Program PWSCF v.5.3.0 (svn rev. 11974) starts on 27Jan2017 at 19:17:55 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Al2S3.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 56 49 13 1622 1334 197 Max 57 50 14 1624 1350 202 Sum 2019 1787 497 58445 48241 7181 bravais-lattice index = 14 lattice parameter (alat) = 12.9681 a.u. unit-cell volume = 1408.3376 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 2 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 40.0000 Ry charge density cutoff = 182.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.968098 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.555549 celldm(5)= 0.555549 celldm(6)= 0.555549 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.555549 0.831484 0.000000 ) a(3) = ( 0.555549 0.296956 0.776648 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.668142 -0.459848 ) b(2) = ( 0.000000 1.202669 -0.459848 ) b(3) = ( 0.000000 0.000000 1.287585 ) PseudoPot. # 1 for S read from file: /users/gautes/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 Al read from file: /users/gautes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) Al 3.00 26.98150 Al( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 220 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045455 k( 2) = ( 0.0166667 -0.0111357 -0.0076641), wk = 0.0045455 k( 3) = ( 0.0333333 -0.0222714 -0.0153283), wk = 0.0045455 k( 4) = ( 0.0500000 -0.0334071 -0.0229924), wk = 0.0045455 k( 5) = ( 0.0666667 -0.0445428 -0.0306566), wk = 0.0045455 k( 6) = ( 0.0833333 -0.0556785 -0.0383207), wk = 0.0045455 k( 7) = ( 0.1000000 -0.0668142 -0.0459848), wk = 0.0045455 k( 8) = ( 0.1166667 -0.0779499 -0.0536490), wk = 0.0045455 k( 9) = ( 0.1333333 -0.0890856 -0.0613131), wk = 0.0045455 k( 10) = ( 0.1500000 -0.1002213 -0.0689772), wk = 0.0045455 k( 11) = ( 0.1666667 -0.1113570 -0.0766414), wk = 0.0045455 k( 12) = ( 0.1833333 -0.1224927 -0.0843055), wk = 0.0045455 k( 13) = ( 0.2000000 -0.1336284 -0.0919697), wk = 0.0045455 k( 14) = ( 0.2166667 -0.1447641 -0.0996338), wk = 0.0045455 k( 15) = ( 0.2333333 -0.1558998 -0.1072979), wk = 0.0045455 k( 16) = ( 0.2500000 -0.1670355 -0.1149621), wk = 0.0045455 k( 17) = ( 0.2666667 -0.1781712 -0.1226262), wk = 0.0045455 k( 18) = ( 0.2833333 -0.1893069 -0.1302904), wk = 0.0045455 k( 19) = ( 0.3000000 -0.2004426 -0.1379545), wk = 0.0045455 k( 20) = ( 0.3166667 -0.2115783 -0.1456186), wk = 0.0045455 k( 21) = ( 0.3333333 -0.2227140 -0.1532828), wk = 0.0045455 k( 22) = ( 0.3500000 -0.2338497 -0.1609469), wk = 0.0045455 k( 23) = ( 0.3666667 -0.2449855 -0.1686111), wk = 0.0045455 k( 24) = ( 0.3833333 -0.2561212 -0.1762752), wk = 0.0045455 k( 25) = ( 0.4000000 -0.2672569 -0.1839393), wk = 0.0045455 k( 26) = ( 0.4166667 -0.2783926 -0.1916035), wk = 0.0045455 k( 27) = ( 0.4333333 -0.2895283 -0.1992676), wk = 0.0045455 k( 28) = ( 0.4500000 -0.3006640 -0.2069317), wk = 0.0045455 k( 29) = ( 0.4666667 -0.3117997 -0.2145959), wk = 0.0045455 k( 30) = ( 0.4833333 -0.3229354 -0.2222600), wk = 0.0045455 k( 31) = ( 0.5000000 -0.3340711 -0.2299242), wk = 0.0045455 k( 32) = ( 0.5000000 -0.3340711 -0.2299242), wk = 0.0045455 k( 33) = ( 0.5000000 -0.3222025 -0.2471687), wk = 0.0045455 k( 34) = ( 0.5000000 -0.3103340 -0.2644132), wk = 0.0045455 k( 35) = ( 0.5000000 -0.2984655 -0.2816577), wk = 0.0045455 k( 36) = ( 0.5000000 -0.2865970 -0.2989022), wk = 0.0045455 k( 37) = ( 0.5000000 -0.2747285 -0.3161467), wk = 0.0045455 k( 38) = ( 0.5000000 -0.2628599 -0.3333912), wk = 0.0045455 k( 39) = ( 0.5000000 -0.2509914 -0.3506357), wk = 0.0045455 k( 40) = ( 0.5000000 -0.2391229 -0.3678802), wk = 0.0045455 k( 41) = ( 0.5000000 -0.2272544 -0.3851247), wk = 0.0045455 k( 42) = ( 0.5000000 -0.2153859 -0.4023692), wk = 0.0045455 k( 43) = ( 0.5000000 -0.2035174 -0.4196138), wk = 0.0045455 k( 44) = ( 0.5000000 -0.1916488 -0.4368583), wk = 0.0045455 k( 45) = ( 0.5000000 -0.1797803 -0.4541028), wk = 0.0045455 k( 46) = ( 0.5000000 -0.1679118 -0.4713473), wk = 0.0045455 k( 47) = ( 0.5000000 -0.1560433 -0.4885918), wk = 0.0045455 k( 48) = ( 0.5000000 -0.1441748 -0.5058363), wk = 0.0045455 k( 49) = ( 0.5000000 -0.1323062 -0.5230808), wk = 0.0045455 k( 50) = ( 0.5000000 -0.1204377 -0.5403253), wk = 0.0045455 k( 51) = ( 0.5000000 -0.1085692 -0.5575698), wk = 0.0045455 k( 52) = ( 0.5000000 -0.0967007 -0.5748143), wk = 0.0045455 k( 53) = ( 0.5000000 -0.0848322 -0.5920588), wk = 0.0045455 k( 54) = ( 0.5000000 -0.0729636 -0.6093033), wk = 0.0045455 k( 55) = ( 0.5000000 -0.0610951 -0.6265479), wk = 0.0045455 k( 56) = ( 0.5000000 -0.0492266 -0.6437924), wk = 0.0045455 k( 57) = ( 0.7631565 0.0914377 -0.2759043), wk = 0.0045455 k( 58) = ( 0.7530351 0.0982003 -0.2582178), wk = 0.0045455 k( 59) = ( 0.7429137 0.1049628 -0.2405313), wk = 0.0045455 k( 60) = ( 0.7327923 0.1117254 -0.2228449), wk = 0.0045455 k( 61) = ( 0.7226709 0.1184879 -0.2051584), wk = 0.0045455 k( 62) = ( 0.7125495 0.1252504 -0.1874719), wk = 0.0045455 k( 63) = ( 0.7024281 0.1320130 -0.1697855), wk = 0.0045455 k( 64) = ( 0.6923067 0.1387755 -0.1520990), wk = 0.0045455 k( 65) = ( 0.6821853 0.1455380 -0.1344125), wk = 0.0045455 k( 66) = ( 0.6720639 0.1523006 -0.1167260), wk = 0.0045455 k( 67) = ( 0.6619424 0.1590631 -0.0990396), wk = 0.0045455 k( 68) = ( 0.6518211 0.1658256 -0.0813531), wk = 0.0045455 k( 69) = ( 0.6416996 0.1725882 -0.0636666), wk = 0.0045455 k( 70) = ( 0.6315782 0.1793507 -0.0459801), wk = 0.0045455 k( 71) = ( 0.6214568 0.1861132 -0.0282937), wk = 0.0045455 k( 72) = ( 0.6113354 0.1928758 -0.0106072), wk = 0.0045455 k( 73) = ( 0.6012140 0.1996383 0.0070793), wk = 0.0045455 k( 74) = ( 0.5910926 0.2064009 0.0247658), wk = 0.0045455 k( 75) = ( 0.5809712 0.2131634 0.0424522), wk = 0.0045455 k( 76) = ( 0.5708498 0.2199259 0.0601387), wk = 0.0045455 k( 77) = ( 