -2.9593 1.0925 1.0932 1.2959 1.2987 1.6274 1.6312 2.9421 2.9676 3.1960 3.2344 3.4632 3.5128 3.6980 3.7079 3.8704 3.9220 4.0732 4.0980 4.1225 4.1798 4.2019 4.2566 4.5161 4.5174 4.6473 4.6889 5.3212 5.3465 5.3869 5.4481 8.2340 8.2854 8.2916 8.3740 8.5058 8.5884 8.9032 8.9663 9.2274 9.2298 9.3686 9.5366 9.5662 9.8256 10.0868 10.2667 k = 0.0000 0.0000 0.2858 ( 7742 PWs) bands (ev): -61.9315 -61.9315 -34.7879 -34.7879 -26.0717 -26.0717 -26.0716 -26.0716 -5.9260 -5.9214 -5.5594 -5.5468 -5.5346 -5.5020 -5.4709 -5.3829 -5.3036 -5.2989 -5.2989 -5.2979 -5.2342 -5.2293 -5.0974 -5.0163 -5.0028 -4.9426 -4.9256 -4.8429 -3.1699 -3.1671 -3.1582 -3.1560 -3.1013 -3.0908 -3.0902 -3.0704 -3.0671 -3.0516 -3.0395 -3.0383 -3.0303 -3.0023 -2.9943 -2.9818 -2.9655 -2.9592 1.1250 1.1256 1.3295 1.3323 1.6354 1.6392 2.9772 3.0066 3.2041 3.2405 3.4500 3.4976 3.6897 3.7004 3.8845 3.9346 4.0601 4.0847 4.1051 4.1549 4.1601 4.2065 4.4612 4.4623 4.5796 4.6210 5.3090 5.3343 5.3575 5.4171 8.2656 8.3092 8.3162 8.4007 8.5472 8.6227 8.8750 8.9432 9.1780 9.1929 9.3734 9.5495 9.5710 9.8303 10.1015 10.2715 k = 0.0000 0.0000 0.2654 ( 7746 PWs) bands (ev): -61.9315 -61.9315 -34.7879 -34.7879 -26.0717 -26.0717 -26.0717 -26.0717 -5.9381 -5.9344 -5.5576 -5.5493 -5.5368 -5.5016 -5.4702 -5.3888 -5.3040 -5.3002 -5.3000 -5.2993 -5.2329 -5.2290 -5.0857 -5.0105 -4.9938 -4.9410 -4.9227 -4.8442 -3.1702 -3.1676 -3.1602 -3.1580 -3.0979 -3.0907 -3.0901 -3.0694 -3.0654 -3.0504 -3.0374 -3.0360 -3.0290 -3.0028 -2.9939 -2.9809 -2.9647 -2.9593 1.1579 1.1586 1.3642 1.3671 1.6434 1.6472 3.0129 3.0469 3.2142 3.2473 3.4385 3.4843 3.6803 3.6912 3.8979 3.9461 4.0356 4.0595 4.0955 4.1216 4.1374 4.1591 4.4045 4.4089 4.5113 4.5521 5.2967 5.3216 5.3313 5.3891 8.2940 8.3333 8.3421 8.4260 8.5890 8.6538 8.8475 8.9193 9.1290 9.1548 9.3857 9.5644 9.5764 9.8337 10.1187 10.2760 k = 0.0000 0.0000 0.2449 ( 7750 PWs) bands (ev): -61.9315 -61.9315 -34.7879 -34.7879 -26.0717 -26.0717 -26.0717 -26.0717 -5.9497 -5.9468 -5.5565 -5.5517 -5.5378 -5.5012 -5.4701 -5.3953 -5.3043 -5.3014 -5.3010 -5.3004 -5.2318 -5.2288 -5.0738 -5.0042 -4.9854 -4.9392 -4.9203 -4.8463 -3.1705 -3.1680 -3.1620 -3.1598 -3.0944 -3.0906 -3.0898 -3.0682 -3.0636 -3.0494 -3.0354 -3.0341 -3.0275 -3.0032 -2.9938 -2.9802 -2.9638 -2.9594 1.1910 1.1917 1.3999 1.4028 1.6514 1.6551 3.0486 3.0879 3.2264 3.2548 3.4289 3.4733 3.6696 3.6801 3.9098 3.9558 4.0061 4.0240 4.0862 4.0964 4.1167 4.1168 4.3475 4.3566 4.4435 4.4832 5.2844 5.3085 5.3088 5.3640 8.3198 8.3573 8.3681 8.4497 8.6292 8.6808 8.8218 8.8949 9.0838 9.1162 9.4032 9.5811 9.5825 9.8357 10.1384 10.2808 k = 0.0000 0.0000 0.2245 ( 7752 PWs) bands (ev): -61.9315 -61.9315 -34.7879 -34.7879 -26.0717 -26.0717 -26.0717 -26.0717 -5.9606 -5.9584 -5.5564 -5.5540 -5.5373 -5.5005 -5.4702 -5.4023 -5.3047 -5.3024 -5.3018 -5.3014 -5.2308 -5.2285 -5.0617 -4.9976 -4.9776 -4.9375 -4.9183 -4.8492 -3.1708 -3.1685 -3.1637 -3.1615 -3.0917 -3.0906 -3.0886 -3.0669 -3.0619 -3.0486 -3.0335 -3.0324 -3.0258 -3.0036 -2.9938 -2.9798 -2.9630 -2.9594 1.2239 1.2245 1.4362 1.4391 1.6591 1.6627 3.0839 3.1294 3.2408 3.2626 3.4215 3.4651 3.6578 3.6670 3.9176 3.9600 3.9781 3.9887 4.0604 4.0731 4.0923 4.0975 4.2902 4.3059 4.3780 4.4155 5.2726 5.2891 5.2962 5.3418 8.3436 8.3809 8.3931 8.4712 8.6649 8.7028 8.8000 8.8708 9.0433 9.0791 9.4246 9.5895 9.5993 9.8361 10.1606 10.2862 k = 0.0000 0.0000 0.2041 ( 7738 PWs) bands (ev): -61.9315 -61.9315 -34.7879 -34.7879 -26.0717 -26.0717 -26.0716 -26.0716 -5.9709 -5.9692 -5.5572 -5.5561 -5.5354 -5.4998 -5.4707 -5.4097 -5.3050 -5.3032 -5.3026 -5.3023 -5.2299 -5.2283 -5.0495 -4.9908 -4.9704 -4.9357 -4.9167 -4.8530 -3.1711 -3.1690 -3.1652 -3.1632 -3.0909 -3.0906 -3.0852 -3.0654 -3.0602 -3.0480 -3.0317 -3.0309 -3.0240 -3.0039 -2.9940 -2.9798 -2.9621 -2.9595 1.2562 1.2567 1.4726 1.4754 1.6667 1.6701 3.1182 3.1710 3.2577 3.2705 3.4163 3.4601 3.6449 3.6517 3.9119 3.9391 3.9623 3.9760 4.0208 4.0506 4.0783 4.0824 4.2322 4.2572 4.3166 4.3506 5.2611 5.2731 5.2843 5.3222 8.3658 8.4036 8.4163 8.4902 8.6901 8.7183 8.7873 8.8485 9.0082 9.0444 9.4493 9.5975 9.6184 9.8348 10.1850 10.2926 k = 0.0000 0.0000 0.1837 ( 7756 PWs) bands (ev): -61.9315 -61.9315 -34.7879 -34.7879 -26.0717 -26.0717 -26.0717 -26.0716 -5.9804 -5.9792 -5.5585 -5.5581 -5.5325 -5.4988 -5.4715 -5.4173 -5.3053 -5.3039 -5.3034 -5.3030 -5.2292 -5.2281 -5.0373 -4.9839 -4.9638 -4.9340 -4.9157 -4.8576 -3.1713 -3.1694 -3.1666 -3.1647 -3.0908 -3.0907 -3.0812 -3.0639 -3.0586 -3.0475 -3.0301 -3.0295 -3.0222 -3.0042 -2.9944 -2.9803 -2.9613 -2.9594 1.2874 1.2878 1.5087 1.5114 1.6738 1.6770 3.1510 3.2117 3.2770 3.2785 3.4136 3.4587 3.6310 3.6344 3.8887 3.9053 3.9621 3.9718 3.9819 4.0325 4.0573 4.0733 4.1739 4.2109 4.2612 4.2902 5.2503 5.2602 5.2731 5.3051 8.3867 8.4250 8.4370 8.5062 8.6964 8.7246 8.7914 8.8315 8.9788 9.0128 9.4764 9.6068 9.6377 9.8318 10.2115 10.3005 k = 0.0000 0.0000 0.1633 ( 7756 PWs) bands (ev): -61.9315 -61.9315 -34.7879 -34.7879 -26.0717 -26.0717 -26.0716 -26.0716 -5.9891 -5.9882 -5.5600 -5.5599 -5.5289 -5.4978 -5.4725 -5.4252 -5.3055 -5.3044 -5.3040 -5.3037 -5.2287 -5.2279 -5.0250 -4.9769 -4.9578 -4.9325 -4.9151 -4.8631 -3.1715 -3.1698 -3.1678 -3.1660 -3.0909 -3.0908 -3.0770 -3.0623 -3.0571 -3.0472 -3.0287 -3.0283 -3.0204 -3.0044 -2.9949 -2.9813 -2.9605 -2.9592 1.3170 1.3173 1.5438 1.5464 1.6806 1.6835 3.1815 3.2493 3.2882 3.2989 3.4136 3.4612 3.6154 3.6163 3.8600 3.8730 3.9367 3.9576 3.9746 4.0228 4.0338 4.0614 4.1181 4.1682 4.2123 4.2361 5.2406 5.2500 5.2629 5.2899 8.4063 8.4449 8.4549 8.5189 8.6868 8.7189 8.8091 8.8241 8.9548 8.9847 9.5051 9.6177 9.6565 9.8269 10.2392 10.3098 k = 0.0000 0.0000 0.1429 ( 7758 PWs) bands (ev): -61.9315 -61.9315 -34.7879 -34.7879 -26.0717 -26.0717 -26.0717 -26.0717 -5.9969 -5.9963 -5.5615 -5.5615 -5.5248 -5.4966 -5.4737 -5.4331 -5.3057 -5.3049 -5.3046 -5.3043 -5.2282 -5.2277 -5.0127 -4.9701 -4.9525 -4.9311 -4.9151 -4.8692 -3.1717 -3.1702 -3.1689 -3.1672 -3.0909 -3.0909 -3.0729 -3.0606 -3.0557 -3.0471 -3.0274 -3.0272 -3.0185 -3.0044 -2.9955 -2.9827 -2.9598 -2.9590 1.3447 1.3449 1.5775 1.5799 1.6868 1.6895 3.2094 3.2750 3.3079 3.3230 3.4163 3.4674 3.5952 3.6011 3.8316 3.8439 3.8973 3.9342 3.9824 4.0020 4.0242 4.0364 4.0776 4.1308 4.1698 4.1891 5.2324 5.2419 5.2539 5.2766 8.4248 8.4629 8.4698 8.5282 8.6717 8.7028 8.8262 8.8299 8.9354 8.9603 9.5347 9.6301 9.6739 9.8201 10.2677 10.3206 k = 0.0000 0.0000 0.1225 ( 7766 PWs) bands (ev): -61.9315 -61.9315 -34.7879 -34.7879 -26.0717 -26.0717 -26.0717 -26.0717 -6.0037 -6.0034 -5.5629 -5.5629 -5.5202 -5.4953 -5.4751 -5.4410 -5.3059 -5.3053 -5.3051 -5.3048 -5.2279 -5.2276 -5.0004 -4.9635 -4.9477 -4.9300 -4.9157 -4.8762 -3.1718 -3.1706 -3.1698 -3.1683 -3.0910 -3.0910 -3.0689 -3.0590 -3.0545 -3.0471 -3.0263 -3.0262 -3.0166 -3.0044 -2.9963 -2.9847 -2.9591 -2.9586 1.3699 1.3700 1.6089 1.6110 1.6924 1.6947 3.2344 3.2852 3.3406 3.3489 3.4217 3.4768 3.5747 3.5858 3.8050 3.8180 3.8580 3.9061 3.9683 3.9817 4.0008 4.0256 4.0606 4.1007 4.1330 4.1490 5.2260 5.2354 5.2460 5.2649 8.4420 8.4788 8.4818 8.5341 8.6562 8.6819 8.8336 8.8487 8.9200 8.9397 9.5643 9.6438 9.6894 9.8114 10.2957 10.3328 k = 0.0000 0.0000 0.1021 ( 7766 PWs) bands (ev): -61.9315 -61.9315 -34.7879 -34.7879 -26.0717 -26.0717 -26.0717 -26.0717 -6.0096 -6.0094 -5.5642 -5.5641 -5.5152 -5.4938 -5.4767 -5.4488 -5.3061 -5.3056 -5.3055 -5.3053 -5.2276 -5.2274 -4.9883 -4.9571 -4.9434 -4.9292 -4.9168 -4.8838 -3.1720 -3.1709 -3.1705 -3.1693 -3.0911 -3.0911 -3.0651 -3.0574 -3.0535 -3.0473 -3.0254 -3.0253 -3.0145 -3.0043 -2.9971 -2.9870 -2.9585 -2.9582 1.3922 1.3923 1.6373 1.6392 1.6973 1.6993 3.2562 3.2907 3.3748 3.3758 3.4298 3.4886 3.5550 3.5707 3.7811 3.7955 3.8196 3.8755 3.9325 3.9424 4.0029 4.0276 4.0509 4.0780 4.1017 4.1151 5.2214 5.2302 5.2393 5.2547 8.4579 8.4912 8.4923 8.5369 8.6421 8.6607 8.8432 8.8641 8.9078 8.9227 9.5932 9.6585 9.7024 9.8007 10.3222 10.3458 k = 0.0000 0.0000 0.0816 ( 7775 PWs) bands (ev): -61.9315 -61.9315 -34.7879 -34.7879 -26.0717 -26.0717 -26.0717 -26.0717 -6.0145 -6.0144 -5.5652 -5.5652 -5.5099 -5.4923 -5.4783 -5.4565 -5.3062 -5.3059 -5.3058 -5.3056 -5.2274 -5.2273 -4.9763 -4.9510 -4.9398 -4.9287 -4.9185 -4.8921 -3.1720 -3.1712 -3.1711 -3.1701 -3.0912 -3.0912 -3.0617 -3.0559 -3.0526 -3.0478 -3.0247 -3.0246 -3.0123 -3.0040 -2.9980 -2.9896 -2.9579 -2.9578 1.4111 1.4112 1.6619 1.6635 1.7015 1.7031 3.2746 3.2950 3.4030 3.4064 3.4400 3.5012 3.5374 3.5562 3.7606 3.7761 3.7833 3.8429 3.8991 3.9041 4.0099 4.0291 4.0435 4.0616 4.0757 4.0868 5.2185 5.2263 5.2337 5.2457 8.4724 8.4984 8.5031 8.5369 8.6301 8.6416 8.8534 8.8755 8.8984 8.9092 9.6209 9.6733 9.7123 9.7880 10.3460 10.3591 k = 0.0000 0.0000 0.0612 ( 7775 PWs) bands (ev): -61.9315 -61.9315 -34.7879 -34.7879 -26.0717 -26.0717 -26.0717 -26.0717 -6.0183 -6.0182 -5.5660 -5.5660 -5.5043 -5.4907 -5.4800 -5.4641 -5.3063 -5.3060 -5.3060 -5.3059 -5.2272 -5.2272 -4.9645 -4.9453 -4.9367 -4.9285 -4.9207 -4.9010 -3.1721 -3.1715 -3.1714 -3.1708 -3.0913 -3.0913 -3.0587 -3.0546 -3.0520 -3.0484 -3.0241 -3.0241 -3.0099 -3.0036 -2.9989 -2.9924 -2.9575 -2.9575 1.4264 1.4264 1.6820 1.6833 1.7048 1.7061 3.2892 3.2990 3.4294 3.4336 3.4523 3.5122 3.5228 3.5423 3.7443 3.7522 3.7597 3.8093 3.8717 3.8737 4.0165 4.0297 4.0376 4.0498 4.0551 4.0640 5.2172 5.2236 5.2292 5.2379 8.4855 8.5042 8.5110 8.5344 8.6204 8.6261 8.8632 8.8829 8.8915 8.8989 9.6473 9.6875 9.7189 9.7733 10.3656 10.3715 k = 0.0000 0.0000 0.0408 ( 7775 PWs) bands (ev): -61.9315 -61.9315 -34.7879 -34.7879 -26.0717 -26.0717 -26.0717 -26.0717 -6.0210 -6.0210 -5.5665 -5.5665 -5.4983 -5.4890 -5.4818 -5.4714 -5.3063 -5.3062 -5.3062 -5.3061 -5.2272 -5.2271 -4.9529 -4.9400 -4.9341 -4.9287 -4.9235 -4.9104 -3.1721 -3.1718 -3.1716 -3.1713 -3.0913 -3.0913 -3.0560 -3.0535 -3.0517 -3.0493 -3.0237 -3.0237 -3.0073 -3.0030 -2.9998 -2.9954 -2.9572 -2.9572 1.4375 1.4375 1.6970 1.6979 1.7073 1.7082 3.2994 3.3026 3.4529 3.4550 3.4672 3.5119 3.5175 3.5295 3.7298 3.7337 3.7461 3.7771 3.8516 3.8522 4.0223 4.0293 4.0331 4.0406 4.0417 4.0471 5.2174 5.2220 5.2258 5.2314 8.4971 8.5090 8.5156 8.5298 8.6132 8.6151 8.8720 8.8866 8.8869 8.8914 9.6723 9.7002 9.7221 9.7566 10.3801 10.3820 k = 0.0000 0.0000 0.0204 ( 7803 PWs) bands (ev): -61.9315 -61.9315 -34.7880 -34.7880 -26.0718 -26.0718 -26.0718 -26.0718 -6.0227 -6.0227 -5.5669 -5.5669 -5.4920 -5.4872 -5.4836 -5.4786 -5.3064 -5.3063 -5.3063 -5.3063 -5.2271 -5.2271 -4.9417 -4.9351 -4.9321 -4.9294 -4.9269 -4.9204 -3.1720 -3.1719 -3.1718 -3.1716 -3.0914 -3.0914 -3.0538 -3.0526 -3.0517 -3.0505 -3.0235 -3.0235 -3.0046 -3.0024 -3.0007 -2.9985 -2.9571 -2.9571 1.4443 1.4443 1.7063 1.7068 1.7089 1.7094 3.3051 3.3055 3.4691 3.4696 3.4862 3.5053 3.5128 3.5190 3.7221 3.7286 3.7358 3.7493 3.8393 3.8394 4.0269 4.0279 4.0297 4.0332 4.0357 4.0371 5.2190 5.2214 5.2233 5.2260 8.5072 8.5130 8.5171 8.5235 8.6086 8.6089 8.8792 8.8845 8.8866 8.8870 9.6957 9.7104 9.7217 9.7380 10.3889 10.3891 k = 0.0000 0.0000 0.0000 ( 7803 PWs) bands (ev): -61.9315 -61.9315 -34.7880 -34.7880 -26.0718 -26.0718 -26.0718 -26.0718 -6.0232 -6.0232 -5.5670 -5.5670 -5.4854 -5.4854 -5.4854 -5.4854 -5.3064 -5.3064 -5.3063 -5.3063 -5.2271 -5.2271 -4.9309 -4.9309 -4.9309 -4.9309 -4.9304 -4.9304 -3.1719 -3.1719 -3.1719 -3.1719 -3.0914 -3.0914 -3.0520 -3.0520 -3.0520 -3.0520 -3.0234 -3.0234 -3.0016 -3.0016 -3.0016 -3.0016 -2.9570 -2.9570 1.4465 1.4465 1.7096 1.7096 1.7096 1.7096 3.3068 3.3068 3.4753 3.4753 3.5052 3.5052 3.5052 3.5052 3.7296 3.7296 3.7296 3.7296 3.8352 3.8352 4.0268 4.0268 4.0322 4.0322 4.0322 4.0322 5.2219 5.2219 5.2219 5.2219 8.5159 8.5159 8.5159 8.5159 8.6069 8.6069 8.8844 8.8844 8.8844 8.8844 9.7177 9.7177 9.7177 9.7177 10.3917 10.3917 k = 0.0000 0.0000 0.0000 ( 7803 PWs) bands (ev): -61.9315 -61.9315 -34.7880 -34.7880 -26.0718 -26.0718 -26.0718 -26.0718 -6.0232 -6.0232 -5.5670 -5.5670 -5.4854 -5.4854 -5.4854 -5.4854 -5.3064 -5.3064 -5.3063 -5.3063 -5.2271 -5.2271 -4.9309 -4.9309 -4.9309 -4.9309 -4.9304 -4.9304 -3.1719 -3.1719 -3.1719 -3.1719 -3.0914 -3.0914 -3.0520 -3.0520 -3.0520 -3.0520 -3.0234 -3.0234 -3.0016 -3.0016 -3.0016 -3.0016 -2.9570 -2.9570 1.4465 1.4465 1.7096 1.7096 1.7096 1.7096 3.3068 3.3068 3.4753 3.4753 3.5052 3.5052 3.5052 3.5052 3.7296 3.7296 3.7296 3.7296 3.8352 3.8352 4.0268 4.0268 4.0322 4.0322 4.0322 4.0322 5.2219 5.2219 5.2219 5.2219 8.5159 8.5159 8.5159 8.5159 8.6069 8.6069 8.8844 8.8844 8.8844 8.8844 9.7177 9.7177 9.7177 9.7177 10.3917 10.3917 k = 0.0069 0.0098 0.0170 ( 7797 PWs) bands (ev): -61.9315 -61.9315 -34.7880 -34.7880 -26.0718 -26.0718 -26.0717 -26.0717 -6.0227 -6.0227 -5.5669 -5.5669 -5.4924 -5.4854 -5.4854 -5.4782 -5.3064 -5.3063 -5.3063 -5.3063 -5.2271 -5.2271 -4.9423 -4.9333 -4.9333 -4.9284 -4.9284 -4.9199 -3.1720 -3.1718 -3.1718 -3.1716 -3.0914 -3.0914 -3.0539 -3.0522 -3.0522 -3.0504 -3.0235 -3.0235 -3.0047 -3.0015 -3.0015 -2.9984 -2.9571 -2.9571 1.4442 1.4442 1.7074 1.7078 1.7078 1.7081 3.3053 3.3053 3.4692 3.4692 3.4846 3.5099 3.5099 3.5187 3.7220 3.7320 3.7320 3.7506 3.8396 3.8396 4.0278 4.0278 4.0279 4.0352 4.0352 4.0369 5.2188 5.2224 5.2224 5.2263 8.5067 8.5150 8.5150 8.5240 8.6088 8.6088 8.8788 8.8858 8.8858 8.8870 9.6947 9.7159 9.7159 9.7391 10.3889 10.3889 k = 0.0139 0.0196 0.0340 ( 7773 PWs) bands (ev): -61.9315 -61.9315 -34.7879 -34.7879 -26.0717 -26.0717 -26.0717 -26.0717 -6.0209 -6.0209 -5.5665 -5.5665 -5.4990 -5.4854 -5.4854 -5.4706 -5.3063 -5.3062 -5.3062 -5.3061 -5.2271 -5.2271 -4.9541 -4.9365 -4.9365 -4.9267 -4.9267 -4.9093 -3.1720 -3.1717 -3.1717 -3.1713 -3.0913 -3.0913 -3.0563 -3.0526 -3.0526 -3.0492 -3.0237 -3.0237 -3.0076 -3.0014 -3.0014 -2.9951 -2.9572 -2.9572 1.4371 1.4371 1.7015 1.7024 1.7024 1.7029 3.3008 3.3008 3.4548 3.4548 3.4611 3.5204 3.5204 3.5213 3.7317 3.7387 3.7387 3.7802 3.8527 3.8527 4.0239 4.0282 4.0282 4.0421 4.0464 4.0464 5.2172 5.2239 5.2239 5.2319 8.4965 8.5118 8.5118 8.5306 8.6146 8.6146 8.8706 8.8860 8.8901 8.8901 9.6711 9.7105 9.7105 9.7583 10.3806 10.3806 k = 0.0208 0.0295 0.0510 ( 7767 PWs) bands (ev): -61.9315 -61.9315 -34.7879 -34.7879 -26.0717 -26.0717 -26.0717 -26.0717 -6.0181 -6.0181 -5.5659 -5.5659 -5.5052 -5.4854 -5.4854 -5.4628 -5.3063 -5.3060 -5.3060 -5.3060 -5.2272 -5.2272 -4.9661 -4.9402 -4.9402 -4.9256 -4.9256 -4.8993 -3.1719 -3.1715 -3.1715 -3.1708 -3.0912 -3.0912 -3.0590 -3.0534 -3.0534 -3.0482 -3.0241 -3.0241 -3.0103 -3.0012 -3.0012 -2.9919 -2.9575 -2.9575 1.4257 1.4257 1.6920 1.6936 1.6936 1.6942 3.2936 3.2936 3.4352 3.4352 3.4377 3.5135 3.5348 3.5348 3.7485 3.7485 3.7579 3.8152 3.8744 3.8744 4.0201 4.0280 4.0280 4.0483 4.0653 4.0653 5.2170 5.2265 5.2265 5.2388 8.4851 8.5060 8.5060 8.5357 8.6245 8.6245 8.8604 8.8810 8.8974 8.8974 9.6481 9.7017 9.7017 9.7746 10.3675 10.3675 k = 0.0278 0.0393 0.0680 ( 7758 PWs) bands (ev): -61.9315 -61.9315 -34.7879 -34.7879 -26.0717 -26.0717 -26.0717 -26.0717 -6.0140 -6.0140 -5.5651 -5.5651 -5.5111 -5.4855 -5.4855 -5.4549 -5.3062 -5.3057 -5.3057 -5.3057 -5.2274 -5.2274 -4.9784 -4.9444 -4.9444 -4.9250 -4.9250 -4.8899 -3.1717 -3.1712 -3.1712 -3.1702 -3.0912 -3.0912 -3.0622 -3.0544 -3.0544 -3.0474 -3.0247 -3.0247 -3.0128 -3.0010 -3.0010 -2.9889 -2.9579 -2.9579 1.4102 1.4102 1.6792 1.6815 1.6815 1.6822 3.2841 3.2841 3.4119 3.4119 3.4155 3.4996 3.5529 3.5529 3.7603 3.7603 3.7961 3.8530 3.9040 3.9040 4.0166 4.0277 4.0277 4.0560 4.0908 4.0908 5.2184 5.2302 5.2302 5.2470 8.4727 8.4970 8.4970 8.5388 8.6383 8.6383 8.8486 8.8716 8.9077 8.9077 9.6266 9.6898 9.6898 9.7880 10.3507 10.3507 k = 0.0347 0.0491 0.0851 ( 7761 PWs) bands (ev): -61.9315 -61.9315 -34.7879 -34.7879 -26.0717 -26.0717 -26.0717 -26.0717 -6.0089 -6.0089 -5.5640 -5.5640 -5.5166 -5.4855 -5.4855 -5.4468 -5.3060 -5.3055 -5.3054 -5.3054 -5.2275 -5.2275 -4.9908 -4.9490 -4.9490 -4.9249 -4.9249 -4.8812 -3.1714 -3.1707 -3.1707 -3.1695 -3.0911 -3.0911 -3.0657 -3.0557 -3.0557 -3.0469 -3.0255 -3.0255 -3.0149 -3.0008 -3.0008 -2.9861 -2.9584 -2.9584 1.3911 1.3911 1.6634 1.6665 1.6665 1.6672 3.2725 3.2725 3.3859 3.3859 3.3953 3.4831 3.5747 3.5747 3.7738 3.7738 3.8421 3.8913 3.9398 3.9398 4.0134 4.0282 4.0282 4.0665 4.1221 4.1221 5.2215 5.2351 5.2351 5.2563 8.4590 8.4849 8.4849 8.5397 8.6556 8.6556 8.8358 8.8575 8.9215 8.9215 9.6079 9.6750 9.6750 9.7983 10.3312 10.3312 k = 0.0417 0.0589 0.1021 ( 7764 PWs) bands (ev): -61.9315 -61.9315 -34.7879 -34.7879 -26.0717 -26.0717 -26.0717 -26.0717 -6.0027 -6.0027 -5.5628 -5.5628 -5.5217 -5.4856 -5.4856 -5.4386 -5.3058 -5.3051 -5.3050 -5.3050 -5.2277 -5.2277 -5.0033 -4.9541 -4.9541 -4.9254 -4.9254 -4.8731 -3.1710 -3.1702 -3.1702 -3.1687 -3.0910 -3.0910 -3.0695 -3.0571 -3.0571 -3.0466 -3.0264 -3.0264 -3.0168 -3.0007 -3.0007 -2.9835 -2.9590 -2.9590 1.3689 1.3689 1.6450 1.6489 1.6489 1.6496 3.2589 3.2589 3.3589 3.3589 3.3773 3.4660 3.5995 3.5995 3.7887 3.7887 3.8930 3.9269 3.9773 3.9773 4.0111 4.0323 4.0323 4.0819 4.1586 4.1586 5.2264 5.2413 5.2413 5.2669 8.4440 8.4696 8.4696 8.5378 8.6753 8.6753 8.8224 8.8388 8.9390 8.9390 9.5928 9.6579 9.6579 9.8059 10.3100 10.3100 k = 0.0486 0.0687 0.1191 ( 7761 PWs) bands (ev): -61.9315 -61.9315 -34.7879 -34.7879 -26.0717 -26.0717 -26.0717 -26.0717 -5.9955 -5.9955 -5.5613 -5.5613 -5.5264 -5.4856 -5.4856 -5.4304 -5.3056 -5.3047 -5.3045 -5.3045 -5.2280 -5.2280 -5.0157 -4.9595 -4.9595 -4.9264 -4.9264 -4.8658 -3.1704 -3.1697 -3.1697 -3.1678 -3.0909 -3.0909 -3.0735 -3.0587 -3.0587 -3.0464 -3.0275 -3.0275 -3.0183 -3.0006 -3.0006 -2.9812 -2.9597 -2.9597 1.3443 1.3443 1.6244 1.6291 1.6291 1.6297 3.2430 3.2430 3.3324 3.3324 3.3615 3.4494 3.6263 3.6263 3.8051 3.8051 3.9448 3.9563 4.0022 4.0022 4.0118 4.0534 4.0534 4.1052 4.2000 4.2000 5.2333 5.2488 5.2488 5.2789 8.4274 8.4514 8.4514 8.5327 8.6962 8.6962 8.8090 8.8161 8.9609 8.9609 9.5819 9.6391 9.6391 9.8111 10.2882 10.2882 k = 0.0556 0.0786 0.1361 ( 7749 PWs) bands (ev): -61.9315 -61.9315 -34.7879 -34.7879 -26.0717 -26.0717 -26.0716 -26.0716 -5.9873 -5.9873 -5.5596 -5.5596 -5.5307 -5.4857 -5.4857 -5.4224 -5.3053 -5.3041 -5.3039 -5.3039 -5.2283 -5.2283 -5.0280 -4.9654 -4.9654 -4.9278 -4.9278 -4.8593 -3.1698 -3.1690 -3.1690 -3.1668 -3.0908 -3.0908 -3.0776 -3.0603 -3.0603 -3.0463 -3.0287 -3.0287 -3.0197 -3.0006 -3.0006 -2.9793 -2.9604 -2.9604 1.3178 1.3178 1.6020 1.6075 1.6075 1.6081 3.2238 3.2238 3.3085 3.3085 3.3477 3.4338 3.6540 3.6540 3.8230 3.8230 3.9770 3.9812 4.0075 4.0075 4.0306 4.0972 4.0972 4.1380 4.2459 4.2459 5.2422 5.2578 5.2578 5.2921 8.4088 8.4303 8.4303 8.5240 8.7170 8.7170 8.7901 8.7962 8.9876 8.9876 9.5753 9.6192 9.6192 9.8145 10.2665 10.2665 k = 0.0625 0.0884 0.1531 ( 7749 PWs) bands (ev): -61.9315 -61.9315 -34.7879 -34.7879 -26.0717 -26.0717 -26.0716 -26.0716 -5.9781 -5.9781 -5.5578 -5.5578 -5.5346 -5.4859 -5.4859 -5.4146 -5.3050 -5.3035 -5.3032 -5.3032 -5.2287 -5.2287 -5.0400 -4.9715 -4.9715 -4.9298 -4.9298 -4.8536 -3.1690 -3.1682 -3.1682 -3.1657 -3.0907 -3.0907 -3.0818 -3.0620 -3.0620 -3.0463 -3.0302 -3.0302 -3.0209 -3.0008 -3.0008 -2.9777 -2.9611 -2.9611 1.2899 1.2899 1.5782 1.5845 1.5845 1.5851 3.2006 3.2006 3.2887 3.2887 3.3359 3.4192 3.6816 3.6816 3.8425 3.8425 3.9875 3.9896 4.0067 4.0067 4.0815 4.1493 4.1493 4.1791 4.2963 4.2963 5.2532 5.2683 5.2683 5.3066 8.3879 8.4067 8.4067 8.5114 8.7364 8.7364 8.7620 8.7846 9.0194 9.0194 9.5731 9.5987 9.5987 9.8165 10.2456 10.2456 k = 0.0694 0.0982 0.1701 ( 7731 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0716 -26.0716 -26.0716 -26.0716 -5.9680 -5.9680 -5.5558 -5.5558 -5.5381 -5.4860 -5.4860 -5.4071 -5.3046 -5.3027 -5.3025 -5.3025 -5.2291 -5.2291 -5.0516 -4.9780 -4.9780 -4.9321 -4.9321 -4.8487 -3.1682 -3.1673 -3.1673 -3.1645 -3.0906 -3.0906 -3.0859 -3.0637 -3.0637 -3.0464 -3.0317 -3.0317 -3.0219 -3.0011 -3.0011 -2.9765 -2.9618 -2.9618 1.2612 1.2612 1.5534 1.5604 1.5604 1.5610 3.1737 3.1737 3.2735 3.2735 3.3258 3.4058 3.7081 3.7081 3.8635 3.8635 3.9856 3.9963 4.0041 4.0041 4.1416 4.2046 4.2046 4.2256 4.3510 4.3510 5.2663 5.2804 5.2804 5.3224 8.3645 8.3808 8.3808 8.4947 8.7332 8.7536 8.7536 8.7746 9.0560 9.0560 9.5750 9.5784 9.5784 9.8179 10.2258 10.2258 k = 0.0764 0.1080 0.1871 ( 7743 PWs) bands (ev): -61.9315 -61.9315 -34.7879 -34.7879 -26.0717 -26.0717 -26.0716 -26.0716 -5.9570 -5.9570 -5.5537 -5.5537 -5.5412 -5.4862 -5.4862 -5.4002 -5.3043 -5.3018 -5.3016 -5.3016 -5.2296 -5.2296 -5.0626 -4.9848 -4.9848 -4.9349 -4.9349 -4.8447 -3.1672 -3.1663 -3.1663 -3.1633 -3.0906 -3.0906 -3.0898 -3.0654 -3.0654 -3.0467 -3.0334 -3.0334 -3.0228 -3.0017 -3.0017 -2.9757 -2.9625 -2.9625 1.2322 1.2322 1.5280 1.5356 1.5356 1.5364 3.1444 3.1444 3.2621 3.2621 3.3172 3.3936 3.7328 3.7328 3.8862 3.8862 3.9819 3.9991 4.0006 4.0006 4.2037 4.2612 4.2612 4.2752 4.4098 4.4098 5.2813 5.2939 5.2939 5.3394 8.3385 8.3531 8.3531 8.4743 8.7051 8.7663 8.7682 8.7682 9.0968 9.0968 9.5588 9.5588 9.5804 9.8188 10.2076 10.2076 k = 0.0833 0.1179 0.2041 ( 7737 PWs) bands (ev): -61.9315 -61.9315 -34.7879 -34.7879 -26.0717 -26.0717 -26.0716 -26.0716 -5.9453 -5.9453 -5.5516 -5.5516 -5.5440 -5.4865 -5.4865 -5.3941 -5.3038 -5.3007 -5.3007 -5.3007 -5.2302 -5.2302 -5.0729 -4.9919 -4.9919 -4.9381 -4.9381 -4.8416 -3.1661 -3.1652 -3.1652 -3.1619 -3.0935 -3.0907 -3.0907 -3.0670 -3.0670 -3.0470 -3.0352 -3.0352 -3.0237 -3.0024 -3.0024 -2.9753 -2.9633 -2.9633 1.2032 1.2032 1.5024 1.5106 1.5106 1.5114 3.1139 3.1139 3.2536 3.2536 3.3100 3.3824 3.7550 3.7550 3.9102 3.9102 3.9774 3.9967 3.9967 3.9992 4.2663 4.3181 4.3181 4.3260 4.4725 4.4725 5.2982 5.3089 5.3089 