0.5607284 0.2266885 0.0778252), wk = 0.0045455 k( 78) = ( 0.5506070 0.2334510 0.0955116), wk = 0.0045455 k( 79) = ( 0.5404856 0.2402135 0.1131981), wk = 0.0045455 k( 80) = ( 0.5303642 0.2469761 0.1308846), wk = 0.0045455 k( 81) = ( 0.5202428 0.2537386 0.1485711), wk = 0.0045455 k( 82) = ( 0.5101214 0.2605011 0.1662576), wk = 0.0045455 k( 83) = ( 0.5000000 0.2672637 0.1839440), wk = 0.0045455 k( 84) = ( 0.5000000 0.2672637 0.1839440), wk = 0.0045455 k( 85) = ( 0.4821429 0.2577185 0.1773746), wk = 0.0045455 k( 86) = ( 0.4642857 0.2481734 0.1708052), wk = 0.0045455 k( 87) = ( 0.4464286 0.2386283 0.1642357), wk = 0.0045455 k( 88) = ( 0.4285714 0.2290832 0.1576663), wk = 0.0045455 k( 89) = ( 0.4107143 0.2195380 0.1510969), wk = 0.0045455 k( 90) = ( 0.3928571 0.2099929 0.1445275), wk = 0.0045455 k( 91) = ( 0.3750000 0.2004478 0.1379580), wk = 0.0045455 k( 92) = ( 0.3571429 0.1909026 0.1313886), wk = 0.0045455 k( 93) = ( 0.3392857 0.1813575 0.1248192), wk = 0.0045455 k( 94) = ( 0.3214286 0.1718124 0.1182497), wk = 0.0045455 k( 95) = ( 0.3035714 0.1622672 0.1116803), wk = 0.0045455 k( 96) = ( 0.2857143 0.1527221 0.1051109), wk = 0.0045455 k( 97) = ( 0.2678571 0.1431770 0.0985414), wk = 0.0045455 k( 98) = ( 0.2500000 0.1336318 0.0919720), wk = 0.0045455 k( 99) = ( 0.2321429 0.1240867 0.0854026), wk = 0.0045455 k( 100) = ( 0.2142857 0.1145416 0.0788332), wk = 0.0045455 k( 101) = ( 0.1964286 0.1049964 0.0722637), wk = 0.0045455 k( 102) = ( 0.1785714 0.0954513 0.0656943), wk = 0.0045455 k( 103) = ( 0.1607143 0.0859062 0.0591249), wk = 0.0045455 k( 104) = ( 0.1428571 0.0763610 0.0525554), wk = 0.0045455 k( 105) = ( 0.1250000 0.0668159 0.0459860), wk = 0.0045455 k( 106) = ( 0.1071429 0.0572708 0.0394166), wk = 0.0045455 k( 107) = ( 0.0892857 0.0477257 0.0328471), wk = 0.0045455 k( 108) = ( 0.0714286 0.0381805 0.0262777), wk = 0.0045455 k( 109) = ( 0.0535714 0.0286354 0.0197083), wk = 0.0045455 k( 110) = ( 0.0357143 0.0190903 0.0131389), wk = 0.0045455 k( 111) = ( 0.0178571 0.0095451 0.0065694), wk = 0.0045455 k( 112) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045455 k( 113) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045455 k( 114) = ( 0.0102339 -0.0068377 -0.0178831), wk = 0.0045455 k( 115) = ( 0.0204679 -0.0136755 -0.0357662), wk = 0.0045455 k( 116) = ( 0.0307018 -0.0205132 -0.0536494), wk = 0.0045455 k( 117) = ( 0.0409357 -0.0273509 -0.0715325), wk = 0.0045455 k( 118) = ( 0.0511697 -0.0341886 -0.0894156), wk = 0.0045455 k( 119) = ( 0.0614036 -0.0410264 -0.1072987), wk = 0.0045455 k( 120) = ( 0.0716376 -0.0478641 -0.1251818), wk = 0.0045455 k( 121) = ( 0.0818715 -0.0547018 -0.1430650), wk = 0.0045455 k( 122) = ( 0.0921054 -0.0615395 -0.1609481), wk = 0.0045455 k( 123) = ( 0.1023394 -0.0683773 -0.1788312), wk = 0.0045455 k( 124) = ( 0.1125733 -0.0752150 -0.1967143), wk = 0.0045455 k( 125) = ( 0.1228073 -0.0820527 -0.2145974), wk = 0.0045455 k( 126) = ( 0.1330412 -0.0888904 -0.2324806), wk = 0.0045455 k( 127) = ( 0.1432751 -0.0957282 -0.2503637), wk = 0.0045455 k( 128) = ( 0.1535091 -0.1025659 -0.2682468), wk = 0.0045455 k( 129) = ( 0.1637430 -0.1094036 -0.2861299), wk = 0.0045455 k( 130) = ( 0.1739769 -0.1162413 -0.3040131), wk = 0.0045455 k( 131) = ( 0.1842109 -0.1230791 -0.3218962), wk = 0.0045455 k( 132) = ( 0.1944448 -0.1299168 -0.3397793), wk = 0.0045455 k( 133) = ( 0.2046788 -0.1367545 -0.3576624), wk = 0.0045455 k( 134) = ( 0.2149127 -0.1435922 -0.3755455), wk = 0.0045455 k( 135) = ( 0.2251466 -0.1504300 -0.3934287), wk = 0.0045455 k( 136) = ( 0.2353806 -0.1572677 -0.4113118), wk = 0.0045455 k( 137) = ( 0.2456145 -0.1641054 -0.4291949), wk = 0.0045455 k( 138) = ( 0.2558484 -0.1709431 -0.4470780), wk = 0.0045455 k( 139) = ( 0.2660824 -0.1777809 -0.4649611), wk = 0.0045455 k( 140) = ( 0.2763163 -0.1846186 -0.4828443), wk = 0.0045455 k( 141) = ( 0.2865503 -0.1914563 -0.5007274), wk = 0.0045455 k( 142) = ( 0.2967842 -0.1982940 -0.5186105), wk = 0.0045455 k( 143) = ( 0.3070181 -0.2051317 -0.5364936), wk = 0.0045455 k( 144) = ( 0.3172521 -0.2119695 -0.5543768), wk = 0.0045455 k( 145) = ( 0.3274860 -0.2188072 -0.5722599), wk = 0.0045455 k( 146) = ( 0.3377199 -0.2256449 -0.5901430), wk = 0.0045455 k( 147) = ( 0.3479539 -0.2324826 -0.6080261), wk = 0.0045455 k( 148) = ( 0.3581878 -0.2393204 -0.6259092), wk = 0.0045455 k( 149) = ( 0.3684218 -0.2461581 -0.6437924), wk = 0.0045455 k( 150) = ( 0.6315782 0.0211056 -0.4598483), wk = 0.0045455 k( 151) = ( 0.6214568 0.0400408 -0.4598483), wk = 0.0045455 k( 152) = ( 0.6113354 0.0589761 -0.4598483), wk = 0.0045455 k( 153) = ( 0.6012140 0.0779113 -0.4598483), wk = 0.0045455 k( 154) = ( 0.5910926 0.0968465 -0.4598483), wk = 0.0045455 k( 155) = ( 0.5809712 0.1157818 -0.4598483), wk = 0.0045455 k( 156) = ( 0.5708498 0.1347170 -0.4598483), wk = 0.0045455 k( 157) = ( 0.5607284 0.1536522 -0.4598483), wk = 0.0045455 k( 158) = ( 0.5506070 0.1725875 -0.4598483), wk = 0.0045455 k( 159) = ( 0.5404856 0.1915227 -0.4598483), wk = 0.0045455 k( 160) = ( 0.5303642 0.2104580 -0.4598483), wk = 0.0045455 k( 161) = ( 0.5202428 0.2293932 -0.4598483), wk = 0.0045455 k( 162) = ( 0.5101214 0.2483284 -0.4598483), wk = 0.0045455 k( 163) = ( 0.5000000 0.2672637 -0.4598483), wk = 0.0045455 k( 164) = ( 0.5000000 0.2672637 -0.4598483), wk = 0.0045455 k( 165) = ( 0.5119617 0.2736575 -0.4431261), wk = 0.0045455 k( 166) = ( 0.5239233 0.2800513 -0.4264040), wk = 0.0045455 k( 167) = ( 0.5358850 0.2864452 -0.4096818), wk = 0.0045455 k( 168) = ( 0.5478466 0.2928390 -0.3929596), wk = 0.0045455 k( 169) = ( 0.5598083 0.2992328 -0.3762374), wk = 0.0045455 k( 170) = ( 0.5717699 0.3056267 -0.3595152), wk = 0.0045455 k( 171) = ( 0.5837316 0.3120205 -0.3427930), wk = 0.0045455 k( 172) = ( 0.5956933 0.3184144 -0.3260709), wk = 0.0045455 k( 173) = ( 