5.3575 8.3100 8.3240 8.3240 8.4507 8.6788 8.7597 8.7802 8.7802 9.1406 9.1406 9.5404 9.5404 9.5890 9.8199 10.1911 10.1911 k = 0.0903 0.1277 0.2211 ( 7737 PWs) bands (ev): -61.9315 -61.9315 -34.7879 -34.7879 -26.0717 -26.0717 -26.0716 -26.0716 -5.9330 -5.9330 -5.5493 -5.5493 -5.5464 -5.4867 -5.4867 -5.3888 -5.3034 -5.2996 -5.2996 -5.2994 -5.2309 -5.2309 -5.0823 -4.9992 -4.9992 -4.9416 -4.9416 -4.8395 -3.1650 -3.1640 -3.1640 -3.1605 -3.0969 -3.0909 -3.0909 -3.0686 -3.0686 -3.0474 -3.0371 -3.0371 -3.0244 -3.0033 -3.0033 -2.9753 -2.9640 -2.9640 1.1747 1.1747 1.4768 1.4854 1.4854 1.4863 3.0832 3.0832 3.2472 3.2472 3.3041 3.3722 3.7744 3.7744 3.9349 3.9349 3.9723 3.9934 3.9934 3.9971 4.3284 4.3744 4.3744 4.3771 4.5386 4.5386 5.3166 5.3250 5.3250 5.3764 8.2795 8.2943 8.2943 8.4249 8.6551 8.7549 8.7898 8.7898 9.1861 9.1861 9.5234 9.5234 9.6002 9.8211 10.1766 10.1766 k = 0.0972 0.1375 0.2381 ( 7740 PWs) bands (ev): -61.9315 -61.9315 -34.7879 -34.7879 -26.0717 -26.0717 -26.0716 -26.0716 -5.9200 -5.9200 -5.5484 -5.5470 -5.5470 -5.4870 -5.4870 -5.3846 -5.3029 -5.2985 -5.2985 -5.2980 -5.2317 -5.2317 -5.0907 -5.0066 -5.0066 -4.9454 -4.9454 -4.8382 -3.1637 -3.1628 -3.1628 -3.1591 -3.0999 -3.0911 -3.0911 -3.0699 -3.0699 -3.0478 -3.0391 -3.0391 -3.0251 -3.0044 -3.0044 -2.9757 -2.9647 -2.9647 1.1471 1.1471 1.4515 1.4606 1.4606 1.4616 3.0532 3.0532 3.2423 3.2423 3.2992 3.3629 3.7906 3.7906 3.9571 3.9571 3.9668 3.9934 3.9937 3.9937 4.3894 4.4276 4.4294 4.4294 4.6077 4.6077 5.3361 5.3421 5.3421 5.3957 8.2481 8.2645 8.2645 8.3977 8.6343 8.7515 8.7973 8.7973 9.2312 9.2312 9.5082 9.5082 9.6136 9.8227 10.1641 10.1641 k = 0.1042 0.1473 0.2552 ( 7743 PWs) bands (ev): -61.9315 -61.9315 -34.7879 -34.7879 -26.0717 -26.0717 -26.0716 -26.0716 -5.9065 -5.9065 -5.5500 -5.5447 -5.5447 -5.4874 -5.4874 -5.3817 -5.3023 -5.2973 -5.2973 -5.2964 -5.2325 -5.2325 -5.0977 -5.0143 -5.0143 -4.9494 -4.9494 -4.8379 -3.1624 -3.1614 -3.1614 -3.1577 -3.1025 -3.0915 -3.0915 -3.0712 -3.0712 -3.0484 -3.0412 -3.0412 -3.0258 -3.0056 -3.0056 -2.9764 -2.9654 -2.9654 1.1205 1.1205 1.4268 1.4361 1.4361 1.4373 3.0243 3.0243 3.2388 3.2388 3.2953 3.3544 3.8038 3.8038 3.9609 3.9665 3.9665 3.9881 4.0083 4.0083 4.4487 4.4770 4.4825 4.4825 4.6793 4.6793 5.3562 5.3596 5.3596 5.4152 8.2171 8.2357 8.2357 8.3702 8.6165 8.7494 8.8031 8.8031 9.2740 9.2740 9.4950 9.4950 9.6287 9.8246 10.1539 10.1539 k = 0.1111 0.1571 0.2722 ( 7743 PWs) bands (ev): -61.9315 -61.9315 -34.7879 -34.7879 -26.0717 -26.0717 -26.0717 -26.0717 -5.8926 -5.8926 -5.5513 -5.5425 -5.5425 -5.4876 -5.4876 -5.3801 -5.3017 -5.2959 -5.2959 -5.2947 -5.2335 -5.2335 -5.1032 -5.0220 -5.0220 -4.9535 -4.9535 -4.8385 -3.1610 -3.1599 -3.1599 -3.1562 -3.1047 -3.0920 -3.0920 -3.0722 -3.0722 -3.0490 -3.0434 -3.0434 -3.0265 -3.0069 -3.0069 -2.9775 -2.9661 -2.9661 1.0954 1.0954 1.4029 1.4124 1.4124 1.4137 2.9968 2.9968 3.2363 3.2363 3.2922 3.3467 3.8140 3.8140 3.9546 3.9642 3.9642 3.9817 4.0357 4.0357 4.5060 4.5250 4.5334 4.5334 4.7525 4.7525 5.3762 5.3771 5.3771 5.4341 8.1878 8.2086 8.2086 8.3436 8.6017 8.7487 8.8075 8.8075 9.3121 9.3121 9.4845 9.4845 9.6452 9.8268 10.1459 10.1459 k = 0.1181 0.1670 0.2892 ( 7737 PWs) bands (ev): -61.9315 -61.9315 -34.7879 -34.7879 -26.0717 -26.0717 -26.0716 -26.0716 -5.8784 -5.8784 -5.5523 -5.5403 -5.5403 -5.4879 -5.4879 -5.3800 -5.3011 -5.2944 -5.2944 -5.2931 -5.2345 -5.2345 -5.1071 -5.0299 -5.0299 -4.9578 -4.9578 -4.8401 -3.1595 -3.1583 -3.1583 -3.1547 -3.1063 -3.0926 -3.0926 -3.0732 -3.0732 -3.0497 -3.0456 -3.0456 -3.0271 -3.0084 -3.0084 -2.9789 -2.9668 -2.9668 1.0719 1.0719 1.3798 1.3894 1.3894 1.3909 2.9711 2.9711 3.2348 3.2348 3.2898 3.3396 3.8214 3.8214 3.9479 3.9586 3.9586 3.9741 4.0677 4.0677 4.5608 4.5713 4.5818 4.5818 4.8266 4.8266 5.3939 5.3939 5.3955 5.4519 8.1618 8.1844 8.1844 8.3189 8.5894 8.7491 8.8109 8.8109 9.3425 9.3425 9.4776 9.4776 9.6626 9.8289 10.1400 10.1400 k = 0.1250 0.1768 0.3062 ( 7725 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0716 -26.0716 -26.0716 -26.0716 -5.8640 -5.8640 -5.5529 -5.5383 -5.5383 -5.4881 -5.4881 -5.3814 -5.3005 -5.2929 -5.2929 -5.2915 -5.2356 -5.2356 -5.1092 -5.0378 -5.0378 -4.9621 -4.9621 -4.8425 -3.1580 -3.1566 -3.1566 -3.1532 -3.1073 -3.0934 -3.0934 -3.0739 -3.0739 -3.0505 -3.0478 -3.0478 -3.0278 -3.0099 -3.0099 -2.9806 -2.9675 -2.9675 1.0502 1.0502 1.3578 1.3674 1.3674 1.3691 2.9472 2.9472 3.2340 3.2340 3.2880 3.3330 3.8262 3.8262 3.9410 3.9518 3.9518 3.9656 4.1021 4.1021 4.6130 4.6158 4.6275 4.6275 4.9008 4.9008 5.4093 5.4093 5.4132 5.4678 8.1405 8.1638 8.1638 8.2971 8.5795 8.7507 8.8136 8.8136 9.3618 9.3618 9.4760 9.4760 9.6808 9.8310 10.1362 10.1362 k = 0.1319 0.1866 0.3232 ( 7737 PWs) bands (ev): -61.9315 -61.9315 -34.7879 -34.7879 -26.0717 -26.0717 -26.0717 -26.0717 -5.8495 -5.8495 -5.5532 -5.5365 -5.5365 -5.4882 -5.4882 -5.3842 -5.2998 -5.2912 -5.2912 -5.2902 -5.2367 -5.2367 -5.1096 -5.0458 -5.0458 -4.9664 -4.9664 -4.8459 -3.1563 -3.1548 -3.1548 -3.1517 -3.1078 -3.0942 -3.0942 -3.0746 -3.0746 -3.0514 -3.0501 -3.0501 -3.0284 -3.0114 -3.0114 -2.9825 -2.9683 -2.9683 1.0305 1.0305 1.3368 1.3464 1.3464 1.3482 2.9255 2.9255 3.2338 3.2338 3.2867 3.3270 3.8287 3.8287 3.9338 3.9444 3.9444 3.9563 4.1382 4.1382 4.6583 4.6622 4.6705 4.6705 4.9741 4.9741 5.4225 5.4225 5.4286 5.4810 8.1251 8.1478 8.1478 8.2789 8.5717 8.7537 8.8160 8.8160 9.3683 9.3683 9.4800 9.4800 9.6993 9.8326 10.1339 10.1339 k = 0.1389 0.1964 0.3402 ( 7737 PWs) bands (ev): -61.9315 -61.9315 -34.7879 -34.7879 -26.0717 -26.0717 -26.0717 -26.0717 -5.8351 -5.8351 -5.5532 -5.5348 -5.5348 -5.4882 -5.4882 -5.3883 -5.2991 -5.2895 -5.2895 -5.2891 -5.2378 -5.2378 -5.1082 -5.0537 -5.0537 -4.9706 -4.9706 -4.8501 -3.1547 -3.1530 -3.1530 -3.1502 -3.1078 -3.0951 -3.0951 -3.0752 -3.0752 -3.0523 -3.0523 -3.0523 -3.0291 -3.0129 -3.0129 -2.9846 -2.9691 -2.9691 1.0129 1.0129 1.3171 1.3265 1.3265 1.3285 2.9059 2.9059 3.2341 3.2341 3.2858 3.3214 3.8291 3.8291 3.9263 3.9366 3.9366 3.9464 4.1756 4.1756 4.6988 4.7084 4.7106 4.7106 5.0458 5.0458 5.4331 5.4331 5.4412 5.4910 8.1167 8.1370 8.1370 8.2651 8.5659 8.7581 8.8183 8.8183 9.3641 9.3641 9.4871 9.4871 9.7181 9.8337 10.1325 10.1325 k = 0.1458 0.2062 0.3572 ( 7737 PWs) bands (ev): -61.9315 -61.9315 -34.7879 -34.7879 -26.0717 -26.0717 -26.0717 -26.0717 -5.8210 -5.8210 -5.5530 -5.5335 -5.5335 -5.4880 -5.4880 -5.3936 -5.2983 -5.2882 -5.2877 -5.2877 -5.2390 -5.2389 -5.1053 -5.0616 -5.0616 -4.9746 -4.9746 -4.8551 -3.1529 -3.1510 -3.1510 -3.1488 -3.1072 -3.0961 -3.0961 -3.0758 -3.0758 -3.0545 -3.0545 -3.0533 -3.0297 -3.0143 -3.0143 -2.9869 -2.9699 -2.9699 0.9977 0.9977 1.2985 1.3077 1.3077 1.3098 2.8886 2.8886 3.2349 3.2349 3.2852 3.3162 3.8278 3.8278 3.9188 3.9286 3.9286 3.9360 4.2143 4.2143 4.7372 4.7479 4.7479 4.7515 5.1147 5.1147 5.4406 5.4406 5.4503 5.4972 8.1158 8.1319 8.1319 8.2560 8.5621 8.7641 8.8209 8.8209 9.3528 9.3528 9.4935 9.4935 9.7369 9.8341 10.1308 10.1308 k = 0.1528 0.2161 0.3742 ( 7731 PWs) bands (ev): -61.9315 -61.9315 -34.7879 -34.7879 -26.0717 -26.0717 -26.0717 -26.0717 -5.8071 -5.8071 -5.5524 -5.5324 -5.5324 -5.4876 -5.4876 -5.4000 -5.2975 -5.2875 -5.2858 -5.2858 -5.2400 -5.2400 -5.1009 -5.0694 -5.0694 -4.9785 -4.9785 -4.8608 -3.1511 -3.1490 -3.1490 -3.1473 -3.1061 -3.0971 -3.0971 -3.0764 -3.0764 -3.0567 -3.0567 -3.0544 -3.0303 -3.0157 -3.0157 -2.9894 -2.9708 -2.9708 0.9849 0.9849 1.2811 1.2901 1.2901 1.2922 2.8735 2.8735 3.2361 3.2361 3.2849 3.3114 3.8251 3.8251 3.9111 3.9203 3.9203 3.9253 4.2541 4.2541 4.7732 4.7823 4.7823 4.7914 5.1799 5.1799 5.4449 5.4449 5.4556 5.4992 8.1228 8.1329 8.1329 8.2517 8.5604 8.7718 8.8241 8.8241 9.3370 9.3370 9.4974 9.4974 9.7556 9.8338 10.1277 10.1277 k = 0.1597 0.2259 0.3912 ( 7725 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0717 -26.0717 -26.0716 -26.0716 -5.7938 -5.7938 -5.5516 -5.5316 -5.5316 -5.4870 -5.4870 -5.4073 -5.2967 -5.2870 -5.2841 -5.2841 -5.2408 -5.2408 -5.0954 -5.0770 -5.0770 -4.9821 -4.9821 -4.8674 -3.1493 -3.1469 -3.1469 -3.1459 -3.1045 -3.0982 -3.0982 -3.0770 -3.0770 -3.0588 -3.0588 -3.0557 -3.0309 -3.0169 -3.0169 -2.9920 -2.9717 -2.9717 0.9746 0.9746 1.2648 1.2735 1.2735 1.2757 2.8607 2.8607 3.2376 3.2376 3.2848 3.3068 3.8212 3.8212 3.9034 3.9119 3.9119 3.9145 4.2947 4.2947 4.8068 4.8137 4.8137 4.8278 5.2400 5.2400 5.4464 5.4464 5.4572 5.4971 8.1375 8.1398 8.1398 8.2522 8.5610 8.7815 8.8281 8.8281 9.3182 9.3182 9.4981 9.4981 9.7740 9.8330 10.1219 10.1219 k = 0.1667 0.2357 0.4082 ( 7737 PWs) bands (ev): -61.9315 -61.9315 -34.7879 -34.7879 -26.0717 -26.0717 -26.0717 -26.0717 -5.7810 -5.7810 -5.5506 -5.5310 -5.5310 -5.4863 -5.4863 -5.4153 -5.2959 -5.2866 -5.2824 -5.2824 -5.2414 -5.2414 -5.0888 -5.0844 -5.0844 -4.9855 -4.9855 -4.8746 -3.1474 -3.1447 -3.1447 -3.1444 -3.1025 -3.0993 -3.0993 -3.0776 -3.0776 -3.0608 -3.0608 -3.0569 -3.0315 -3.0180 -3.0180 -2.9946 -2.9727 -2.9727 0.9669 0.9669 1.2497 1.2579 1.2579 1.2602 2.8501 2.8501 3.2393 3.2393 3.2847 3.3025 3.8164 3.8164 3.8958 3.9034 3.9034 3.9037 4.3361 4.3361 4.8377 4.8420 4.8420 4.8606 5.2931 5.2931 5.4465 5.4465 5.4553 5.4912 8.1522 8.1522 8.1590 8.2569 8.5644 8.7933 8.8333 8.8333 9.2976 9.2976 9.4959 9.4959 9.7921 9.8317 10.1125 10.1125 k = 0.1736 0.2455 0.4253 ( 7737 PWs) bands (ev): -61.9315 -61.9315 -34.7879 -34.7879 -26.0717 -26.0717 -26.0717 -26.0717 -5.7691 -5.7691 -5.5493 -5.5306 -5.5306 -5.4854 -5.4854 -5.4239 -5.2950 -5.2863 -5.2809 -5.2809 -5.2416 -5.2416 -5.0916 -5.0916 -5.0816 -4.9885 -4.9885 -4.8824 -3.1455 -3.1429 -3.1425 -3.1425 -3.1005 -3.1005 -3.1001 -3.0783 -3.0783 -3.0627 -3.0627 -3.0583 -3.0321 -3.0190 -3.0190 -2.9973 -2.9737 -2.9737 0.9619 0.9619 1.2355 1.2433 1.2433 1.2456 2.8417 2.8417 3.2412 3.2412 3.2847 3.2985 3.8111 3.8111 3.8883 3.8931 3.8949 3.8949 4.3781 4.3781 4.8654 4.8668 4.8668 4.8895 5.3357 5.3357 5.4483 5.4483 5.4506 5.4822 8.1695 8.1695 8.1861 8.2651 8.5713 8.8073 8.8401 8.8401 9.2764 9.2764 9.4907 9.4907 9.8099 9.8305 10.0989 10.0989 k = 0.1806 0.2553 0.4423 ( 7707 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0717 -26.0717 -26.0716 -26.0716 -5.7580 -5.7580 -5.5477 -5.5304 -5.5304 -5.4844 -5.4844 -5.4329 -5.2941 -5.2860 -5.2798 -5.2798 -5.2413 -5.2413 -5.0984 -5.0984 -5.0737 -4.9912 -4.9911 -4.8908 -3.1436 -3.1413 -3.1403 -3.1403 -3.1017 -3.1017 -3.0975 -3.0790 -3.0790 -3.0645 -3.0645 -3.0597 -3.0325 -3.0198 -3.0198 -3.0000 -2.9747 -2.9747 0.9597 0.9597 1.2223 1.2296 1.2296 1.2319 2.8352 2.8352 3.2433 3.2433 3.2847 3.2947 3.8053 3.8053 3.8810 3.8828 3.8865 3.8865 4.4206 4.4206 4.8878 4.8878 4.8896 4.9141 5.3624 5.3624 5.4438 5.4578 5.4578 5.4711 8.1906 8.1906 8.2168 8.2761 8.5829 8.8236 8.8489 8.8489 9.2554 9.2554 9.4825 9.4825 9.8273 9.8298 10.0814 10.0814 