0.6076549 0.3248082 -0.3093487), wk = 0.0045455 k( 174) = ( 0.6196166 0.3312020 -0.2926265), wk = 0.0045455 k( 175) = ( 0.6315782 0.3375958 -0.2759043), wk = 0.0045455 k( 176) = ( 0.6315782 0.3375958 -0.2759043), wk = 0.0045455 k( 177) = ( 0.6258575 0.3345379 -0.2559109), wk = 0.0045455 k( 178) = ( 0.6201366 0.3314800 -0.2359175), wk = 0.0045455 k( 179) = ( 0.6144159 0.3284221 -0.2159241), wk = 0.0045455 k( 180) = ( 0.6086951 0.3253642 -0.1959307), wk = 0.0045455 k( 181) = ( 0.6029743 0.3223062 -0.1759373), wk = 0.0045455 k( 182) = ( 0.5972535 0.3192483 -0.1559439), wk = 0.0045455 k( 183) = ( 0.5915327 0.3161904 -0.1359505), wk = 0.0045455 k( 184) = ( 0.5858119 0.3131325 -0.1159571), wk = 0.0045455 k( 185) = ( 0.5800911 0.3100746 -0.0959637), wk = 0.0045455 k( 186) = ( 0.5743703 0.3070166 -0.0759702), wk = 0.0045455 k( 187) = ( 0.5686495 0.3039587 -0.0559768), wk = 0.0045455 k( 188) = ( 0.5629287 0.3009008 -0.0359834), wk = 0.0045455 k( 189) = ( 0.5572079 0.2978429 -0.0159900), wk = 0.0045455 k( 190) = ( 0.5514871 0.2947850 0.0040034), wk = 0.0045455 k( 191) = ( 0.5457663 0.2917270 0.0239968), wk = 0.0045455 k( 192) = ( 0.5400455 0.2886691 0.0439902), wk = 0.0045455 k( 193) = ( 0.5343248 0.2856112 0.0639836), wk = 0.0045455 k( 194) = ( 0.5286040 0.2825533 0.0839770), wk = 0.0045455 k( 195) = ( 0.5228832 0.2794954 0.1039704), wk = 0.0045455 k( 196) = ( 0.5171624 0.2764374 0.1239638), wk = 0.0045455 k( 197) = ( 0.5114416 0.2733795 0.1439572), wk = 0.0045455 k( 198) = ( 0.5057208 0.2703216 0.1639506), wk = 0.0045455 k( 199) = ( 0.5000000 0.2672637 0.1839440), wk = 0.0045455 k( 200) = ( 0.5000000 -0.3340711 -0.2299242), wk = 0.0045455 k( 201) = ( 0.5131578 -0.3207079 -0.2207270), wk = 0.0045455 k( 202) = ( 0.5263157 -0.3073447 -0.2115298), wk = 0.0045455 k( 203) = ( 0.5394735 -0.2939815 -0.2023326), wk = 0.0045455 k( 204) = ( 0.5526313 -0.2806183 -0.1931354), wk = 0.0045455 k( 205) = ( 0.5657891 -0.2672551 -0.1839382), wk = 0.0045455 k( 206) = ( 0.5789469 -0.2538920 -0.1747410), wk = 0.0045455 k( 207) = ( 0.5921048 -0.2405288 -0.1655438), wk = 0.0045455 k( 208) = ( 0.6052626 -0.2271656 -0.1563466), wk = 0.0045455 k( 209) = ( 0.6184204 -0.2138024 -0.1471494), wk = 0.0045455 k( 210) = ( 0.6315782 -0.2004392 -0.1379522), wk = 0.0045455 k( 211) = ( 0.6447361 -0.1870760 -0.1287549), wk = 0.0045455 k( 212) = ( 0.6578939 -0.1737129 -0.1195577), wk = 0.0045455 k( 213) = ( 0.6710517 -0.1603497 -0.1103605), wk = 0.0045455 k( 214) = ( 0.6842095 -0.1469865 -0.1011633), wk = 0.0045455 k( 215) = ( 0.6973674 -0.1336233 -0.0919661), wk = 0.0045455 k( 216) = ( 0.7105252 -0.1202601 -0.0827689), wk = 0.0045455 k( 217) = ( 0.7236830 -0.1068969 -0.0735717), wk = 0.0045455 k( 218) = ( 0.7368408 -0.0935338 -0.0643745), wk = 0.0045455 k( 219) = ( 0.7499987 -0.0801706 -0.0551773), wk = 0.0045455 k( 220) = ( 0.7631565 -0.0668074 -0.0459801), wk = 0.0045455 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045455 k( 2) = ( 0.0166667 -0.0000000 -0.0000000), wk = 0.0045455 k( 3) = ( 0.0333333 -0.0000000 -0.0000000), wk = 0.0045455 k( 4) = ( 0.0500000 0.0000000 0.0000000), wk = 0.0045455 k( 5) = ( 0.0666667 0.0000000 0.0000000), wk = 0.0045455 k( 6) = ( 0.0833333 -0.0000000 -0.0000000), wk = 0.0045455 k( 7) = ( 0.1000000 0.0000000 0.0000000), wk = 0.0045455 k( 8) = ( 0.1166667 0.0000000 0.0000000), wk = 0.0045455 k( 9) = ( 0.1333333 -0.0000000 0.0000000), wk = 0.0045455 k( 10) = ( 0.1500000 -0.0000000 -0.0000000), wk = 0.0045455 k( 11) = ( 0.1666667 0.0000000 -0.0000000), wk = 0.0045455 k( 12) = ( 0.1833333 -0.0000000 0.0000000), wk = 0.0045455 k( 13) = ( 0.2000000 0.0000000 0.0000000), wk = 0.0045455 k( 14) = ( 0.2166667 0.0000000 0.0000000), wk = 0.0045455 k( 15) = ( 0.2333333 -0.0000000 0.0000000), wk = 0.0045455 k( 16) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0045455 k( 17) = ( 0.2666667 0.0000000 0.0000000), wk = 0.0045455 k( 18) = ( 0.2833333 -0.0000000 0.0000000), wk = 0.0045455 k( 19) = ( 0.3000000 -0.0000000 -0.0000000), wk = 0.0045455 k( 20) = ( 0.3166667 0.0000000 0.0000000), wk = 0.0045455 k( 21) = ( 0.3333333 -0.0000000 -0.0000000), wk = 0.0045455 k( 22) = ( 0.3500000 -0.0000000 -0.0000000), wk = 0.0045455 k( 23) = ( 0.3666667 0.0000000 -0.0000000), wk = 0.0045455 k( 24) = ( 0.3833333 -0.0000000 0.0000000), wk = 0.0045455 k( 25) = ( 0.4000000 0.0000000 0.0000000), wk = 0.0045455 k( 26) = ( 0.4166667 -0.0000000 0.0000000), wk = 0.0045455 k( 27) = ( 0.4333333 -0.0000000 0.0000000), wk = 0.0045455 k( 28) = ( 0.4500000 -0.0000000 0.0000000), wk = 0.0045455 k( 29) = ( 0.4666667 -0.0000000 0.0000000), wk = 0.0045455 k( 30) = ( 0.4833333 0.0000000 0.0000000), wk = 0.0045455 k( 31) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0045455 k( 32) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0045455 k( 33) = ( 0.5000000 0.0098685 -0.0098685), wk = 0.0045455 k( 34) = ( 0.5000000 0.0197370 -0.0197370), wk = 0.0045455 k( 35) = ( 0.5000000 0.0296054 -0.0296054), wk = 0.0045455 k( 36) = ( 0.5000000 0.0394739 -0.0394739), wk = 0.0045455 k( 37) = ( 0.5000000 0.0493424 -0.0493424), wk = 0.0045455 k( 38) = ( 0.5000000 0.0592109 -0.0592109), wk = 0.0045455 k( 39) = ( 0.5000000 0.0690794 -0.0690794), wk = 0.0045455 k( 40) = ( 0.5000000 0.0789478 -0.0789478), wk = 0.0045455 k( 41) = ( 0.5000000 0.0888163 -0.0888163), wk = 0.0045455 k( 42) = ( 0.5000000 0.0986848 -0.0986848), wk = 0.0045455 k( 43) = ( 0.5000000 0.1085533 -0.1085533), wk = 0.0045455 k( 44) = ( 0.5000000 0.1184218 -0.1184218), wk = 0.0045455 k( 45) = ( 0.5000000 0.1282902 -0.1282902), wk = 0.0045455 k( 46) = ( 0.5000000 0.1381587 -0.1381587), wk = 0.0045455 k( 47) = ( 0.5000000 0.1480272 -0.1480272), wk = 0.0045455 k( 48) = ( 0.5000000 0.1578957 -0.1578957), wk = 0.0045455 k( 49) = ( 0.5000000 0.1677642 -0.1677642), wk = 0.0045455 k( 50) = ( 0.5000000 0.1776326 -0.1776326), wk = 0.0045455 k( 51) = ( 0.5000000 0.1875011 -0.1875011), wk = 0.0045455 k( 52) = ( 0.5000000 0.1973696 -0.1973696), wk = 0.0045455 k( 53) = ( 0.5000000 0.2072381 -0.2072381), wk = 0.0045455 k( 54) = ( 0.5000000 0.2171066 -0.2171066), wk = 0.0045455 k( 55) = ( 0.5000000 0.2269750 -0.2269750), wk = 0.0045455 k( 56) = ( 0.5000000 0.2368435 -0.2368435), wk = 0.0045455 k( 57) = ( 0.7631565 0.5000000 0.2368435), wk = 0.0045455 k( 58) = ( 0.7530351 0.5000000 0.2469649), wk = 0.0045455 k( 59) = ( 0.7429137 0.5000000 0.2570863), wk = 0.0045455 k( 60) = ( 0.7327923 0.5000000 0.2672077), wk = 0.0045455 k( 61) = ( 0.7226709 0.5000000 0.2773291), wk = 0.0045455 k( 62) = ( 0.7125495 0.5000000 0.2874505), wk = 0.0045455 k( 63) = ( 0.7024281 0.5000000 0.2975719), wk = 0.0045455 k( 64) = ( 0.6923067 0.5000000 0.3076933), wk = 0.0045455 k( 65) = ( 0.6821853 0.5000000 0.3178147), wk = 0.0045455 k( 66) = ( 0.6720639 0.5000000 0.3279362), wk = 0.0045455 k( 67) = ( 0.6619424 0.5000000 0.3380576), wk = 0.0045455 k( 68) = ( 0.6518211 0.5000000 0.3481790), wk = 0.0045455 k( 69) = ( 0.6416996 0.5000000 0.3583004), wk = 0.0045455 k( 70) = ( 0.6315782 0.5000000 0.3684218), wk = 0.0045455 k( 71) = ( 0.6214568 0.5000000 0.3785432), wk = 0.0045455 k( 72) = ( 0.6113354 0.5000000 0.3886646), wk = 0.0045455 k( 73) = ( 0.6012140 0.5000000 0.3987860), wk = 0.0045455 k( 74) = ( 0.5910926 0.5000000 0.4089074), wk = 0.0045455 k( 75) = ( 0.5809712 0.5000000 0.4190288), wk = 0.0045455 k( 76) = ( 0.5708498 0.5000000 0.4291502), wk = 0.0045455 k( 77) = ( 0.5607284 0.5000000 0.4392716), wk = 0.0045455 k( 78) = ( 0.5506070 0.5000000 0.4493930), wk = 0.0045455 k( 79) = ( 0.5404856 0.5000000 0.4595144), wk = 0.0045455 k( 80) = ( 0.5303642 0.5000000 0.4696358), wk = 0.0045455 k( 81) = ( 0.5202428 0.5000000 0.4797572), wk = 0.0045455 k( 82) = ( 0.5101214 0.5000000 0.4898786), wk = 0.0045455 k( 83) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045455 k( 84) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045455 k( 85) = ( 0.4821429 0.4821429 0.4821429), wk = 0.0045455 k( 86) = ( 0.4642857 0.4642857 0.4642857), wk = 0.0045455 k( 87) = ( 0.4464286 0.4464286 0.4464286), wk = 0.0045455 k( 88) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0045455 k( 89) = ( 0.4107143 0.4107143 0.4107143), wk = 0.0045455 k( 90) = ( 0.3928571 0.3928571 0.3928571), wk = 0.0045455 k( 91) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0045455 k( 92) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0045455 k( 93) = ( 0.3392857 0.3392857 0.3392857), wk = 0.0045455 k( 94) = ( 0.3214286 0.3214286 0.3214286), wk = 0.0045455 k( 95) = ( 0.3035714 0.3035714 0.3035714), wk = 0.0045455 k( 96) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0045455 k( 97) = ( 0.2678571 0.2678571 0.2678571), wk = 0.0045455 k( 98) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0045455 k( 99) = ( 0.2321429 0.2321429 0.2321429), wk = 0.0045455 k( 100) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0045455 k( 101) = ( 0.1964286 0.1964286 0.1964286), wk = 0.0045455 k( 102) = ( 0.1785714 0.1785714 0.1785714), wk = 0.0045455 k( 103) = ( 0.1607143 0.1607143 0.1607143), wk = 0.0045455 k( 104) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0045455 k( 105) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0045455 k( 106) = ( 0.1071429 0.1071429 0.1071429), wk = 0.0045455 k( 107) = ( 0.0892857 0.0892857 0.0892857), wk = 0.0045455 k( 108) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0045455 k( 109) = ( 0.0535714 0.0535714 0.0535714), wk = 0.0045455 k( 110) = ( 0.0357143 0.0357143 0.0357143), wk = 0.0045455 k( 111) = ( 0.0178571 0.0178571 0.0178571), wk = 0.0045455 k( 112) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045455 k( 113) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045455 k( 114) = ( 0.0102339 -0.0000000 -0.0102339), wk = 0.0045455 k( 115) = ( 0.0204679 -0.0000000 -0.0204679), wk = 0.0045455 k( 116) = ( 0.0307018 -0.0000000 -0.0307018), wk = 0.0045455 k( 117) = ( 0.0409357 -0.0000000 -0.0409357), wk = 0.0045455 k( 118) = ( 0.0511697 -0.0000000 -0.0511697), wk = 0.0045455 k( 119) = ( 0.0614036 -0.0000000 -0.0614036), wk = 0.0045455 k( 120) = ( 0.0716376 -0.0000000 -0.0716376), wk = 0.0045455 k( 121) = ( 0.0818715 -0.0000000 -0.0818715), wk = 0.0045455 k( 122) = ( 0.0921054 -0.0000000 -0.0921054), wk = 0.0045455 k( 123) = ( 0.1023394 -0.0000000 -0.1023394), wk = 0.0045455 k( 124) = ( 0.1125733 -0.0000000 -0.1125733), wk = 0.0045455 k( 125) = ( 0.1228073 0.0000000 -0.1228073), wk = 0.0045455 k( 126) = ( 0.1330412 0.0000000 -0.1330412), wk = 0.0045455 k( 127) = ( 0.1432751 -0.0000000 -0.1432751), wk = 0.0045455 k( 128) = ( 0.1535091 0.0000000 -0.1535091), wk = 0.0045455 k( 129) = ( 0.1637430 -0.0000000 -0.1637430), wk = 0.0045455 k( 130) = ( 0.1739769 0.0000000 -0.1739769), wk = 0.0045455 k( 131) = ( 0.1842109 -0.0000000 -0.1842109), wk = 0.0045455 k( 132) = ( 0.1944448 0.0000000 -0.1944448), wk = 0.0045455 k( 133) = ( 0.2046788 -0.0000000 -0.2046788), wk = 0.0045455 k( 134) = ( 0.2149127 0.0000000 -0.2149127), wk = 0.0045455 k( 135) = ( 0.2251466 -0.0000000 -0.2251466), wk = 0.0045455 k( 136) = ( 0.2353806 0.0000000 -0.2353806), wk = 0.0045455 k( 137) = ( 0.2456145 0.0000000 -0.2456145), wk = 0.0045455 k( 138) = ( 0.2558484 -0.0000000 -0.2558484), wk = 0.0045455 k( 139) = ( 0.2660824 0.0000000 -0.2660824), wk = 0.0045455 k( 140) = ( 0.2763163 -0.0000000 -0.2763163), wk = 0.0045455 k( 141) = ( 0.2865503 -0.0000000 -0.2865503), wk = 0.0045455 k( 142) = ( 0.2967842 0.0000000 -0.2967842), wk = 0.0045455 k( 143) = ( 0.3070181 -0.0000000 -0.3070181), wk = 0.0045455 k( 144) = ( 0.3172521 0.0000000 -0.3172521), wk = 0.0045455 k( 145) = ( 0.3274860 0.0000000 -0.3274860), wk = 0.0045455 k( 146) = ( 0.3377199 0.0000000 -0.3377199), wk = 0.0045455 k( 147) = ( 0.3479539 0.0000000 -0.3479539), wk = 0.0045455 k( 148) = ( 0.3581878 -0.0000000 -0.3581878), wk = 0.0045455 k( 149) = ( 0.3684218 -0.0000000 -0.3684218), wk = 0.0045455 k( 150) = ( 0.6315782 0.3684218 -0.0000000), wk = 0.0045455 k( 151) = ( 0.6214568 0.3785432 0.0000000), wk = 0.0045455 k( 152) = ( 0.6113354 0.3886646 -0.0000000), wk = 0.0045455 k( 153) = ( 0.6012140 0.3987860 -0.0000000), wk = 0.0045455 k( 154) = ( 0.5910926 0.4089074 -0.0000000), wk = 0.0045455 k( 155) = ( 0.5809712 0.4190288 0.0000000), wk = 0.0045455 k( 156) = ( 0.5708498 0.4291502 -0.0000000), wk = 0.0045455 k( 157) = ( 0.5607284 0.4392716 -0.0000000), wk = 0.0045455 k( 158) = ( 0.5506070 0.4493930 -0.0000000), wk = 0.0045455 k( 159) = ( 0.5404856 0.4595144 -0.0000000), wk = 0.0045455 k( 160) = ( 0.5303642 0.4696358 -0.0000000), wk = 0.0045455 k( 161) = ( 0.5202428 0.4797572 0.0000000), wk = 0.0045455 k( 162) = ( 0.5101214 0.4898786 -0.0000000), wk = 0.0045455 k( 163) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0045455 k( 164) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0045455 k( 165) = ( 0.5119617 0.5119617 0.0215312), wk = 0.0045455 k( 166) = ( 0.5239233 0.5239233 0.0430625), wk = 0.0045455 k( 167) = ( 0.5358850 0.5358850 0.0645937), wk = 0.0045455 k( 168) = ( 0.5478466 0.5478466 0.0861249), wk = 0.0045455 k( 169) = ( 0.5598083 0.5598083 0.1076561), wk = 0.0045455 k( 170) = ( 0.5717699 0.5717699 0.1291874), wk = 0.0045455 k( 171) = ( 0.5837316 0.5837316 0.1507186), wk = 0.0045455 k( 172) = ( 0.5956933 0.5956933 0.1722498), wk = 0.0045455 k( 173) = ( 0.6076549 0.6076549 0.1937811), wk = 0.0045455 k( 174) = ( 0.6196166 0.6196166 0.2153123), wk = 0.0045455 k( 175) = ( 0.6315782 0.6315782 0.2368435), wk = 0.0045455 k( 176) = ( 0.6315782 0.6315782 0.2368435), wk = 0.0045455 k( 177) = ( 0.6258575 0.6258575 0.2482851), wk = 0.0045455 k( 178) = ( 0.6201366 0.6201366 0.2597267), wk = 0.0045455 k( 179) = ( 0.6144159 0.6144159 0.2711683), wk = 0.0045455 k( 180) = ( 0.6086951 0.6086951 0.2826099), wk = 0.0045455 k( 181) = ( 0.6029743 0.6029743 0.2940515), wk = 0.0045455 k( 182) = ( 0.5972535 0.5972535 0.3054930), wk = 0.0045455 k( 183) = ( 0.5915327 0.5915327 0.3169346), wk = 0.0045455 k( 184) = ( 0.5858119 0.5858119 0.3283762), wk = 0.0045455 k( 185) = ( 0.5800911 0.5800911 0.3398178), wk = 0.0045455 k( 186) = ( 0.5743703 0.5743703 0.3512594), wk = 0.0045455 k( 187) = ( 0.5686495 0.5686495 0.3627010), wk = 0.0045455 k( 188) = ( 0.5629287 0.5629287 0.3741426), wk = 0.0045455 k( 189) = ( 0.5572079 0.5572079 0.3855841), wk = 0.0045455 k( 190) = ( 0.5514871 0.5514871 0.3970257), wk = 0.0045455 k( 191) = ( 0.5457663 0.5457663 0.4084673), wk = 0.0045455 k( 192) = ( 0.5400455 0.5400455 0.4199089), wk = 0.0045455 k( 193) = ( 0.5343248 0.5343248 0.4313505), wk = 0.0045455 k( 194) = ( 0.5286040 0.5286040 0.4427921), wk = 0.0045455 k( 195) = ( 0.5228832 0.5228832 0.4542337), wk = 0.0045455 k( 196) = ( 0.5171624 0.5171624 0.4656752), wk = 0.0045455 k( 197) = ( 0.5114416 0.5114416 0.4771168), wk = 0.0045455 k( 198) = ( 0.5057208 0.5057208 0.4885584), wk = 0.0045455 k( 199) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045455 k( 200) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0045455 k( 201) = ( 0.5131578 0.0184211 0.0184211), wk = 0.0045455 k( 202) = ( 0.5263157 0.0368422 0.0368422), wk = 0.0045455 k( 203) = ( 0.5394735 0.0552633 0.0552633), wk = 0.0045455 k( 204) = ( 0.5526313 0.0736844 0.0736844), wk = 0.0045455 k( 205) = ( 0.5657891 0.0921054 0.0921054), wk = 0.0045455 k( 206) = ( 0.5789469 0.1105265 0.1105265), wk = 0.0045455 k( 207) = ( 0.5921048 0.1289476 0.1289476), wk = 0.0045455 k( 208) = ( 0.6052626 0.1473687 0.1473687), wk = 0.0045455 k( 209) = ( 0.6184204 0.1657898 0.1657898), wk = 0.0045455 k( 210) = ( 0.6315782 0.1842109 0.1842109), wk = 0.0045455 k( 211) = ( 0.6447361 0.2026320 0.2026320), wk = 0.0045455 k( 212) = ( 0.6578939 0.2210531 0.2210531), wk = 0.0045455 k( 213) = ( 0.6710517 0.2394741 0.2394741), wk = 0.0045455 k( 214) = ( 0.6842095 0.2578952 0.2578952), wk = 0.0045455 k( 215) = ( 0.6973674 0.2763163 0.2763163), wk = 0.0045455 k( 216) = ( 0.7105252 0.2947374 0.2947374), wk = 0.0045455 k( 217) = ( 0.7236830 0.3131585 0.3131585), wk = 0.0045455 k( 218) = ( 0.7368408 0.3315796 0.3315796), wk = 0.0045455 k( 219) = ( 0.7499987 0.3500007 0.3500007), wk = 0.0045455 k( 220) = ( 0.7631565 0.3684218 0.3684218), wk = 0.0045455 Dense grid: 58445 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 48241 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.30 Mb ( 342, 58) NL pseudopotentials 0.89 Mb ( 171, 340) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1624) G-vector shells 0.01 Mb ( 1366) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.21 Mb ( 342, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.60 Mb ( 340, 2, 58) The potential is recalculated from file : ./Al2S3.save/charge-density.dat Starting wfc are 80 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.1 secs Computing kpt #: 2 total cpu time spent up to now is 6.2 secs Computing kpt #: 3 total cpu time spent up to now is 7.9 secs Computing kpt #: 4 total cpu time spent up to now is 9.0 secs Computing kpt #: 5 total cpu time spent up to now is 10.0 secs Computing kpt #: 6 total cpu time spent up to now is 11.1 secs Computing kpt #: 7 total cpu time spent up to now is 12.1 secs Computing kpt #: 8 total cpu time spent up to now is 13.1 secs Computing kpt #: 9 total cpu time spent up to now is 14.0 secs Computing kpt #: 10 total cpu time spent up to now is 14.9 secs Computing kpt #: 11 total cpu time spent up to now is 15.8 secs Computing kpt #: 12 total cpu time spent up to now is 16.7 secs Computing kpt #: 13 total cpu time spent up to now is 17.6 secs Computing kpt #: 14 total cpu time spent up to now is 18.5 secs Computing kpt #: 15 total cpu time spent up to now is 19.5 secs Computing kpt #: 16 total cpu time spent up to now is 20.6 secs Computing kpt #: 17 total cpu time spent up to now is 21.7 secs Computing kpt #: 18 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 24.1 secs Computing kpt #: 19 total cpu time spent up to now is 25.3 secs Computing kpt #: 20 total cpu time spent up to now is 26.4 secs Computing kpt #: 21 total cpu time spent up to now is 27.5 secs Computing kpt #: 22 total cpu time spent up to now is 28.6 secs Computing kpt #: 23 total cpu time spent up to now is 29.7 secs Computing kpt #: 24 total cpu time spent up to now is 30.7 secs Computing kpt #: 25 total cpu time spent up to now is 31.7 secs Computing kpt #: 26 total cpu time spent up to now is 32.7 secs Computing kpt #: 27 total cpu time spent up to now is 33.7 secs Computing kpt #: 28 total cpu time spent up to now is 34.8 secs Computing kpt #: 29 total cpu time spent up to now is 35.9 secs Computing kpt #: 30 total cpu time spent up to now is 37.0 secs Computing kpt #: 31 total cpu time spent up to now is 38.1 secs Computing kpt #: 32 total cpu time spent up to now is 39.1 secs Computing kpt #: 33 total cpu time spent up to now is 40.1 secs Computing kpt #: 34 total cpu time spent up to now is 41.2 secs Computing kpt #: 35 total cpu time spent up to now is 42.2 secs Computing kpt #: 36 total cpu time spent up to now is 43.2 secs Computing kpt #: 37 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 45.7 secs Computing kpt #: 38 total cpu time spent up to now is 47.5 secs Computing kpt #: 39 total cpu time spent up to now is 48.7 secs Computing kpt #: 40 total cpu time spent up to now is 49.8 secs Computing kpt #: 41 total cpu time spent up to now is 50.9 secs Computing kpt #: 42 total cpu time spent up to now is 51.9 secs Computing kpt #: 43 total cpu time spent up to now is 53.0 secs Computing kpt #: 44 total cpu time spent up to now is 54.0 secs Computing kpt #: 45 total cpu time spent up to now is 55.0 secs Computing kpt #: 46 total cpu time spent up to now is 56.1 secs Computing kpt #: 47 total cpu time spent up to now is 57.1 secs Computing kpt #: 48 total cpu time spent up to now is 58.2 secs Computing kpt #: 49 total cpu time spent up to now is 59.2 secs Computing kpt #: 50 total cpu time spent up to now is 60.3 secs Computing kpt #: 51 total cpu time spent up to now is 61.3 secs Computing kpt #: 52 total cpu time spent up to now is 62.4 secs Computing kpt #: 53 total cpu time spent up to now is 63.4 secs Computing kpt #: 54 total cpu time spent up to now is 64.5 secs Computing kpt #: 55 total cpu time spent up to now is 65.5 secs Computing kpt #: 56 total cpu time spent up to now is 66.6 secs Computing kpt #: 57 total cpu time spent up to now is 67.7 secs Computing kpt #: 58 total cpu time spent up to now is 68.7 secs Computing kpt #: 59 total cpu time spent up to now is 69.8 secs Computing kpt #: 60 total cpu time spent up to now is 70.9 secs Computing kpt #: 61 total cpu time spent up to now is 72.1 secs Computing kpt #: 62 total cpu time spent up to now is 72.9 secs Computing kpt #: 63 total cpu time spent up to now is 74.1 secs Computing kpt #: 64 total cpu time spent up to now is 75.4 secs Computing kpt #: 65 total cpu time spent up to now is 76.5 secs Computing kpt #: 66 total cpu time spent up to now is 77.7 secs Computing kpt #: 67 total cpu time spent up to now is 78.8 secs Computing kpt #: 68 total cpu time spent up to now is 79.9 secs Computing kpt #: 69 total cpu time spent up to now is 81.1 secs Computing kpt #: 70 total cpu time spent up to now is 83.0 secs Computing kpt #: 71 total cpu time spent up to now is 84.1 secs Computing kpt #: 72 total cpu time spent up to now is 85.2 secs Computing kpt #: 73 total cpu time spent up to now is 86.4 secs Computing kpt #: 74 total cpu time spent up to now is 87.6 secs Computing kpt #: 75 total cpu time spent up to now is 88.8 secs Computing kpt #: 76 total cpu time spent up to now is 90.5 secs Computing kpt #: 77 total cpu time spent up to now is 92.3 secs Computing kpt #: 78 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 94.7 secs Computing kpt #: 79 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 97.1 secs Computing kpt #: 80 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 99.5 secs Computing kpt #: 81 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 101.9 secs Computing kpt #: 82 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 104.3 secs Computing kpt #: 83 total cpu time spent up to now is 105.4 secs Computing kpt #: 84 total cpu time spent up to now is 106.4 secs Computing kpt #: 85 total cpu time spent up to now is 107.4 secs Computing kpt #: 86 total cpu time spent up to now is 108.4 secs Computing kpt #: 87 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 110.8 secs Computing kpt #: 88 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 113.2 secs Computing kpt #: 89 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 115.6 secs Computing kpt #: 90 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 117.9 secs Computing kpt #: 91 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 120.3 secs Computing kpt #: 92 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 122.6 secs Computing kpt #: 93 total cpu time spent up to now is 124.1 secs Computing kpt #: 94 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 126.4 secs Computing kpt #: 95 total cpu time spent up to now is 127.5 secs Computing kpt #: 96 total cpu time spent up to now is 128.6 secs Computing kpt #: 97 total cpu time