k = 0.1875 0.2652 0.4593 ( 7701 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0716 -26.0716 -26.0716 -26.0716 -5.7479 -5.7479 -5.5460 -5.5302 -5.5302 -5.4834 -5.4834 -5.4421 -5.2932 -5.2858 -5.2790 -5.2790 -5.2405 -5.2405 -5.1049 -5.1049 -5.0655 -4.9934 -4.9934 -4.8997 -3.1416 -3.1397 -3.1381 -3.1381 -3.1031 -3.1031 -3.0946 -3.0796 -3.0796 -3.0661 -3.0661 -3.0612 -3.0329 -3.0205 -3.0205 -3.0026 -2.9757 -2.9757 0.9604 0.9604 1.2098 1.2166 1.2166 1.2188 2.8307 2.8307 3.2456 3.2456 3.2845 3.2911 3.7995 3.7995 3.8730 3.8738 3.8782 3.8782 4.4634 4.4634 4.9042 4.9042 4.9095 4.9336 5.3714 5.3714 5.4361 5.4593 5.4771 5.4771 8.2145 8.2145 8.2485 8.2888 8.6004 8.8420 8.8598 8.8598 9.2356 9.2356 9.4708 9.4708 9.8304 9.8443 10.0608 10.0608 k = 0.1944 0.2750 0.4763 ( 7704 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0717 -26.0717 -26.0716 -26.0716 -5.7390 -5.7390 -5.5440 -5.5299 -5.5299 -5.4824 -5.4824 -5.4516 -5.2922 -5.2855 -5.2786 -5.2786 -5.2391 -5.2391 -5.1109 -5.1109 -5.0570 -4.9953 -4.9953 -4.9091 -3.1397 -3.1381 -3.1359 -3.1359 -3.1046 -3.1046 -3.0916 -3.0802 -3.0802 -3.0676 -3.0676 -3.0627 -3.0332 -3.0211 -3.0211 -3.0053 -2.9767 -2.9767 0.9640 0.9640 1.1980 1.2041 1.2041 1.2062 2.8278 2.8278 3.2480 3.2480 3.2842 3.2878 3.7937 3.7937 3.8639 3.8670 3.8700 3.8700 4.5063 4.5063 4.9156 4.9156 4.9246 4.9477 5.3704 5.3704 5.4289 5.4481 5.4996 5.4996 8.2398 8.2398 8.2786 8.3023 8.6254 8.8623 8.8734 8.8734 9.2176 9.2176 9.4545 9.4545 9.8328 9.8611 10.0387 10.0387 k = 0.2014 0.2848 0.4933 ( 7704 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0717 -26.0717 -26.0716 -26.0716 -5.7312 -5.7312 -5.5418 -5.5296 -5.5296 -5.4815 -5.4815 -5.4610 -5.2912 -5.2853 -5.2787 -5.2787 -5.2372 -5.2372 -5.1165 -5.1165 -5.0485 -4.9968 -4.9968 -4.9189 -3.1377 -3.1364 -3.1338 -3.1338 -3.1062 -3.1062 -3.0886 -3.0806 -3.0806 -3.0690 -3.0690 -3.0643 -3.0333 -3.0216 -3.0216 -3.0079 -2.9777 -2.9777 0.9706 0.9706 1.1866 1.1921 1.1921 1.1941 2.8263 2.8263 3.2505 3.2505 3.2837 3.2847 3.7881 3.7881 3.8555 3.8604 3.8623 3.8623 4.5493 4.5493 4.9213 4.9213 4.9342 4.9555 5.3666 5.3666 5.4235 5.4391 5.5189 5.5189 8.2652 8.2652 8.3046 8.3155 8.6588 8.8839 8.8899 8.8899 9.2021 9.2021 9.4324 9.4324 9.8379 9.8776 10.0173 10.0173 k = 0.2083 0.2946 0.5103 ( 7698 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0716 -26.0716 -26.0716 -26.0716 -5.7246 -5.7246 -5.5394 -5.5290 -5.5290 -5.4807 -5.4807 -5.4704 -5.2902 -5.2851 -5.2791 -5.2791 -5.2350 -5.2350 -5.1214 -5.1214 -5.0400 -4.9978 -4.9978 -4.9290 -3.1357 -3.1347 -3.1317 -3.1317 -3.1081 -3.1081 -3.0856 -3.0808 -3.0808 -3.0702 -3.0702 -3.0659 -3.0331 -3.0220 -3.0220 -3.0104 -2.9786 -2.9786 0.9801 0.9801 1.1755 1.1803 1.1803 1.1821 2.8260 2.8260 3.2531 3.2531 3.2819 3.2829 3.7830 3.7830 3.8480 3.8543 3.8549 3.8549 4.5920 4.5920 4.9211 4.9211 4.9380 4.9569 5.3638 5.3638 5.4211 5.4335 5.5323 5.5323 8.2892 8.2892 8.3252 8.3279 8.7006 8.9062 8.9096 8.9096 9.1893 9.1893 9.4033 9.4033 9.8464 9.8938 9.9989 9.9989 k = 0.2153 0.3044 0.5273 ( 7701 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0716 -26.0716 -26.0716 -26.0716 -5.7193 -5.7193 -5.5368 -5.5283 -5.5283 -5.4801 -5.4801 -5.4796 -5.2892 -5.2848 -5.2797 -5.2797 -5.2326 -5.2326 -5.1256 -5.1256 -5.0315 -4.9983 -4.9983 -4.9394 -3.1338 -3.1330 -3.1297 -3.1297 -3.1102 -3.1102 -3.0828 -3.0809 -3.0809 -3.0713 -3.0713 -3.0675 -3.0327 -3.0224 -3.0224 -3.0128 -2.9795 -2.9795 0.9928 0.9928 1.1645 1.1686 1.1686 1.1701 2.8267 2.8267 3.2558 3.2558 3.2793 3.2817 3.7784 3.7784 3.8416 3.8482 3.8482 3.8486 4.6344 4.6344 4.9152 4.9152 4.9360 4.9520 5.3638 5.3638 5.4224 5.4321 5.5387 5.5387 8.3109 8.3109 8.3387 8.3404 8.7492 8.9285 8.9323 8.9323 9.1792 9.1792 9.3664 9.3664 9.8585 9.9096 9.9853 9.9853 k = 0.2222 0.3143 0.5443 ( 7701 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0716 -26.0716 -26.0716 -26.0716 -5.7151 -5.7151 -5.5341 -5.5273 -5.5273 -5.4886 -5.4796 -5.4796 -5.2881 -5.2846 -5.2804 -5.2804 -5.2303 -5.2303 -5.1291 -5.1291 -5.0233 -4.9984 -4.9984 -4.9500 -3.1318 -3.1312 -3.1279 -3.1279 -3.1125 -3.1125 -3.0806 -3.0806 -3.0803 -3.0724 -3.0724 -3.0690 -3.0318 -3.0227 -3.0227 -3.0152 -2.9802 -2.9802 1.0086 1.0086 1.1534 1.1567 1.1567 1.1580 2.8279 2.8279 3.2586 3.2586 3.2770 3.2802 3.7745 3.7745 3.8363 3.8422 3.8422 3.8433 4.6761 4.6761 4.9042 4.9042 4.9286 4.9414 5.3671 5.3671 5.4276 5.4350 5.5379 5.5379 8.3293 8.3293 8.3477 8.3507 8.8027 8.9501 8.9580 8.9580 9.1716 9.1716 9.3219 9.3219 9.8747 9.9248 9.9775 9.9775 k = 0.2292 0.3241 0.5613 ( 7689 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0716 -26.0716 -26.0716 -26.0716 -5.7121 -5.7121 -5.5311 -5.5260 -5.5260 -5.4973 -5.4792 -5.4792 -5.2870 -5.2844 -5.2813 -5.2813 -5.2283 -5.2283 -5.1318 -5.1318 -5.0154 -4.9980 -4.9980 -4.9608 -3.1299 -3.1294 -3.1262 -3.1262 -3.1149 -3.1149 -3.0802 -3.0802 -3.0781 -3.0732 -3.0732 -3.0705 -3.0306 -3.0230 -3.0230 -3.0175 -2.9809 -2.9809 1.0275 1.0275 1.1419 1.1444 1.1444 1.1454 2.8294 2.8294 3.2615 3.2615 3.2749 3.2783 3.7714 3.7714 3.8323 3.8372 3.8372 3.8387 4.7166 4.7166 4.8897 4.8897 4.9169 4.9263 5.3734 5.3734 5.4366 5.4420 5.5302 5.5302 8.3439 8.3439 8.3547 8.3573 8.8585 8.9704 8.9856 8.9856 9.1660 9.1660 9.2712 9.2712 9.8944 9.9389 9.9749 9.9749 k = 0.2361 0.3339 0.5784 ( 7686 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0716 -26.0716 -26.0716 -26.0716 -5.7101 -5.7101 -5.5279 -5.5245 -5.5245 -5.5057 -5.4790 -5.4790 -5.2859 -5.2841 -5.2821 -5.2821 -5.2268 -5.2268 -5.1336 -5.1336 -5.0077 -4.9970 -4.9970 -4.9717 -3.1280 -3.1277 -3.1248 -3.1248 -3.1174 -3.1174 -3.0796 -3.0796 -3.0764 -3.0740 -3.0740 -3.0719 -3.0289 -3.0233 -3.0233 -3.0197 -2.9813 -2.9813 1.0496 1.0496 1.1299 1.1316 1.1316 1.1323 2.8308 2.8308 3.2643 3.2643 3.2730 3.2760 3.7691 3.7691 3.8298 3.8333 3.8333 3.8348 4.7549 4.7549 4.8740 4.8740 4.9020 4.9081 5.3818 5.3818 5.4487 5.4523 5.5164 5.5164 8.3543 8.3543 8.3595 8.3610 8.9147 8.9890 9.0129 9.0129 9.1617 9.1617 9.2180 9.2180 9.9171 9.9510 9.9750 9.9750 k = 0.2431 0.3437 0.5954 ( 7686 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0716 -26.0716 -26.0716 -26.0716 -5.7090 -5.7090 -5.5246 -5.5229 -5.5229 -5.5136 -5.4790 -5.4790 -5.2848 -5.2839 -5.2829 -5.2829 -5.2258 -5.2258 -5.1346 -5.1346 -5.0005 -4.9956 -4.9956 -4.9827 -3.1261 -3.1259 -3.1237 -3.1237 -3.1198 -3.1198 -3.0791 -3.0791 -3.0752 -3.0745 -3.0745 -3.0732 -3.0267 -3.0237 -3.0237 -3.0219 -2.9816 -2.9816 1.0749 1.0749 1.1171 1.1180 1.1180 1.1183 2.8319 2.8319 3.2671 3.2671 3.2714 3.2732 3.7676 3.7676 3.8289 3.8307 3.8307 3.8317 4.7872 4.7872 4.8620 4.8620 4.8852 4.8881 5.3902 5.3902 5.4633 5.4651 5.4982 5.4982 8.3606 8.3606 8.3621 8.3626 8.9692 9.0058 9.0319 9.0319 9.1580 9.1580 9.1713 9.1713 9.9413 9.9602 9.9735 9.9735 k = 0.2500 0.3536 0.6124 ( 7656 PWs) bands (ev): -61.9314 -61.9314 -34.7877 -34.7877 -26.0716 -26.0716 -26.0716 -26.0716 -5.7086 -5.7086 -5.5211 -5.5211 -5.5211 -5.5211 -5.4789 -5.4789 -5.2836 -5.2836 -5.2836 -5.2836 -5.2254 -5.2254 -5.1349 -5.1349 -4.9936 -4.9936 -4.9936 -4.9936 -3.1242 -3.1242 -3.1242 -3.1242 -3.1210 -3.1210 -3.0789 -3.0789 -3.0744 -3.0744 -3.0744 -3.0744 -3.0240 -3.0240 -3.0240 -3.0240 -2.9817 -2.9817 1.1033 1.1033 1.1033 1.1033 1.1035 1.1035 2.8323 2.8323 3.2698 3.2698 3.2698 3.2698 3.7671 3.7671 3.8297 3.8297 3.8297 3.8297 4.8007 4.8007 4.8677 4.8677 4.8677 4.8677 5.3947 5.3947 5.4797 5.4797 5.4797 5.4797 8.3628 8.3628 8.3628 8.3628 9.0209 9.0209 9.0209 9.0209 9.1537 9.1537 9.1547 9.1547 9.9652 9.9652 9.9652 9.9652 k = 0.2500 0.3536 0.6124 ( 7656 PWs) bands (ev): -61.9314 -61.9314 -34.7877 -34.7877 -26.0716 -26.0716 -26.0716 -26.0716 -5.7086 -5.7086 -5.5211 -5.5211 -5.5211 -5.5211 -5.4789 -5.4789 -5.2836 -5.2836 -5.2836 -5.2836 -5.2254 -5.2254 -5.1349 -5.1349 -4.9936 -4.9936 -4.9936 -4.9936 -3.1242 -3.1242 -3.1242 -3.1242 -3.1210 -3.1210 -3.0789 -3.0789 -3.0744 -3.0744 -3.0744 -3.0744 -3.0240 -3.0240 -3.0240 -3.0240 -2.9817 -2.9817 1.1033 1.1033 1.1033 1.1033 1.1035 1.1035 2.8323 2.8323 3.2698 3.2698 3.2698 3.2698 3.7671 3.7671 3.8297 3.8297 3.8297 3.8297 4.8007 4.8007 4.8677 4.8677 4.8677 4.8677 5.3947 5.3947 5.4797 5.4797 5.4797 5.4797 8.3628 8.3628 8.3628 8.3628 9.0209 9.0209 9.0209 9.0209 9.1537 9.1537 9.1547 9.1547 9.9652 9.9652 9.9652 9.9652 k = 0.2569 0.3339 0.6124 ( 7674 PWs) bands (ev): -61.9314 -61.9314 -34.7878 -34.7878 -26.0716 -26.0716 -26.0716 -26.0716 -5.7089 -5.7089 -5.5281 -5.5192 -5.5192 -5.5174 -5.4789 -5.4789 -5.2843 -5.2843 -5.2834 -5.2825 -5.2258 -5.2258 -5.1347 -5.1347 -5.0046 -4.9912 -4.9912 -4.9873 -3.1266 -3.1266 -3.1225 -3.1224 -3.1205 -3.1205 -3.0791 -3.0791 -3.0755 -3.0741 -3.0739 -3.0739 -3.0261 -3.0244 -3.0244 -3.0210 -2.9816 -2.9816 1.0872 1.0877 1.0877 1.0884 1.1350 1.1350 2.8318 2.8318 3.2660 3.2683 3.2722 3.2722 3.7677 3.7677 3.8290 3.8304 3.8304 3.8325 4.7926 4.7926 4.8478 4.8505 4.8947 4.8947 5.3869 5.3869 5.4693 5.4693 5.4954 5.4972 8.3613 8.3613 8.3617 8.3620 8.9750 8.9750 9.0344 9.0687 9.1492 9.1492 9.1730 9.1730 9.9479 9.9479 9.9648 9.9868 k = 0.2639 0.3143 0.6124 ( 7674 PWs) bands (ev): -61.9314 -61.9314 -34.7878 -34.7878 -26.0716 -26.0716 -26.0716 -26.0716 -5.7097 -5.7097 -5.5346 -5.5173 -5.5173 -5.5136 -5.4789 -5.4789 -5.2848 -5.2848 -5.2832 -5.2813 -5.2267 -5.2267 -5.1340 -5.1340 -5.0155 -4.9883 -4.9883 -4.9814 -3.1294 -3.1294 -3.1209 -3.1206 -3.1198 -3.1198 -3.0797 -3.0797 -3.0765 -3.0742 -3.0728 -3.0728 -3.0281 -3.0247 -3.0247 -3.0178 -2.9813 -2.9813 1.0697 1.0706 1.0706 1.0721 1.1698 1.1698 2.8302 2.8302 3.2615 3.2667 3.2742 3.2742 3.7694 3.7694 3.8298 3.8327 3.8327 3.8374 4.7783 4.7783 4.8293 4.8346 4.9285 4.9285 5.3620 5.3620 5.4723 5.4723 5.5117 5.5153 8.3563 8.3563 8.3589 8.3605 8.9166 8.9166 9.0466 9.1118 9.1423 9.1423 9.2059 9.2059 9.9235 9.9235 9.9578 10.0035 k = 0.2708 0.2946 0.6124 ( 7680 PWs) bands (ev): -61.9314 -61.9314 -34.7878 -34.7878 -26.0716 -26.0716 -26.0716 -26.0716 -5.7109 -5.7109 -5.5405 -5.5154 -5.5154 -5.5096 -5.4788 -5.4788 -5.2852 -5.2852 -5.2830 -5.2801 -5.2280 -5.2280 -5.1332 -5.1332 -5.0263 -4.9850 -4.9850 -4.9761 -3.1324 -3.1324 -3.1193 -3.1192 -3.1192 -3.1188 -3.0806 -3.0806 -3.0773 -3.0745 -3.0716 -3.0716 -3.0301 -3.0251 -3.0251 -3.0143 -2.9808 -2.9808 1.0508 1.0521 1.0521 1.0543 1.2078 1.2078 2.8273 2.8273 3.2566 3.2649 3.2756 3.2756 3.7726 3.7726 3.8326 3.8366 3.8366 3.8446 4.7641 4.7641 4.8128 4.8205 4.9633 4.9633 5.3259 5.3259 5.4830 5.4830 5.5283 5.5335 8.3480 8.3480 8.3548 8.3587 8.8563 8.8563 9.0578 9.1327 9.1327 9.1501 9.2429 9.2429 9.8962 9.8962 9.9439 10.0129 k = 0.2778 0.2750 0.6124 ( 7680 PWs) bands (ev): -61.9314 -61.9314 -34.7878 -34.7878 -26.0716 -26.0716 -26.0716 -26.0716 -5.7123 -5.7123 -5.5459 -5.5136 -5.5136 -5.5054 -5.4785 -5.4785 -5.2855 -5.2855 -5.2828 -5.2788 -5.2298 -5.2298 -5.1323 -5.1323 -5.0369 -4.9813 -4.9813 -4.9713 -3.1354 -3.1354 -3.1187 -3.1187 -3.1179 -3.1170 -3.0815 -3.0815 -3.0779 -3.0751 -3.0704 -3.0704 -3.0321 -3.0253 -3.0253 -3.0108 -2.9802 -2.9802 1.0303 1.0320 1.0320 1.0348 1.2488 1.2488 2.8231 2.8231 3.2511 3.2627 3.2763 3.2763 3.7775 3.7775 3.8375 3.8418 3.8418 3.8541 4.7519 4.7519 4.7988 4.8088 4.9977 4.9977 5.2840 5.2840 5.4968 5.4968 5.5446 5.5516 8.3367 8.3367 8.3495 8.3568 8.7981 8.7981 9.0679 9.1198 9.1198 9.1832 9.2808 9.2808 9.8691 9.8691 9.9232 10.0135 k = 0.2847 0.2553 0.6124 ( 7686 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0716 -26.0716 -26.0716 -26.0716 -5.7138 -5.7138 -5.5507 -5.5118 -5.5118 -5.5011 -5.4780 -5.4780 -5.2857 -5.2857 -5.2827 -5.2776 -5.2318 -5.2318 -5.1315 -5.1315 -5.0474 -4.9774 -4.9774 -4.9671 -3.1384 -3.1384 -3.1183 -3.1183 -3.1165 -3.1153 -3.0827 -3.0827 -3.0784 -3.0758 -3.0691 -3.0691 -3.0340 -3.0255 -3.0255 -3.0072 -2.9793 -2.9793 1.0082 1.0102 1.0102 1.0137 1.2927 1.2927 2.8175 2.8175 3.2451 3.2601 3.2760 3.2760 3.7845 3.7845 3.8449 3.8479 3.8479 3.8663 4.7424 4.7424 4.7876 4.7999 5.0310 5.0310 5.2390 5.2390 5.5115 5.5115 5.5606 5.5692 8.3224 8.3224 8.3435 8.3550 8.7437 8.7437 9.0771 9.1030 9.1030 9.2109 9.3179 9.3179 9.8444 9.8444 9.8964 10.0042 k = 0.2917 0.2357 0.6124 ( 7698 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0716 -26.0716 -26.0716 -26.0716 -5.7154 -5.7154 -5.5548 -5.5102 -5.5102 -5.4966 -5.4774 -5.4774 -5.2857 -5.2857 -5.2825 -5.2763 -5.2341 -5.2341 -5.1310 -5.1310 -5.0576 -4.9732 -4.9732 -4.9634 -3.1415 -3.1415 -3.1181 -3.1181 -3.1152 -3.1136 -3.0839 -3.0839 -3.0788 -3.0767 -3.0679 -3.0679 -3.0359 -3.0255 -3.0255 -3.0036 -2.9784 -2.9784 0.9845 0.9868 0.9868 0.9908 1.3396 1.3396 2.8107 2.8107 3.2387 3.2569 3.2747 3.2747 3.7938 3.7938 3.8544 3.8544 3.8551 3.8810 4.7360 4.7360 4.7795 4.7940 5.0630 5.0630 5.1926 5.1926 5.5265 5.5265 5.5759 5.5860 8.3052 8.3052 8.3370 8.3535 8.6944 8.6944 9.0819 9.0819 9.0851 9.2333 9.3531 9.3531 9.8234 9.8234 9.8650 9.9856 k = 0.2986 0.2161 0.6124 ( 7698 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0716 -26.0716 -26.0716 -26.0716 -5.7168 -5.7168 -5.5584 -5.5086 -5.5086 -5.4920 -5.4764 -5.4764 -5.2855 -5.2855 -5.2824 -5.2751 -5.2364 -5.2364 -5.1307 -5.1307 -5.0677 -4.9690 -4.9690 -4.9603 -3.1445 -3.1445 -3.1180 -3.1180 -3.1141 -3.1119 -3.0853 -3.0853 -3.0791 -3.0776 -3.0667 -3.0667 -3.0378 -3.0254 -3.0254 -3.0002 -2.9773 -2.9773 0.9590 0.9617 0.9617 0.9662 1.3892 1.3892 2.8027 2.8027 3.2318 3.2531 3.2724 3.2724 3.8056 3.8056 3.8608 3.8608 3.8683 3.8985 4.7329 4.7329 4.7744 4.7913 5.0925 5.0925 5.1468 5.1468 5.5411 5.5411 5.5905 5.6020 8.2855 8.2855 8.3302 8.3525 8.6509 8.6509 9.0567 9.0567 9.0918 9.2499 9.3858 9.3858 9.8064 9.8064 9.8305 9.9592 k = 0.3056 0.1964 0.6124 ( 7704 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0716 -26.0716 -26.0716 -26.0716 -5.7182 -5.7182 -5.5613 -5.5072 -5.5072 -5.4872 -5.4752 -5.4752 -5.2853 -5.2853 -5.2823 -5.2738 -5.2388 -5.2388 -5.1307 -5.1307 -5.0774 -4.9649 -4.9649 -4.9578 -3.1475 -3.1475 -3.1181 -3.1181 -3.1132 -3.1103 -3.0868 -3.0868 -3.0792 -3.0785 -3.0656 -3.0656 -3.0396 -3.0252 -3.0252 -2.9968 -2.9762 -2.9762 0.9320 0.9350 0.9350 0.9398 1.4414 1.4414 2.7937 2.7937 3.2247 3.2486 3.2690 3.2690 3.8195 3.8195 3.8666 3.8666 3.8846 3.9185 4.7333 4.7333 4.7725 4.7918 5.0933 5.0933 5.1290 5.1290 5.5551 5.5551 5.6041 5.6170 8.2635 8.2635 8.3235 8.3522 8.6135 8.6135 9.0276 9.0276 9.0965 9.2603 9.4154 9.4154 9.7933 9.7933 9.7949 9.9273 k = 0.3125 0.1768 0.6124 ( 7725 PWs) bands (ev): -61.9315 -61.9315 -34.7879 -34.7879 -26.0717 -26.0717 -26.0717 -26.0717 -5.7194 -5.7194 -5.5636 -5.5058 -5.5058 -5.4823 -5.4737 -5.4737 -5.2848 -5.2848 -5.2822 -5.2726 -5.2413 -5.2413 -5.1311 -5.1311 -5.0868 -4.9609 -4.9609 -4.9559 -3.1505 -3.1505 -3.1182 -3.1182 -3.1125 -3.1087 -3.0885 -3.0885 -3.0793 -3.0793 -3.0646 -3.0646 -3.0413 -3.0249 -3.0249 -2.9937 -2.9750 -2.9750 0.9035 0.9067 0.9067 0.9118 1.4960 1.4960 2.7841 2.7841 3.2174 3.2434 3.2646 3.2646 3.8347 3.8347 3.8721 3.8721 3.9042 3.9412 4.7371 4.7371 4.7737 4.7956 5.0510 5.0510 5.1544 5.1544 5.5684 5.5684 5.6168 5.6308 8.2397 8.2397 8.3171 8.3525 8.5821 8.5821 8.9953 8.9953 9.0988 9.2640 9.4417 9.4417 9.7600 9.7831 9.7831 9.8921 k = 0.3194 0.1571 0.6124 ( 7707 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0716 -26.0716 -26.0716 -26.0716 -5.7202 -5.7202 -5.5652 -5.5045 -5.5045 -5.4773 -5.4720 -5.4720 -5.2842 -5.2842 -5.2821 -5.2713 -5.2437 -5.2437 -5.1317 -5.1317 -5.0960 -4.9571 -4.9571 -4.9545 -3.1535 -3.1535 -3.1184 -3.1184 -3.1119 -3.1071 -3.0902 -3.0902 -3.0801 -3.0793 -3.0637 -3.0637 -3.0429 -3.0244 -3.0244 -2.9908 -2.9738 -2.9738 0.8736 0.8769 0.8769 0.8822 1.5527 1.5527 2.7741 2.7741 3.2100 3.2376 3.2593 3.2593 3.8477 3.8477 3.8799 3.8799 3.9269 3.9663 4.7443 4.7443 4.7780 4.8026 5.0087 5.0087 5.1807 5.1807 5.5808 5.5808 5.6284 5.6434 8.2149 8.2149 8.3111 8.3538 8.5563 8.5563 8.9606 8.9606 9.0981 9.2602 9.4647 9.4647 9.7277 9.7747 9.7747 9.8561 k = 0.3264 0.1375 0.6124 ( 7725 PWs) bands (ev): -61.9315 -61.9315 -34.7879 -34.7879 -26.0717 -26.0717 -26.0716 -26.0716 -5.7208 -5.7208 -5.5663 -5.5032 -5.5032 -5.4722 -5.4701 -5.4701 -5.2835 -5.2835 -5.2820 -5.2701 -5.2461 -5.2461 -5.1327 -5.1327 -5.1047 -4.9538 -4.9537 -4.9537 -3.1565 -3.1565 -3.1187 -3.1187 -3.1116 -3.1056 -3.0920 -3.0920 -3.0807 -3.0793 -3.0630 -3.0630 -3.0445 -3.0238 -3.0238 -2.9881 -2.9726 -2.9726 0.8424 0.8458 0.8458 0.8513 1.6112 1.6112 2.7641 2.7641 3.2027 3.2313 3.2534 3.2534 3.8524 3.8524 3.8953 3.8953 3.9526 3.9937 4.7548 4.7548 4.7853 4.8129 4.9691 4.9691 5.2058 5.2058 5.5923 5.5923 5.6388 5.6547 8.1896 8.1896 8.3058 8.3558 8.5353 8.5353 8.9246 8.9246 9.0935 9.2484 9.4844 9.4844 9.6994 9.7665 9.7665 9.8212 k = 0.3333 0.1179 0.6124 ( 7728 PWs) bands (ev): -61.9315 -61.9315 -34.7879 -34.7879 -26.0717 -26.0717 -26.0717 -26.0717 -5.7211 -5.7211 -5.5667 -5.5019 -5.5019 -5.4680 -5.4680 -5.4671 -5.2826 -5.2826 -5.2820 -5.2689 -5.2483 -5.2483 -5.1339 -5.1339 -5.1131 -4.9536 -4.9507 -4.9507 -3.1594 -3.1594 -3.1191 -3.1191 -3.1115 -3.1042 -3.0939 -3.0939 -3.0812 -3.0792 -3.0623 -3.0623 -3.0459 -3.0231 -3.0231 -2.9856 -2.9714 -2.9714 0.8101 0.8136 0.8136 0.8191 1.6711 1.6711 2.7546 2.7546 3.1954 3.2247 3.2470 3.2470 3.8484 3.8484 3.9175 3.9175 3.9811 4.0231 4.7685 4.7685 4.7956 4.8264 4.9332 4.9332 5.2296 5.2296 5.6027 5.6027 5.6481 5.6647 8.1643 8.1643 8.3012 8.3588 8.5184 8.5184 8.8882 8.8882 9.0846 9.2286 9.5013 9.5013 9.6761 9.7573 9.7573 9.7890 k = 0.3403 0.0982 0.6124 ( 7719 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0717 -26.0717 -26.0716 -26.0716 -5.7209 -5.7209 -5.5664 -5.5006 -5.5006 -5.4658 -5.4658 -5.4619 -5.2819 -5.2815 -5.2815 -5.2677 -5.2504 -5.2504 -5.1354 -5.1354 -5.1209 -4.9540 -4.9483 -4.9483 -3.1623 -3.1623 -3.1195 -3.1195 -3.1117 -3.1028 -3.0958 -3.0958 -3.0816 -3.0792 -3.0616 -3.0616 -3.0471 -3.0224 -3.0224 -2.9835 -2.9703 -2.9703 0.7769 0.7805 0.7805 0.7859 1.7320 1.7320 2.7462 2.7462 3.1883 3.2178 3.2402 3.2402 3.8381 3.8381 3.9435 3.9435 4.0120 4.0543 4.7852 4.7852 4.8087 4.8429 4.9014 4.9014 5.2521 5.2521 5.6120 5.6120 5.6562 5.6734 8.1396 8.1396 8.2975 8.3627 8.5048 8.5048 8.8527 8.8527 9.0711 9.2014 9.5154 9.5154 9.6578 9.7458 9.7458 9.7607 k = 0.3472 0.0786 0.6124 ( 7725 PWs) bands (ev): -61.9315 -61.9315 -34.7879 -34.7879 -26.0717 -26.0717 -26.0716 -26.0716 -5.7204 -5.7204 -5.5656 -5.4993 -5.4993 -5.4636 -5.4636 -5.4568 -5.2819 -5.2804 -5.2804 -5.2667 -5.2522 -5.2522 -5.1370 -5.1370 -5.1283 -4.9550 -4.9465 -4.9465 -3.1652 -3.1652 -3.1200 -3.1200 -3.1121 -3.1016 -3.0977 -3.0977 -3.0817 -3.0791 -3.0611 -3.0611 -3.0481 -3.0216 -3.0216 -2.9816 -2.9693 -2.9693 0.7431 0.7466 0.7466 0.7520 1.7931 1.7931 2.7395 2.7395 3.1815 3.2107 3.2334 3.2334 3.8226 3.8226 3.9717 3.9717 4.0451 4.0868 4.8044 4.8044 4.8247 4.8625 4.8744 4.8744 5.2731 5.2731 5.6203 5.6203 5.6631 5.6808 8.1155 8.1155 8.2946 8.3673 8.4938 8.4938 8.8190 8.8190 9.0527 9.1679 9.5272 9.5272 9.6440 9.7313 9.7313 9.7368 k = 0.3542 0.0589 0.6124 ( 7725 PWs) bands (ev): -61.9315 -61.9315 -34.7879 -34.7879 -26.0717 -26.0717 -26.0717 -26.0717 -5.7195 -5.7195 -5.5642 -5.4980 -5.4980 -5.4613 -5.4613 -5.4516 -5.2820 -5.2791 -5.2791 -5.2658 -5.2537 -5.2537 -5.1388 -5.1388 -5.1351 -4.9565 -4.9453 -4.9453 -3.1681 -3.1681 -3.1205 -3.1205 -3.1127 -3.1006 -3.0995 -3.0995 -3.0817 -3.0791 -3.0607 -3.0607 -3.0489 -3.0208 -3.0208 -2.9801 -2.9684 -2.9684 0.7088 0.7123 0.7123 0.7175 1.8538 1.8538 2.7351 2.7351 3.1750 3.2037 3.2266 3.2266 3.8022 3.8022 4.0012 4.0012 4.0799 4.1204 4.8229 4.8229 4.8434 4.8553 4.8553 4.8850 5.2927 5.2927 5.6274 5.6274 5.6689 5.6868 8.0920 8.0920 8.2925 8.3728 8.4847 8.4847 8.7881 8.7881 9.0299 9.1297 9.5366 9.5366 9.6336 9.7137 9.7137 9.7173 k = 0.3611 0.0393 0.6124 ( 7725 PWs) bands (ev): -61.9315 -61.9315 -34.7879 -34.7879 -26.0717 -26.0717 -26.0717 -26.0717 -5.7182 -5.7182 -5.5622 -5.4967 -5.4967 -5.4590 -5.4590 -5.4466 -5.2820 -5.2779 -5.2779 -5.2650 -5.2548 -5.2548 -5.1413 -5.1408 -5.1408 -4.9585 -4.9448 -4.9448 -3.1709 -3.1709 -3.1210 -3.1210 -3.1135 -3.1013 -3.1013 -3.0997 -3.0816 -3.0791 -3.0604 -3.0604 -3.0493 -3.0199 -3.0199 -2.9788 -2.9676 -2.9676 0.6742 0.6777 0.6777 0.6827 1.9131 1.9131 2.7342 2.7342 3.1690 3.1968 3.2200 3.2200 3.7774 3.7774 4.0315 4.0315 4.1159 4.1546 4.8217 4.8217 4.8625 4.8625 4.8647 4.9103 5.3110 5.3110 5.6335 5.6335 5.6736 5.6914 8.0689 8.0689 8.2912 8.3788 8.4769 8.4769 8.7608 8.7608 9.0034 9.0884 9.5439 9.5439 9.6256 9.6931 9.6931 9.7020 k = 0.3681 0.0196 0.6124 ( 7716 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0717 -26.0717 -26.0716 -26.0716 -5.7164 -5.7164 -5.5596 -5.4953 -5.4953 -5.4569 -5.4569 -5.4417 -5.2820 -5.2768 -5.2768 -5.2644 -5.2552 -5.2552 -5.1467 -5.1428 -5.1428 -4.9611 -4.9451 -4.9451 -3.1737 -3.1737 -3.1215 -3.1215 -3.1144 -3.1030 -3.1030 -3.0992 -3.0813 -3.0790 -3.0602 -3.0602 -3.0495 -3.0190 -3.0190 -2.9779 -2.9669 -2.9669 0.6397 0.6430 0.6430 0.6478 1.9699 1.9699 2.7376 2.7376 3.1633 3.1900 3.2137 3.2137 3.7489 3.7489 4.0620 4.0620 4.1527 4.1892 4.8075 4.8075 4.8887 4.8887 4.8888 4.9383 5.3280 5.3280 5.6386 5.6386 5.6772 5.6949 8.0459 8.0459 8.2905 8.3852 8.4699 8.4699 8.7377 8.7377 8.9742 9.0455 9.5491 9.5491 9.6188 9.6701 9.6701 9.6899 k = 0.3750-0.0000 0.6124 ( 7743 PWs) bands (ev): -61.9315 -61.9315 -34.7879 -34.7879 -26.0717 -26.0717 -26.0717 -26.0717 -5.7143 -5.7143 -5.5566 -5.4940 -5.4940 -5.4548 -5.4548 -5.4370 -5.2821 -5.2760 -5.2760 -5.2641 -5.2547 -5.2547 -5.1514 -5.1448 -5.1448 -4.9642 -4.9461 -4.9461 -3.1764 -3.1764 -3.1219 -3.1219 -3.1155 -3.1047 -3.1047 -3.0990 -3.0809 -3.0790 -3.0601 -3.0601 -3.0493 -3.0182 -3.0182 -2.9772 -2.9664 -2.9664 0.6054 0.6086 0.6086 0.6132 2.0229 2.0229 2.7465 2.7465 3.1581 3.1836 3.2078 3.2078 3.7172 3.7172 4.0924 4.0924 4.1899 4.2236 4.7938 4.7938 4.9154 4.9196 4.9196 4.9689 5.3437 5.3437 5.6427 5.6427 5.6797 5.6970 8.0226 8.0226 8.2902 8.3917 8.4632 8.4632 8.7192 8.7192 8.9433 9.0021 9.5522 9.5522 9.6125 9.6454 9.6454 9.6802 k = 0.3819-0.0196 0.6124 ( 7722 PWs) bands (ev): -61.9315 -61.9315 -34.7879 -34.7879 -26.0717 -26.0717 -26.0716 -26.0716 -5.7118 -5.7118 -5.5530 -5.4926 -5.4926 -5.4529 -5.4529 -5.4326 -5.2822 -5.2758 -5.2758 -5.2641 -5.2532 -5.2532 -5.1551 -5.1468 -5.1468 -4.9678 -4.9480 -4.9480 -3.1791 -3.1791 -3.1224 -3.1224 -3.1166 -3.1061 -3.1061 -3.0991 -3.0805 -3.0788 -3.0602 -3.0602 -3.0487 -3.0173 -3.0173 -2.9769 -2.9660 -2.9660 0.5716 0.5746 0.5746 0.5789 2.0707 2.0707 2.7621 2.7621 3.1534 3.1775 3.2024 3.2024 3.6833 3.6833 4.1221 4.1221 4.2269 4.2576 4.7815 4.7815 4.9444 4.9533 4.9533 5.0017 5.3582 5.3582 5.6458 5.6458 5.6813 5.6981 7.9989 7.9989 8.2902 8.3980 8.4565 8.4565 8.7055 8.7055 8.9120 8.9594 9.5531 9.5531 9.6060 9.6201 9.6201 9.6720 k = 0.3889-0.0393 0.6124 ( 7716 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0717 -26.0717 -26.0716 -26.0716 -5.7090 -5.7090 -5.5489 -5.4913 -5.4913 -5.4512 -5.4512 -5.4285 -5.2823 -5.2759 -5.2759 -5.2645 -5.2507 -5.2507 -5.1579 -5.1488 -5.1488 -4.9719 -4.9506 -4.9506 -3.1817 -3.1817 -3.1227 -3.1227 -3.1177 -3.1075 -3.1075 -3.0997 -3.0800 -3.0786 -3.0603 -3.0603 -3.0478 -3.0164 -3.0164 -2.9769 -2.9658 -2.9658 0.5385 0.5413 0.5413 0.5453 2.1123 2.1123 2.7852 2.7852 3.1491 3.1717 3.1975 3.1975 3.6480 3.6480 4.1509 4.1509 4.2633 4.2908 4.7702 4.7702 4.9759 4.9894 4.9894 5.0367 5.3716 5.3716 5.6480 5.6480 5.6819 5.6980 7.9747 7.9747 8.2901 8.4038 8.4493 8.4493 8.6961 8.6961 8.8812 8.9182 9.5518 9.5518 9.5952 9.5952 9.5990 9.6642 k = 0.3958-0.0589 0.6124 ( 7722 PWs) bands (ev): -61.9315 -61.9315 -34.7879 -34.7879 -26.0717 -26.0717 -26.0716 -26.0716 -5.7058 -5.7058 -5.5443 -5.4900 -5.4900 -5.4498 -5.4498 -5.4248 -5.2824 -5.2764 -5.2764 -5.2652 -5.2472 -5.2472 -5.1596 -5.1506 -5.1506 -4.9764 -4.9541 -4.9541 -3.1843 -3.1843 -3.1230 -3.1230 -3.1189 -3.1087 -3.1087 -3.1005 -3.0795 -3.0782 -3.0606 -3.0606 -3.0466 -3.0156 -3.0156 -2.9771 -2.9656 -2.9656 0.5063 0.5089 0.5089 0.5126 2.1469 2.1469 2.8162 2.8162 3.1452 3.1664 3.1932 3.1932 3.6121 3.6121 4.1784 4.1784 4.2987 4.3229 4.7594 4.7594 5.0094 5.0272 5.0272 5.0734 5.3838 5.3838 5.6495 5.6495 5.6817 5.6970 7.9501 7.9501 8.2896 8.4086 8.4414 8.4414 8.6906 8.6906 8.8518 8.8795 9.5479 9.5479 9.5719 9.5719 9.5911 9.6561 k = 0.4028-0.0786 0.6124 ( 7710 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0717 -26.0717 -26.0716 -26.0716 -5.7024 -5.7024 -5.5394 -5.4888 -5.4888 -5.4486 -5.4486 -5.4216 -5.2826 -5.2772 -5.2772 -5.2663 -5.2429 -5.2429 -5.1602 -5.1521 -5.1521 -4.9814 -4.9584 -4.9584 -3.1867 -3.1867 -3.1232 -3.1232 -3.1200 -3.1098 -3.1098 -3.1017 -3.0789 -3.0778 -3.0611 -3.0611 -3.0451 -3.0147 -3.0147 -2.9777 -2.9656 -2.9656 0.4752 0.4777 0.4777 0.4810 2.1743 2.1743 2.8546 2.8546 3.1419 3.1615 3.1896 3.1896 3.5767 3.5767 4.2043 4.2043 4.3327 4.3538 4.7484 4.7484 5.0449 5.0664 5.0664 5.1114 5.3950 5.3950 5.6502 5.6502 5.6808 5.6950 7.9251 7.9251 8.2886 8.4119 8.4325 8.4325 8.6883 8.6883 8.8248 8.8439 9.5393 9.5393 9.5533 9.5533 9.5821 9.6471 k = 0.4097-0.0982 0.6124 ( 7716 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0717 -26.0717 -26.0716 -26.0716 -5.6987 -5.6987 -5.5340 -5.4877 -5.4877 -5.4477 -5.4477 -5.4189 -5.2827 -5.2780 -5.2780 -5.2677 -5.2380 -5.2380 -5.1597 -5.1534 -5.1534 -4.9868 -4.9635 -4.9635 -3.1891 -3.1891 -3.1234 -3.1234 -3.1211 -3.1107 -3.1107 -3.1032 -3.0784 -3.0773 -3.0617 -3.0617 -3.0434 -3.0139 -3.0139 -2.9785 -2.9657 -2.9657 0.4454 0.4477 0.4477 0.4507 2.1949 2.1949 2.8994 2.8994 3.1389 3.1570 3.1866 3.1866 3.5428 3.5428 4.2285 4.2285 4.3651 4.3831 4.7368 4.7368 5.0820 5.1065 5.1065 5.1504 5.4052 5.4052 5.6503 5.6503 5.6792 5.6922 7.9002 7.9002 8.2869 8.4131 8.4223 8.4223 8.6886 8.6886 8.8008 8.8122 9.5234 9.5234 9.5426 9.5426 9.5721 9.6367 k = 0.4167-0.1179 0.6124 ( 7710 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0717 -26.0717 -26.0716 -26.0716 -5.6949 -5.6949 -5.5283 -5.4868 -5.4868 -5.4471 -5.4471 -5.4168 -5.2829 -5.2789 -5.2789 -5.2694 -5.2326 -5.2326 -5.1581 -5.1543 -5.1543 -4.9927 -4.9693 -4.9693 -3.1913 -3.1913 -3.1235 -3.1235 -3.1221 -3.1115 -3.1115 -3.1048 -3.0778 -3.0768 -3.0624 -3.0624 -3.0414 -3.0131 -3.0131 -2.9796 -2.9659 -2.9659 0.4171 0.4192 0.4192 0.4219 2.2098 2.2098 2.9483 2.9483 3.1364 3.1529 3.1846 3.1846 3.5115 3.5115 4.2506 4.2506 4.3956 4.4107 4.7244 4.7244 5.1203 5.1469 5.1469 5.1897 5.4144 5.4144 5.6499 5.6499 5.6771 5.6886 7.8756 7.8756 8.2843 8.4109 8.4109 8.4119 8.6906 8.6906 8.7800 8.7847 9.5064 9.5064 9.5342 9.5342 9.5611 9.6247 k = 0.4236-0.1375 0.6124 ( 7728 PWs) bands (ev): -61.9315 -61.9315 -34.7879 -34.7879 -26.0717 -26.0717 -26.0717 -26.0717 -5.6909 -5.6909 -5.5223 -5.4859 -5.4859 -5.4468 -5.4468 -5.4155 -5.2831 -5.2797 -5.2797 -5.2712 -5.2270 -5.2270 -5.1555 -5.1546 -5.1546 -4.9989 -4.9759 -4.9759 -3.1934 -3.1934 -3.1235 -3.1235 -3.1230 -3.1121 -3.1120 -3.1065 -3.0773 -3.0764 -3.0633 -3.0633 -3.0392 -3.0124 -3.0124 -2.9810 -2.9662 -2.9662 0.3905 0.3923 0.3923 0.3948 2.2199 2.2199 2.9985 2.9985 3.1342 3.1492 3.1837 3.1837 3.4845 3.4845 4.2705 4.2705 4.4240 4.4365 4.7108 4.7108 5.1593 5.1870 5.1870 5.2289 5.4227 5.4227 5.6491 5.6491 5.6744 5.6845 7.8517 7.8517 8.2808 8.3980 8.3980 8.4078 8.6937 8.6937 8.7619 8.7627 9.4910 9.4910 9.5258 9.5258 9.5493 9.6109 k = 0.4306-0.1571 0.6124 ( 7713 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0717 -26.0717 -26.0717 -26.0717 -5.6869 -5.6869 -5.5161 -5.4853 -5.4853 -5.4467 -5.4466 -5.4148 -5.2832 -5.2805 -5.2805 -5.2731 -5.2213 -5.2213 -5.1541 -5.1541 -5.1520 -5.0054 -4.9832 -4.9832 -3.1954 -3.1954 -3.1238 -3.1235 -3.1235 -3.1124 -3.1124 -3.1084 -3.0768 -3.0759 -3.0643 -3.0643 -3.0368 -3.0117 -3.0117 -2.9826 -2.9665 -2.9665 0.3656 0.3673 0.3673 0.3695 2.2265 2.2265 3.0461 3.0461 3.1324 3.1458 3.1845 3.1845 3.4638 3.4638 4.2880 4.2880 4.4502 4.4603 4.6961 4.6961 5.1985 5.2263 5.2263 5.2673 5.4301 5.4301 5.6481 5.6481 5.6715 5.6799 7.8289 7.8289 8.2766 8.3839 8.3839 8.4008 8.6974 8.6974 8.7439 8.7489 9.4775 9.4775 9.5172 9.5172 9.5369 9.5957 k = 0.4375-0.1768 0.6124 ( 7719 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0717 -26.0717 -26.0717 -26.0717 -5.6829 -5.6829 -5.5096 -5.4848 -5.4848 -5.4467 -5.4467 -5.4150 -5.2834 -5.2812 -5.2812 -5.2750 -5.2158 -5.2158 -5.1526 -5.1526 -5.1476 -5.0123 -4.9912 -4.9912 -3.1972 -3.1972 -3.1245 -3.1234 -3.1234 -3.1126 -3.1126 -3.1102 -3.0763 -3.0754 -3.0654 -3.0654 -3.0343 -3.0110 -3.0110 -2.9844 -2.9669 -2.9669 0.3428 0.3442 0.3442 0.3461 2.2304 2.2304 3.0861 3.0861 3.1309 3.1429 3.1877 3.1878 3.4525 3.4525 4.3028 4.3028 4.4740 4.4822 4.6803 4.6803 5.2373 5.2640 5.2640 5.3043 5.4368 5.4368 5.6469 5.6469 5.6682 5.6749 7.8074 7.8074 8.2721 8.3689 8.3689 8.3911 8.7011 8.7011 8.7303 8.7383 9.4658 9.4658 9.5087 9.5087 9.5242 9.5792 k = 0.4444-0.1964 0.6124 ( 7725 PWs) bands (ev): -61.9315 -61.9315 -34.7879 -34.7879 -26.0717 -26.0717 -26.0717 -26.0717 -5.6790 -5.6790 -5.5029 -5.4845 -5.4845 -5.4469 -5.4469 -5.4159 -5.2836 -5.2818 -5.2818 -5.2768 -5.2109 -5.2109 -5.1498 -5.1498 -5.1425 -5.0196 -4.9998 -4.9998 -3.1989 -3.1989 -3.1251 -3.1234 -3.1234 -3.1126 -3.1126 -3.1121 -3.0759 -3.0751 -3.0666 -3.0666 -3.0316 -3.0104 -3.0104 -2.9864 -2.9673 -2.9673 0.3220 0.3233 0.3233 0.3249 2.2325 2.2325 3.1136 3.1136 3.1297 3.1402 3.1936 3.1936 3.4543 3.4543 4.3147 4.3147 4.4955 4.5020 4.6638 4.6638 5.2751 5.2995 5.2995 5.3392 5.4427 5.4427 5.6457 5.6457 5.6648 5.6698 7.7875 7.7875 8.2675 8.3534 8.3534 8.3791 8.7044 8.7044 8.7207 8.7304 9.4557 9.4557 9.5006 9.5006 9.5116 9.5618 k = 0.4514-0.2161 0.6124 ( 7713 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0717 -26.0717 -26.0717 -26.0717 -5.6752 -5.6752 -5.4960 -5.4843 -5.4843 -5.4472 -5.4472 -5.4177 -5.2838 -5.2824 -5.2824 -5.2784 -5.2067 -5.2067 -5.1456 -5.1456 -5.1367 -5.0270 -5.0090 -5.0090 -3.2003 -3.2003 -3.1255 -3.1234 -3.1234 -3.1139 -3.1123 -3.1123 -3.0755 -3.0747 -3.0679 -3.0679 -3.0288 -3.0098 -3.0098 -2.9886 -2.9677 -2.9677 0.3034 0.3045 0.3045 0.3059 2.2333 2.2333 3.1282 3.1282 3.1287 3.1379 3.1992 3.1992 3.4711 3.4711 4.3235 4.3235 4.5146 4.5196 4.6470 4.6470 5.3113 5.3322 5.3322 5.3714 5.4479 5.4479 5.6446 5.6446 5.6614 5.6646 7.7696 7.7696 8.2633 8.3380 8.3380 8.3655 8.7072 8.7072 8.7143 8.7248 9.4469 9.4469 9.4930 9.4930 9.4995 9.5442 k = 0.4583-0.2357 0.6124 ( 7704 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0716 -26.0716 -26.0716 -26.0716 -5.6718 -5.6718 -5.4891 -5.4843 -5.4843 -5.4475 -5.4475 -5.4202 -5.2840 -5.2829 -5.2829 -5.2799 -5.2035 -5.2035 -5.1398 -5.1398 -5.1303 -5.0348 -5.0187 -5.0187 -3.2016 -3.2016 -3.1258 -3.1234 -3.1234 -3.1157 -3.1119 -3.1119 -3.0751 -3.0744 -3.0691 -3.0691 -3.0259 -3.0093 -3.0093 -2.9910 -2.9681 -2.9681 0.2871 0.2880 0.2880 0.2892 2.2333 2.2333 3.1281 3.1341 3.1341 3.1358 3.2011 3.2011 3.5008 3.5008 4.3289 4.3289 4.5312 4.5350 4.6306 4.6306 5.3452 5.3614 5.3614 5.4002 5.4525 5.4525 5.6438 5.6438 5.6580 5.6595 7.7537 7.7537 8.2600 8.3232 8.3232 8.3510 8.7093 8.7093 8.7105 8.7210 9.4396 9.4396 9.4859 9.4859 9.4883 9.5269 k = 0.4653-0.2553 0.6124 ( 7703 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0716 -26.0716 -26.0716 -26.0716 -5.6686 -5.6686 -5.4845 -5.4845 -5.4821 -5.4478 -5.4478 -5.4235 -5.2841 -5.2832 -5.2832 -5.2811 -5.2012 -5.2012 -5.1326 -5.1326 -5.1234 -5.0427 -5.0288 -5.0288 -3.2027 -3.2027 -3.1259 -3.1235 -3.1235 -3.1174 -3.1114 -3.1114 -3.0748 -3.0742 -3.0704 -3.0704 -3.0230 -3.0089 -3.0089 -2.9936 -2.9684 -2.9684 0.2731 0.2739 0.2739 0.2749 2.2329 2.2329 3.1276 3.1341 3.1355 3.1355 3.1992 3.1992 3.5380 3.5380 4.3310 4.3310 4.5453 4.5481 4.6154 4.6154 5.3762 5.3866 5.3866 5.4250 5.4566 5.4566 5.6432 5.6432 5.6546 5.6547 7.7400 7.7400 8.2580 8.3096 8.3096 8.3362 8.7085 8.7106 8.7106 8.7183 9.4336 9.4336 9.4783 9.4794 9.4794 9.5106 k = 0.4722-0.2750 0.6124 ( 7697 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0716 -26.0716 -26.0716 -26.0716 -5.6659 -5.6659 -5.4847 -5.4847 -5.4752 -5.4481 -5.4481 -5.4274 -5.2842 -5.2836 -5.2836 -5.2820 -5.1996 -5.1996 -5.1241 -5.1241 -5.1160 -5.0508 -5.0393 -5.0393 -3.2036 -3.2036 -3.1258 -3.1235 -3.1235 -3.1189 -3.1109 -3.1109 -3.0745 -3.0740 -3.0715 -3.0715 -3.0200 -3.0085 -3.0085 -2.9962 -2.9687 -2.9687 0.2617 0.2623 0.2623 0.2630 2.2323 2.2323 3.1274 3.1325 3.1346 