spent up to now is 129.7 secs Computing kpt #: 98 total cpu time spent up to now is 130.8 secs Computing kpt #: 99 total cpu time spent up to now is 131.9 secs Computing kpt #: 100 total cpu time spent up to now is 132.9 secs Computing kpt #: 101 total cpu time spent up to now is 133.9 secs Computing kpt #: 102 total cpu time spent up to now is 134.9 secs Computing kpt #: 103 total cpu time spent up to now is 135.9 secs Computing kpt #: 104 total cpu time spent up to now is 136.9 secs Computing kpt #: 105 total cpu time spent up to now is 137.9 secs Computing kpt #: 106 total cpu time spent up to now is 138.9 secs Computing kpt #: 107 total cpu time spent up to now is 139.9 secs Computing kpt #: 108 total cpu time spent up to now is 141.0 secs Computing kpt #: 109 total cpu time spent up to now is 142.2 secs Computing kpt #: 110 total cpu time spent up to now is 143.3 secs Computing kpt #: 111 total cpu time spent up to now is 144.6 secs Computing kpt #: 112 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 147.0 secs Computing kpt #: 113 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 149.3 secs Computing kpt #: 114 total cpu time spent up to now is 150.8 secs Computing kpt #: 115 total cpu time spent up to now is 151.8 secs Computing kpt #: 116 total cpu time spent up to now is 152.9 secs Computing kpt #: 117 total cpu time spent up to now is 154.0 secs Computing kpt #: 118 total cpu time spent up to now is 155.0 secs Computing kpt #: 119 total cpu time spent up to now is 156.0 secs Computing kpt #: 120 total cpu time spent up to now is 157.2 secs Computing kpt #: 121 total cpu time spent up to now is 158.3 secs Computing kpt #: 122 total cpu time spent up to now is 159.2 secs Computing kpt #: 123 total cpu time spent up to now is 160.1 secs Computing kpt #: 124 total cpu time spent up to now is 161.0 secs Computing kpt #: 125 total cpu time spent up to now is 161.8 secs Computing kpt #: 126 total cpu time spent up to now is 162.6 secs Computing kpt #: 127 total cpu time spent up to now is 163.5 secs Computing kpt #: 128 total cpu time spent up to now is 164.3 secs Computing kpt #: 129 total cpu time spent up to now is 165.1 secs Computing kpt #: 130 total cpu time spent up to now is 165.9 secs Computing kpt #: 131 total cpu time spent up to now is 166.7 secs Computing kpt #: 132 total cpu time spent up to now is 167.5 secs Computing kpt #: 133 total cpu time spent up to now is 168.3 secs Computing kpt #: 134 total cpu time spent up to now is 169.2 secs Computing kpt #: 135 total cpu time spent up to now is 170.0 secs Computing kpt #: 136 total cpu time spent up to now is 170.9 secs Computing kpt #: 137 total cpu time spent up to now is 171.7 secs Computing kpt #: 138 total cpu time spent up to now is 172.6 secs Computing kpt #: 139 total cpu time spent up to now is 173.4 secs Computing kpt #: 140 total cpu time spent up to now is 174.3 secs Computing kpt #: 141 total cpu time spent up to now is 175.2 secs Computing kpt #: 142 total cpu time spent up to now is 176.2 secs Computing kpt #: 143 total cpu time spent up to now is 177.2 secs Computing kpt #: 144 total cpu time spent up to now is 178.2 secs Computing kpt #: 145 total cpu time spent up to now is 179.1 secs Computing kpt #: 146 total cpu time spent up to now is 180.1 secs Computing kpt #: 147 total cpu time spent up to now is 181.1 secs Computing kpt #: 148 total cpu time spent up to now is 182.0 secs Computing kpt #: 149 total cpu time spent up to now is 182.8 secs Computing kpt #: 150 total cpu time spent up to now is 183.7 secs Computing kpt #: 151 total cpu time spent up to now is 184.5 secs Computing kpt #: 152 total cpu time spent up to now is 185.4 secs Computing kpt #: 153 total cpu time spent up to now is 186.2 secs Computing kpt #: 154 total cpu time spent up to now is 187.1 secs Computing kpt #: 155 total cpu time spent up to now is 187.9 secs Computing kpt #: 156 total cpu time spent up to now is 188.8 secs Computing kpt #: 157 total cpu time spent up to now is 189.6 secs Computing kpt #: 158 total cpu time spent up to now is 190.5 secs Computing kpt #: 159 total cpu time spent up to now is 191.3 secs Computing kpt #: 160 total cpu time spent up to now is 192.3 secs Computing kpt #: 161 total cpu time spent up to now is 193.4 secs Computing kpt #: 162 total cpu time spent up to now is 194.4 secs Computing kpt #: 163 total cpu time spent up to now is 195.5 secs Computing kpt #: 164 total cpu time spent up to now is 196.6 secs Computing kpt #: 165 total cpu time spent up to now is 197.6 secs Computing kpt #: 166 total cpu time spent up to now is 198.7 secs Computing kpt #: 167 total cpu time spent up to now is 199.7 secs Computing kpt #: 168 total cpu time spent up to now is 200.7 secs Computing kpt #: 169 total cpu time spent up to now is 201.7 secs Computing kpt #: 170 total cpu time spent up to now is 202.7 secs Computing kpt #: 171 total cpu time spent up to now is 203.6 secs Computing kpt #: 172 total cpu time spent up to now is 204.5 secs Computing kpt #: 173 total cpu time spent up to now is 205.4 secs Computing kpt #: 174 total cpu time spent up to now is 206.3 secs Computing kpt #: 175 total cpu time spent up to now is 207.2 secs Computing kpt #: 176 total cpu time spent up to now is 208.1 secs Computing kpt #: 177 total cpu time spent up to now is 209.0 secs Computing kpt #: 178 total cpu time spent up to now is 209.9 secs Computing kpt #: 179 total cpu time spent up to now is 210.8 secs Computing kpt #: 180 total cpu time spent up to now is 211.7 secs Computing kpt #: 181 total cpu time spent up to now is 212.7 secs Computing kpt #: 182 total cpu time spent up to now is 213.8 secs Computing kpt #: 183 total cpu time spent up to now is 214.9 secs Computing