3.1346 3.1955 3.1955 3.5768 3.5768 4.3300 4.3300 4.5569 4.5589 4.6022 4.6022 5.4039 5.4073 5.4073 5.4451 5.4602 5.4602 5.6430 5.6430 5.6505 5.6515 7.7287 7.7287 8.2575 8.2978 8.2978 8.3217 8.7078 8.7112 8.7112 8.7164 9.4292 9.4292 9.4701 9.4735 9.4735 9.4959 k = 0.4792-0.2946 0.6124 ( 7694 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0717 -26.0717 -26.0716 -26.0716 -5.6637 -5.6637 -5.4849 -5.4849 -5.4683 -5.4483 -5.4483 -5.4320 -5.2843 -5.2838 -5.2838 -5.2828 -5.1986 -5.1986 -5.1148 -5.1148 -5.1084 -5.0591 -5.0501 -5.0501 -3.2044 -3.2044 -3.1255 -3.1236 -3.1236 -3.1203 -3.1103 -3.1103 -3.0743 -3.0739 -3.0725 -3.0725 -3.0169 -3.0082 -3.0082 -2.9990 -2.9690 -2.9690 0.2527 0.2532 0.2532 0.2537 2.2317 2.2317 3.1274 3.1312 3.1327 3.1327 3.1917 3.1917 3.6124 3.6124 4.3268 4.3268 4.5659 4.5674 4.5916 4.5916 5.4230 5.4230 5.4275 5.4600 5.4636 5.4636 5.6430 5.6430 5.6470 5.6487 7.7198 7.7198 8.2590 8.2882 8.2882 8.3081 8.7080 8.7114 8.7114 8.7150 9.4261 9.4261 9.4640 9.4684 9.4684 9.4831 k = 0.4861-0.3143 0.6124 ( 7712 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0717 -26.0717 -26.0717 -26.0717 -5.6621 -5.6621 -5.4851 -5.4851 -5.4615 -5.4485 -5.4485 -5.4371 -5.2843 -5.2840 -5.2840 -5.2834 -5.1980 -5.1980 -5.1047 -5.1047 -5.1005 -5.0674 -5.0611 -5.0611 -3.2049 -3.2049 -3.1251 -3.1237 -3.1237 -3.1216 -3.1099 -3.1099 -3.0741 -3.0738 -3.0732 -3.0732 -3.0139 -3.0080 -3.0080 -3.0019 -2.9692 -2.9692 0.2464 0.2467 0.2467 0.2470 2.2312 2.2312 3.1276 3.1301 3.1306 3.1306 3.1888 3.1888 3.6408 3.6408 4.3227 4.3227 4.5725 4.5734 4.5840 4.5840 5.4337 5.4337 5.4467 5.4665 5.4665 5.4692 5.6432 5.6432 5.6446 5.6463 7.7134 7.7134 8.2624 8.2811 8.2811 8.2956 8.7088 8.7113 8.7113 8.7137 9.4242 9.4242 9.4602 9.4644 9.4644 9.4729 k = 0.4931-0.3339 0.6124 ( 7712 PWs) bands (ev): -61.9315 -61.9315 -34.7879 -34.7879 -26.0717 -26.0717 -26.0717 -26.0717 -5.6611 -5.6611 -5.4853 -5.4853 -5.4550 -5.4486 -5.4486 -5.4427 -5.2843 -5.2841 -5.2841 -5.2838 -5.1977 -5.1977 -5.0941 -5.0941 -5.0923 -5.0757 -5.0721 -5.0721 -3.2052 -3.2052 -3.1245 -3.1237 -3.1237 -3.1228 -3.1096 -3.1096 -3.0740 -3.0738 -3.0737 -3.0737 -3.0108 -3.0079 -3.0079 -3.0048 -2.9693 -2.9693 0.2426 0.2428 0.2428 0.2429 2.2309 2.2309 3.1280 3.1291 3.1291 3.1292 3.1870 3.1870 3.6592 3.6592 4.3192 4.3192 4.5765 4.5769 4.5795 4.5795 5.4397 5.4397 5.4608 5.4687 5.4687 5.4724 5.6434 5.6434 5.6434 5.6444 7.7095 7.7095 8.2678 8.2767 8.2767 8.2845 8.7099 8.7112 8.7112 8.7124 9.4233 9.4233 9.4591 9.4617 9.4617 9.4654 k = 0.5000-0.3536 0.6124 ( 7712 PWs) bands (ev): -61.9315 -61.9315 -34.7879 -34.7879 -26.0717 -26.0717 -26.0717 -26.0717 -5.6607 -5.6607 -5.4854 -5.4854 -5.4487 -5.4487 -5.4487 -5.4487 -5.2841 -5.2841 -5.2841 -5.2841 -5.1976 -5.1976 -5.0841 -5.0841 -5.0841 -5.0841 -5.0823 -5.0823 -3.2053 -3.2053 -3.1237 -3.1237 -3.1237 -3.1237 -3.1095 -3.1095 -3.0739 -3.0739 -3.0739 -3.0739 -3.0078 -3.0078 -3.0078 -3.0078 -2.9693 -2.9693 0.2414 0.2414 0.2414 0.2414 2.2307 2.2307 3.1285 3.1285 3.1285 3.1285 3.1864 3.1864 3.6656 3.6656 4.3179 4.3179 4.5780 4.5780 4.5780 4.5780 5.4416 5.4416 5.4695 5.4695 5.4695 5.4695 5.6434 5.6434 5.6434 5.6434 7.7082 7.7082 8.2752 8.2752 8.2752 8.2752 8.7111 8.7111 8.7111 8.7111 9.4231 9.4231 9.4608 9.4608 9.4608 9.4608 k = 0.2500 0.3536 0.6124 ( 7656 PWs) bands (ev): -61.9314 -61.9314 -34.7877 -34.7877 -26.0716 -26.0716 -26.0716 -26.0716 -5.7086 -5.7086 -5.5211 -5.5211 -5.5211 -5.5211 -5.4789 -5.4789 -5.2836 -5.2836 -5.2836 -5.2836 -5.2254 -5.2254 -5.1349 -5.1349 -4.9936 -4.9936 -4.9936 -4.9936 -3.1242 -3.1242 -3.1242 -3.1242 -3.1210 -3.1210 -3.0789 -3.0789 -3.0744 -3.0744 -3.0744 -3.0744 -3.0240 -3.0240 -3.0240 -3.0240 -2.9817 -2.9817 1.1033 1.1033 1.1033 1.1033 1.1035 1.1035 2.8323 2.8323 3.2698 3.2698 3.2698 3.2698 3.7671 3.7671 3.8297 3.8297 3.8297 3.8297 4.8007 4.8007 4.8677 4.8677 4.8677 4.8677 5.3947 5.3947 5.4797 5.4797 5.4797 5.4797 8.3628 8.3628 8.3628 8.3628 9.0209 9.0209 9.0209 9.0209 9.1537 9.1537 9.1547 9.1547 9.9652 9.9652 9.9652 9.9652 k = 0.2381 0.3367 0.6124 ( 7676 PWs) bands (ev): -61.9314 -61.9314 -34.7878 -34.7878 -26.0716 -26.0716 -26.0716 -26.0716 -5.7089 -5.7089 -5.5252 -5.5252 -5.5168 -5.5168 -5.4789 -5.4789 -5.2844 -5.2844 -5.2829 -5.2829 -5.2258 -5.2258 -5.1346 -5.1346 -5.0001 -5.0001 -4.9871 -4.9871 -3.1263 -3.1263 -3.1231 -3.1231 -3.1201 -3.1201 -3.0791 -3.0791 -3.0750 -3.0750 -3.0737 -3.0737 -3.0257 -3.0257 -3.0222 -3.0222 -2.9816 -2.9816 1.0781 1.0781 1.1029 1.1029 1.1296 1.1296 2.8319 2.8319 3.2671 3.2671 3.2723 3.2723 3.7676 3.7676 3.8291 3.8291 3.8320 3.8320 4.7898 4.7898 4.8553 4.8553 4.8911 4.8911 5.3889 5.3889 5.4656 5.4656 5.4980 5.4980 8.3604 8.3604 8.3627 8.3627 8.9787 8.9787 9.0438 9.0438 9.1573 9.1573 9.1690 9.1690 9.9474 9.9474 9.9767 9.9767 k = 0.2262 0.3199 0.6124 ( 7680 PWs) bands (ev): -61.9314 -61.9314 -34.7878 -34.7878 -26.0716 -26.0716 -26.0716 -26.0716 -5.7099 -5.7099 -5.5290 -5.5290 -5.5124 -5.5124 -5.4789 -5.4789 -5.2851 -5.2851 -5.2820 -5.2820 -5.2267 -5.2267 -5.1339 -5.1339 -5.0063 -5.0063 -4.9805 -4.9805 -3.1289 -3.1289 -3.1228 -3.1228 -3.1183 -3.1183 -3.0798 -3.0798 -3.0752 -3.0752 -3.0729 -3.0729 -3.0273 -3.0273 -3.0204 -3.0204 -2.9813 -2.9813 1.0537 1.0537 1.1016 1.1016 1.1565 1.1565 2.8304 2.8304 3.2642 3.2642 3.2747 3.2747 3.7687 3.7687 3.8286 3.8286 3.8375 3.8375 4.7645 4.7645 4.8528 4.8528 4.9194 4.9194 5.3746 5.3746 5.4532 5.4532 5.5204 5.5204 8.3533 8.3533 8.3623 8.3623 8.9264 8.9264 9.0463 9.0463 9.1693 9.1693 9.2024 9.2024 9.9244 9.9244 9.9833 9.9833 k = 0.2143 0.3030 0.6124 ( 7682 PWs) bands (ev): -61.9314 -61.9314 -34.7878 -34.7878 -26.0716 -26.0716 -26.0716 -26.0716 -5.7114 -5.7114 -5.5325 -5.5325 -5.5081 -5.5081 -5.4788 -5.4788 -5.2857 -5.2857 -5.2811 -5.2811 -5.2281 -5.2281 -5.1328 -5.1328 -5.0120 -5.0120 -4.9739 -4.9739 -3.1315 -3.1315 -3.1227 -3.1227 -3.1164 -3.1164 -3.0807 -3.0807 -3.0753 -3.0753 -3.0721 -3.0721 -3.0286 -3.0286 -3.0185 -3.0185 -2.9809 -2.9809 1.0303 1.0303 1.0995 1.0995 1.1841 1.1841 2.8277 2.8277 3.2615 3.2615 3.2775 3.2775 3.7695 3.7695 3.8279 3.8279 3.8470 3.8470 4.7334 4.7334 4.8550 4.8550 4.9489 4.9489 5.3563 5.3563 5.4393 5.4393 5.5453 5.5453 8.3417 8.3417 8.3613 8.3613 8.8693 8.8693 9.0388 9.0388 9.1849 9.1849 9.2443 9.2443 9.8993 9.8993 9.9870 9.9870 k = 0.2024 0.2862 0.6124 ( 7688 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0716 -26.0716 -26.0716 -26.0716 -5.7134 -5.7134 -5.5357 -5.5357 -5.5040 -5.5040 -5.4785 -5.4785 -5.2863 -5.2863 -5.2802 -5.2802 -5.2299 -5.2299 -5.1316 -5.1316 -5.0172 -5.0172 -4.9675 -4.9675 -3.1343 -3.1343 -3.1227 -3.1227 -3.1146 -3.1146 -3.0817 -3.0817 -3.0751 -3.0751 -3.0714 -3.0714 -3.0297 -3.0297 -3.0167 -3.0167 -2.9802 -2.9802 1.0080 1.0080 1.0966 1.0966 1.2122 1.2122 2.8234 2.8234 3.2589 3.2589 3.2815 3.2815 3.7695 3.7695 3.8267 3.8267 3.8604 3.8604 4.7004 4.7004 4.8596 4.8596 4.9783 4.9783 5.3371 5.3371 5.4227 5.4227 5.5714 5.5714 8.3260 8.3260 8.3598 8.3598 8.8098 8.8098 9.0283 9.0283 9.2019 9.2019 9.2876 9.2876 9.8750 9.8750 9.9893 9.9893 k = 0.1905 0.2694 0.6124 ( 7688 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0716 -26.0716 -26.0716 -26.0716 -5.7159 -5.7159 -5.5386 -5.5386 -5.5005 -5.5005 -5.4776 -5.4776 -5.2869 -5.2869 -5.2792 -5.2792 -5.2319 -5.2319 -5.1306 -5.1306 -5.0215 -5.0215 -4.9613 -4.9613 -3.1371 -3.1371 -3.1226 -3.1226 -3.1130 -3.1130 -3.0828 -3.0828 -3.0749 -3.0749 -3.0710 -3.0710 -3.0304 -3.0304 -3.0148 -3.0148 -2.9795 -2.9795 0.9868 0.9868 1.0930 1.0930 1.2406 1.2406 2.8172 2.8172 3.2565 3.2565 3.2878 3.2878 3.7684 3.7684 3.8250 3.8250 3.8773 3.8773 4.6665 4.6665 4.8659 4.8659 5.0071 5.0071 5.3182 5.3182 5.4029 5.4029 5.5978 5.5978 8.3065 8.3065 8.3576 8.3576 8.7491 8.7491 9.0180 9.0180 9.2194 9.2194 9.3296 9.3296 9.8534 9.8534 9.9907 9.9907 k = 0.1786 0.2525 0.6124 ( 7704 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0717 -26.0717 -26.0716 -26.0716 -5.7188 -5.7188 -5.5411 -5.5411 -5.4980 -5.4980 -5.4758 -5.4758 -5.2875 -5.2875 -5.2782 -5.2782 -5.2340 -5.2340 -5.1302 -5.1302 -5.0249 -5.0249 -4.9553 -4.9553 -3.1399 -3.1399 -3.1226 -3.1226 -3.1116 -3.1116 -3.0838 -3.0838 -3.0746 -3.0746 -3.0709 -3.0709 -3.0308 -3.0308 -3.0130 -3.0130 -2.9786 -2.9786 0.9668 0.9668 1.0888 1.0888 1.2692 1.2692 2.8090 2.8090 3.2540 3.2540 3.2976 3.2976 3.7664 3.7664 3.8225 3.8225 3.8965 3.8965 4.6324 4.6324 4.8735 4.8735 5.0348 5.0348 5.3003 5.3003 5.3803 5.3803 5.6240 5.6240 8.2838 8.2838 8.3543 8.3543 8.6883 8.6883 9.0093 9.0093 9.2366 9.2366 9.3688 9.3688 9.8354 9.8354 9.9913 9.9913 k = 0.1667 0.2357 0.6124 ( 7706 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0717 -26.0717 -26.0716 -26.0716 -5.7220 -5.7220 -5.5433 -5.5433 -5.4966 -5.4966 -5.4730 -5.4730 -5.2880 -5.2880 -5.2771 -5.2771 -5.2361 -5.2361 -5.1305 -5.1305 -5.0271 -5.0271 -4.9497 -4.9497 -3.1427 -3.1427 -3.1226 -3.1226 -3.1103 -3.1103 -3.0849 -3.0849 -3.0743 -3.0743 -3.0710 -3.0710 -3.0307 -3.0307 -3.0113 -3.0113 -2.9777 -2.9777 0.9480 0.9480 1.0841 1.0841 1.2978 1.2978 2.7986 2.7986 3.2511 3.2511 3.3116 3.3116 3.7638 3.7638 3.8193 3.8193 3.9170 3.9170 4.5987 4.5987 4.8821 4.8821 5.0615 5.0615 5.2832 5.2832 5.3557 5.3557 5.6495 5.6495 8.2582 8.2582 8.3499 8.3499 8.6282 8.6282 9.0032 9.0032 9.2533 9.2533 9.4046 9.4046 9.8215 9.8215 9.9913 9.9913 k = 0.1548 0.2189 0.6124 ( 7710 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0717 -26.0717 -26.0716 -26.0716 -5.7254 -5.7254 -5.5451 -5.5451 -5.4962 -5.4962 -5.4693 -5.4693 -5.2885 -5.2885 -5.2760 -5.2760 -5.2380 -5.2380 -5.1318 -5.1318 -5.0281 -5.0281 -4.9443 -4.9443 -3.1454 -3.1454 -3.1227 -3.1227 -3.1092 -3.1092 -3.0858 -3.0858 -3.0739 -3.0739 -3.0714 -3.0714 -3.0303 -3.0303 -3.0096 -3.0096 -2.9767 -2.9767 0.9305 0.9305 1.0791 1.0791 1.3263 1.3263 2.7863 2.7863 3.2479 3.2479 3.3302 3.3302 3.7607 3.7607 3.8154 3.8154 3.9377 3.9377 4.5657 4.5657 4.8916 4.8916 5.0867 5.0867 5.2663 5.2663 5.3305 5.3305 5.6741 5.6741 8.2303 8.2303 8.3441 8.3441 8.5699 8.5699 9.0001 9.0001 9.2691 9.2691 9.4369 9.4369 9.8114 9.8114 9.9903 9.9903 k = 0.1429 0.2020 0.6124 ( 7706 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0717 -26.0717 -26.0716 -26.0716 -5.7290 -5.7290 -5.5467 -5.5467 -5.4966 -5.4966 -5.4651 -5.4651 -5.2890 -5.2890 -5.2750 -5.2750 -5.2397 -5.2397 -5.1342 -5.1342 -5.0278 -5.0278 -4.9393 -4.9393 -3.1480 -3.1480 -3.1227 -3.1227 -3.1083 -3.1083 -3.0867 -3.0867 -3.0736 -3.0736 -3.0720 -3.0720 -3.0297 -3.0297 -3.0080 -3.0080 -2.9756 -2.9756 0.9142 0.9142 1.0738 1.0738 1.3542 1.3542 2.7724 2.7724 3.2444 3.2444 3.3534 3.3534 3.7573 3.7573 3.8107 3.8107 3.9578 3.9578 4.5336 4.5336 4.9017 4.9017 5.1103 5.1103 5.2483 5.2483 5.3068 5.3068 5.6976 5.6976 8.2004 8.2004 8.3368 8.3368 8.5144 8.5144 9.0004 9.0004 9.2837 9.2837 9.4656 9.4656 9.8046 9.8046 9.9883 9.9883 k = 0.1310 0.1852 0.6124 ( 7704 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0716 -26.0716 -26.0716 -26.0716 -5.7327 -5.7327 -5.5481 -5.5481 -5.4974 -5.4974 -5.4607 -5.4607 -5.2895 -5.2895 -5.2740 -5.2740 -5.2409 -5.2409 -5.1375 -5.1375 -5.0265 -5.0265 -4.9347 -4.9347 -3.1505 -3.1505 -3.1227 -3.1227 -3.1075 -3.1075 -3.0875 -3.0875 -3.0735 -3.0735 -3.0726 -3.0726 -3.0287 -3.0287 -3.0064 -3.0064 -2.9746 -2.9746 0.8991 0.8991 1.0685 1.0685 1.3815 1.3815 2.7575 2.7575 3.2406 3.2406 3.3807 3.3807 3.7537 3.7537 3.8054 3.8054 3.9762 3.9762 4.5030 4.5030 4.9121 4.9121 5.1320 5.1320 5.2270 5.2270 5.2874 5.2874 5.7197 5.7197 8.1690 8.1690 8.3278 8.3278 8.4628 8.4628 9.0043 9.0043 9.2971 9.2971 9.4909 9.4909 9.8006 9.8006 9.9849 9.9849 k = 0.1190 0.1684 0.6124 ( 7708 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0717 -26.0717 -26.0716 -26.0716 -5.7363 -5.7363 -5.5492 -5.5492 -5.4985 -5.4985 -5.4562 -5.4562 -5.2899 -5.2899 -5.2731 -5.2731 -5.2417 -5.2417 -5.1417 -5.1417 -5.0243 -5.0243 -4.9305 -4.9305 -3.1528 -3.1528 -3.1228 -3.1228 -3.1069 -3.1069 -3.0882 -3.0882 -3.0743 -3.0743 -3.0724 -3.0724 -3.0276 -3.0276 -3.0049 -3.0049 -2.9737 -2.9737 0.8854 0.8854 1.0631 1.0631 1.4079 1.4079 2.7421 2.7421 3.2368 3.2368 3.4118 3.4118 3.7499 3.7499 3.7996 3.7996 3.9922 3.9922 4.4740 4.4740 4.9225 4.9225 5.1506 5.1506 5.2029 5.2029 5.2738 5.2738 5.7402 5.7402 8.1364 8.1364 8.3165 8.3165 8.4168 8.4168 9.0117 9.0117 9.3090 9.3090 9.5128 9.5128 9.7986 9.7986 9.9798 9.9798 k = 0.1071 0.1515 0.6124 ( 7710 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0717 -26.0717 -26.0716 -26.0716 -5.7398 -5.7398 -5.5501 -5.5501 -5.4998 -5.4998 -5.4519 -5.4519 -5.2904 -5.2904 -5.2724 -5.2724 -5.2420 -5.2420 -5.1465 -5.1465 -5.0215 -5.0215 -4.9267 -4.9267 -3.1550 -3.1550 -3.1229 -3.1229 -3.1063 -3.1063 -3.0889 -3.0889 -3.0754 -3.0754 -3.0721 -3.0721 -3.0264 -3.0264 -3.0034 -3.0034 -2.9728 -2.9728 0.8730 0.8730 1.0579 1.0579 1.4330 1.4330 2.7266 2.7266 3.2330 3.2330 3.4459 3.4459 3.7460 3.7460 3.7936 3.7936 4.0051 4.0051 4.4471 4.4471 4.9327 4.9327 5.1572 5.1572 5.1864 5.1864 5.2650 5.2650 5.7591 5.7591 8.1033 8.1033 8.3020 8.3020 8.3781 8.3781 9.0222 9.0222 9.3194 9.3194 9.5315 9.5315 9.7980 9.7980 9.9730 9.9730 k = 0.0952 0.1347 0.6124 ( 7714 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0717 -26.0717 -26.0716 -26.0716 -5.7431 -5.7431 -5.5508 -5.5508 -5.5011 -5.5011 -5.4477 -5.4477 -5.2908 -5.2908 -5.2719 -5.2719 -5.2417 -5.2417 -5.1518 -5.1518 -5.0183 -5.0183 -4.9233 -4.9233 -3.1570 -3.1570 -3.1230 -3.1230 -3.1059 -3.1059 -3.0894 -3.0894 -3.0766 -3.0766 -3.0717 -3.0717 -3.0252 -3.0252 -3.0020 -3.0020 -2.9720 -2.9720 0.8618 0.8618 1.0529 1.0529 1.4565 1.4565 2.7115 2.7115 3.2293 3.2293 3.4822 3.4822 3.7421 3.7421 3.7877 3.7877 4.0142 4.0142 4.4225 4.4225 4.9424 4.9424 5.1366 5.1366 5.1945 5.1945 5.2597 5.2597 5.7762 5.7762 8.0703 8.0703 8.2829 8.2829 8.3488 8.3488 9.0354 9.0354 9.3285 9.3285 9.5469 9.5469 9.7982 9.7982 9.9644 9.9644 k = 0.0833 0.1179 0.6124 ( 7722 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0717 -26.0717 -26.0716 -26.0716 -5.7462 -5.7462 -5.5514 -5.5514 -5.5024 -5.5024 -5.4439 -5.4439 -5.2912 -5.2912 -5.2715 -5.2715 -5.2408 -5.2408 -5.1573 -5.1573 -5.0151 -5.0151 -4.9204 -4.9204 -3.1588 -3.1588 -3.1231 -3.1231 -3.1055 -3.1055 -3.0898 -3.0898 -3.0777 -3.0777 -3.0714 -3.0714 -3.0240 -3.0240 -3.0008 -3.0008 -2.9712 -2.9712 0.8520 0.8520 1.0483 1.0483 1.4783 1.4783 2.6974 2.6974 3.2258 3.2258 3.5199 3.5199 3.7384 3.7384 3.7821 3.7821 4.0191 4.0191 4.4004 4.4004 4.9511 4.9511 5.1101 5.1101 5.2075 5.2075 5.2570 5.2570 5.7915 5.7915 8.0382 8.0382 8.2600 8.2600 8.3286 8.3286 9.0508 9.0508 9.3362 9.3362 9.5589 9.5589 9.7989 9.7989 9.9545 9.9545 k = 0.0714 0.1010 0.6124 ( 7714 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0717 -26.0717 -26.0716 -26.0716 -5.7490 -5.7490 -5.5518 -5.5518 -5.5036 -5.5036 -5.4405 -5.4405 -5.2916 -5.2916 -5.2714 -5.2714 -5.2394 -5.2394 -5.1628 -5.1628 -5.0118 -5.0118 -4.9179 -4.9179 -3.1604 -3.1604 -3.1232 -3.1232 -3.1053 -3.1053 -3.0901 -3.0901 -3.0788 -3.0788 -3.0711 -3.0711 -3.0229 -3.0229 -2.9996 -2.9996 -2.9706 -2.9706 0.8435 0.8435 1.0441 1.0441 1.4979 1.4979 2.6844 2.6844 3.2226 3.2226 3.5579 3.5579 3.7350 3.7350 3.7771 3.7771 4.0195 4.0195 4.3810 4.3810 4.9585 4.9585 5.0851 5.0851 5.2189 5.2189 5.2563 5.2563 5.8048 5.8048 8.0080 8.0080 8.2364 8.2364 8.3146 8.3146 9.0675 9.0675 9.3427 9.3427 9.5675 9.5675 9.7995 9.7995 9.9439 9.9439 k = 0.0595 0.0842 0.6124 ( 7718 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0717 -26.0717 -26.0716 -26.0716 -5.7514 -5.7514 -5.5521 -5.5521 -5.5047 -5.5047 -5.4375 -5.4375 -5.2919 -5.2919 -5.2713 -5.2713 -5.2375 -5.2375 -5.1682 -5.1682 -5.0088 -5.0088 -4.9158 -4.9158 -3.1617 -3.1617 -3.1233 -3.1233 -3.1050 -3.1050 -3.0903 -3.0903 -3.0799 -3.0799 -3.0708 -3.0708 -3.0219 -3.0219 -2.9985 -2.9985 -2.9700 -2.9700 0.8362 0.8363 1.0404 1.0404 1.5151 1.5151 2.6730 2.6730 3.2197 3.2197 3.5946 3.5946 3.7325 3.7325 3.7731 3.7731 4.0154 4.0154 4.3645 4.3645 4.9641 4.9641 5.0636 5.0636 5.2279 5.2279 5.2576 5.2576 5.8162 5.8162 7.9807 7.9807 8.2148 8.2148 8.3042 8.3042 9.0848 9.0848 9.3480 9.3480 9.5727 9.5727 9.7998 9.7998 9.9337 9.9337 k = 0.0476 0.0673 0.6124 ( 7706 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0716 -26.0716 -26.0716 -26.0716 -5.7535 -5.7535 -5.5523 -5.5523 -5.5057 -5.5057 -5.4350 -5.4350 -5.2922 -5.2922 -5.2714 -5.2714 -5.2354 -5.2354 -5.1733 -5.1733 -5.0062 -5.0062 -4.9141 -4.9141 -3.1629 -3.1629 -3.1234 -3.1234 -3.1049 -3.1049 -3.0904 -3.0904 -3.0808 -3.0808 -3.0706 -3.0706 -3.0211 -3.0211 -2.9976 -2.9976 -2.9696 -2.9696 0.8304 0.8304 1.0373 1.0373 1.5296 1.5296 2.6633 2.6633 3.2173 3.2173 3.6279 3.6279 3.7319 3.7319 3.7702 3.7702 4.0073 4.0073 4.3509 4.3509 4.9674 4.9674 5.0467 5.0467 5.2341 5.2341 5.2605 5.2605 5.8256 5.8256 7.9571 7.9571 8.1966 8.1966 8.2963 8.2963 9.1014 9.1014 9.3522 9.3522 9.5749 9.5749 9.7994 9.7994 9.9250 9.9250 k = 0.0357 0.0505 0.6124 ( 7716 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0717 -26.0717 -26.0716 -26.0716 -5.7551 -5.7551 -5.5525 -5.5525 -5.5065 -5.5065 -5.4330 -5.4330 -5.2924 -5.2924 -5.2715 -5.2715 -5.2333 -5.2333 -5.1777 -5.1777 -5.0040 -5.0040 -4.9128 -4.9128 -3.1638 -3.1638 -3.1235 -3.1235 -3.1047 -3.1047 -3.0905 -3.0905 -3.0816 -3.0816 -3.0704 -3.0704 -3.0204 -3.0204 -2.9969 -2.9969 -2.9693 -2.9693 0.8258 0.8258 1.0348 1.0348 1.5411 1.5411 2.6556 2.6556 3.2153 3.2153 3.6545 3.6545 3.7347 3.7347 3.7689 3.7689 3.9963 3.9963 4.3404 4.3404 4.9681 4.9681 5.0350 5.0350 5.2379 5.2379 5.2641 5.2641 5.8329 5.8329 7.9379 7.9379 8.1823 8.1823 8.2902 8.2902 9.1163 9.1163 9.3555 9.3555 9.5749 9.5749 9.7985 9.7985 9.9183 9.9183 k = 0.0238 0.0337 0.6124 ( 7720 PWs) bands (ev): -61.9315 -61.9315 -34.7878 -34.7878 -26.0717 -26.0717 -26.0716 -26.0716 -5.7563 -5.7563 -5.5526 -5.5526 -5.5071 -5.5071 -5.4316 -5.4316 -5.2926 -5.2926 -5.2715 -5.2715 -5.2314 -5.2314 -5.1813 -5.1813 -5.0024 -5.0024 -4.9119 -4.9119 -3.1644 -3.1644 -3.1236 -3.1236 -3.1046 -3.1046 -3.0905 -3.0905 -3.0821 -3.0821 -3.0703 -3.0703 -3.0199 -3.0199 -2.9963 -2.9963 -2.9690 -2.9690 0.8225 0.8225 1.0330 1.0330 1.5495 1.5495 2.6500 2.6500 3.2139 3.2139 3.6714 3.6714 3.7407 3.7407 3.7700 3.7700 3.9845 3.9845 4.3329 4.3329 4.9669 4.9669 5.0283 5.0283 5.2401 5.2401 5.2673 5.2673 5.8381 5.8381 7.9238 7.9238 8.1719 8.1719 8.2860 8.2860 9.1282 9.1282 9.3578 9.3578 9.5736 9.5736 9.7973 9.7973 9.9138 9.9138 k = 0.0119 0.0168 0.6124 ( 7730 PWs) bands (ev): -61.9315 -61.9315 -34.7879 -34.7879 -26.0717 -26.0717 -26.0716 -26.0716 -5.7570 -5.7570 -5.5527 -5.5527 -5.5074 -5.5074 -5.4307 -5.4307 -5.2927 -5.2927 -5.2716 -5.2716 -5.2300 -5.2300 -5.1837 -5.1837 -5.0014 -5.0014 -4.9114 -4.9114 -3.1648 -3.1648 -3.1236 -3.1236 -3.1046 -3.1046 -3.0905 -3.0905 -3.0825 -3.0825 -3.0702 -3.0702 -3.0196 -3.0196 -2.9960 -2.9960 -2.9689 -2.9689 0.8205 0.8205 1.0320 1.0320 1.5546 1.5546 2.6466 2.6466 3.2131 3.2131 3.6792 3.6792 3.7462 3.7462 3.7737 3.7737 3.9749 3.9749 4.3283 4.3283 4.9652 4.9652 5.0251 5.0251 5.2413 5.2413 5.2696 5.2696 5.8413 5.8413 7.9151 7.9151 8.1657 8.1657 8.2834 8.2834 9.1358 9.1358 9.3592 9.3592 9.5722 9.5722 9.7964 9.7964 9.9114 9.9114 k = 0.0000 0.0000 0.6124 ( 7750 PWs) bands (ev): -61.9315 -61.9315 -34.7879 -34.7879 -26.0717 -26.0717 -26.0717 -26.0717 -5.7573 -5.7573 -5.5527 -5.5527 -5.5076 -5.5076 -5.4305 -5.4305 -5.2927 -5.2927 -5.2716 -5.2716 -5.2295 -5.2295 -5.1845 -5.1845 -5.0011 -5.0011 -4.9112 -4.9112 -3.1649 -3.1649 -3.1236 -3.1236 -3.1046 -3.1046 -3.0905 -3.0905 -3.0826 -3.0826 -3.0702 -3.0702 -3.0196 -3.0196 -2.9959 -2.9959 -2.9689 -2.9689 0.8199 0.8199 1.0316 1.0316 1.5563 1.5563 2.6455 2.6455 3.2128 3.2128 3.6813 3.6813 3.7480 3.7480 3.7760 3.7760 3.9712 3.9712 4.3268 4.3268 4.9645 4.9645 5.0242 5.0242 5.2416 5.2416 5.2703 5.2703 5.8423 5.8423 7.9122 7.9122 8.1636 8.1636 8.2826 8.2826 9.1385 9.1385 9.3597 9.3597 9.5716 9.5716 9.7960 9.7960 9.9106 9.9106 Writing output data file TaTl3S4.save init_run : 3.74s CPU 13.70s WALL ( 1 calls) electrons : 1231.53s CPU 1241.35s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.52s CPU 1.55s WALL ( 1 calls) Called by electrons: c_bands : 1231.51s CPU 1240.73s WALL ( 1 calls) v_of_rho : 0.26s CPU 0.92s WALL ( 1 calls) v_h : 0.01s CPU 0.06s WALL ( 1 calls) v_xc : 0.25s CPU 0.62s WALL ( 1 calls) newd : 0.70s CPU 1.00s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.16s WALL ( 201 calls) cegterg : 1156.81s CPU 1163.24s WALL ( 300 calls) Called by sum_band: Called by *egterg: h_psi : 527.85s CPU 533.06s WALL ( 4643 calls) s_psi : 70.14s CPU 70.30s WALL ( 4643 calls) g_psi : 1.08s CPU 1.11s WALL ( 4142 calls) cdiaghg : 414.82s CPU 414.62s WALL ( 4343 calls) cegterg:over : 99.10s CPU 98.58s WALL ( 4142 calls) cegterg:upda : 34.92s CPU 35.69s WALL ( 4142 calls) cegterg:last : 27.08s CPU 27.31s WALL ( 903 calls) Called by h_psi: h_psi:vloc : 400.33s CPU 403.34s WALL ( 4643 calls) h_psi:vnl : 126.85s CPU 128.32s WALL ( 4643 calls) add_vuspsi : 53.03s CPU 54.89s WALL ( 4643 calls) General routines calbec : 73.78s CPU 73.28s WALL ( 4643 calls) fft : 0.48s CPU 1.31s WALL ( 19 calls) ffts : 0.02s CPU 0.02s WALL ( 4 calls) fftw : 379.35s CPU 379.83s WALL ( 1080904 calls) interpolate : 0.13s CPU 0.13s WALL ( 4 calls) davcio : 0.04s CPU 2.97s WALL ( 402 calls) Parallel routines fft_scatter : 220.13s CPU 218.34s WALL ( 1080927 calls) PWSCF : 21m46.58s CPU 23m53.01s WALL This run was terminated on: 8:11:36 2Nov2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=