kpt #: 184 total cpu time spent up to now is 216.0 secs Computing kpt #: 185 total cpu time spent up to now is 217.2 secs Computing kpt #: 186 total cpu time spent up to now is 218.3 secs Computing kpt #: 187 total cpu time spent up to now is 219.4 secs Computing kpt #: 188 total cpu time spent up to now is 220.6 secs Computing kpt #: 189 total cpu time spent up to now is 221.6 secs Computing kpt #: 190 total cpu time spent up to now is 222.7 secs Computing kpt #: 191 total cpu time spent up to now is 223.7 secs Computing kpt #: 192 total cpu time spent up to now is 224.7 secs Computing kpt #: 193 total cpu time spent up to now is 225.8 secs Computing kpt #: 194 total cpu time spent up to now is 226.9 secs Computing kpt #: 195 total cpu time spent up to now is 228.1 secs Computing kpt #: 196 total cpu time spent up to now is 229.3 secs Computing kpt #: 197 total cpu time spent up to now is 231.2 secs Computing kpt #: 198 total cpu time spent up to now is 233.5 secs Computing kpt #: 199 total cpu time spent up to now is 234.5 secs Computing kpt #: 200 total cpu time spent up to now is 235.6 secs Computing kpt #: 201 total cpu time spent up to now is 237.0 secs Computing kpt #: 202 total cpu time spent up to now is 238.3 secs Computing kpt #: 203 total cpu time spent up to now is 239.5 secs Computing kpt #: 204 total cpu time spent up to now is 240.7 secs Computing kpt #: 205 total cpu time spent up to now is 241.9 secs Computing kpt #: 206 total cpu time spent up to now is 243.0 secs Computing kpt #: 207 total cpu time spent up to now is 244.1 secs Computing kpt #: 208 total cpu time spent up to now is 245.2 secs Computing kpt #: 209 total cpu time spent up to now is 246.2 secs Computing kpt #: 210 total cpu time spent up to now is 247.3 secs Computing kpt #: 211 total cpu time spent up to now is 248.4 secs Computing kpt #: 212 total cpu time spent up to now is 249.4 secs Computing kpt #: 213 total cpu time spent up to now is 250.5 secs Computing kpt #: 214 total cpu time spent up to now is 251.6 secs Computing kpt #: 215 total cpu time spent up to now is 252.6 secs Computing kpt #: 216 total cpu time spent up to now is 253.7 secs Computing kpt #: 217 total cpu time spent up to now is 254.7 secs Computing kpt #: 218 total cpu time spent up to now is 255.5 secs Computing kpt #: 219 total cpu time spent up to now is 256.4 secs Computing kpt #: 220 total cpu time spent up to now is 257.3 secs ethr = 2.08E-08, avg # of iterations = 35.1 total cpu time spent up to now is 257.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5979 PWs) bands (ev): -8.6207 -8.6207 -7.0696 -7.0696 -6.9566 -6.9566 -6.9558 -6.9558 -6.6553 -6.6553 -6.6550 -6.6550 -1.6988 -1.6988 -1.3700 -1.3700 0.0986 0.0986 0.1106 0.1106 0.5649 0.5649 0.6645 0.6645 1.1696 1.1696 1.1955 1.1955 1.8493 1.8493 3.3493 3.3493 3.3560 3.3560 3.5186 3.5186 3.5214 3.5214 3.8611 3.8611 3.8910 3.8910 4.0479 4.0479 4.2285 4.2285 4.2610 4.2610 5.6451 5.6451 7.0816 7.0816 7.6726 7.6726 9.2910 9.2910 9.3004 9.3004 k = 0.0167-0.0111-0.0077 ( 5974 PWs) bands (ev): -8.6198 -8.6198 -7.0703 -7.0703 -6.9568 -6.9568 -6.9560 -6.9560 -6.6558 -6.6558 -6.6552 -6.6552 -1.6975 -1.6975 -1.3691 -1.3691 0.0921 0.0921 0.1096 0.1096 0.5714 0.5714 0.6660 0.6660 1.1721 1.1721 1.1988 1.1988 1.8533 1.8533 3.3377 3.3377 3.3527 3.3527 3.5183 3.5183 3.5265 3.5265 3.8564 3.8564 3.8853 3.8853 4.0496 4.0496 4.2263 4.2263 4.2587 4.2587 5.6571 5.6571 7.0815 7.0815 7.6770 7.6770 9.2514 9.2514 9.2899 9.2900 k = 0.0333-0.0223-0.0153 ( 5984 PWs) bands (ev): -8.6172 -8.6172 -7.0726 -7.0726 -6.9576 -6.9576 -6.9565 -6.9565 -6.6576 -6.6576 -6.6555 -6.6555 -1.6936 -1.6936 -1.3666 -1.3666 0.0660 0.0660 0.1159 0.1159 0.5829 0.5829 0.6770 0.6770 1.1751 1.1751 1.2126 1.2126 1.8652 1.8652 3.3008 3.3008 3.3502 3.3502 3.5142 3.5142 3.5399 3.5399 3.8428 3.8428 3.8695 3.8695 4.0522 4.0522 4.2184 4.2184 4.2557 4.2557 5.6921 5.6921 7.0812 7.0812 7.6900 7.6900 9.2052 9.2052 9.2757 9.2757 k = 0.0500-0.0334-0.0230 ( 5984 PWs) bands (ev): -8.6128 -8.6128 -7.0767 -7.0767 -6.9588 -6.9588 -6.9572 -6.9572 -6.6606 -6.6606 -6.6560 -6.6560 -1.6873 -1.6873 -1.3623 -1.3623 0.0264 0.0264 0.1286 0.1286 0.5835 0.5835 0.7092 0.7092 1.1752 1.1752 1.2393 1.2393 1.8845 1.8845 3.2476 3.2476 3.3463 3.3463 3.5069 3.5069 3.5542 3.5542 3.8210 3.8210 3.8461 3.8461 4.0491 4.0491 4.2068 4.2068 4.2560 4.2560 5.7471 5.7471 7.0807 7.0807 7.7112 7.7112 9.1624 9.1624 9.2541 9.2541 k = 0.0667-0.0445-0.0307 ( 5989 PWs) bands (ev): -8.6067 -8.6067 -7.0827 -7.0827 -6.9603 -6.9603 -6.9580 -6.9580 -6.6649 -6.6649 -6.6567 -6.6567 -1.6784 -1.6784 -1.3563 -1.3563 -0.0209 -0.0209 0.1468 0.1468 0.5718 0.5718 0.7609 0.7609 1.1737 1.1737 1.2763 1.2763 1.9108 1.9108 3.1828 3.1828 3.3399 3.3399 3.4962 3.4962 3.5657 3.5657 3.7905 3.7905 3.8185 3.8185 4.0345 4.0345 4.2005 4.2005 4.2584 4.2584 5.8184 5.8184 7.0798 7.0798 7.7394 7.7394 9.1236 9.1236 9.2247 9.2247 k = 0.0833-0.0557-0.0383 ( 5986 PWs) bands (ev): -8.5989 -8.5989 -7.0909 -7.0909 -6.9615 -6.9615 -6.9591 -6.9591 -6.6702 -6.6702 -6.6576 -6.6576 -1.6670 -1.6670 -1.3485 -1.3485 -0.0724 -0.0724 0.1699 0.1699 0.5537 0.5537 0.8243 0.8243 1.1721 1.1721 1.3210 1.3210 1.9433 1.9433 3.1090 3.1090 3.3296 3.3296 3.4823 3.4823 3.5729 3.5729 3.7493 3.7493 3.7909 3.7909 4.0093 4.0093 4.2028 4.2028 4.2611 4.2611 5.9019 5.9019 7.0786 7.0786 7.7735 7.7735 9.0896 9.0896 9.1867 9.1867 k = 0.1000-0.0668-0.0460 ( 5978 PWs) bands (ev): -8.5893 -8.5893 -7.1017 -7.1017 -6.9623 -6.9623 -6.9603 -6.9603 -6.6765 -6.6765 -6.6587 -6.6587 -1.6531 -1.6531 -1.3390 -1.3390 -0.1259 -0.1259 0.1979 0.1979 0.5332 0.5332 0.8946 0.8946 1.1713 1.1713 1.3717 1.3717 1.9813 1.9813 3.0277 3.0277 3.3132 3.3132 3.4663 3.4663 3.5754 3.5754 3.6970 3.6970 3.7655 3.7655 3.9798 3.9798 4.2107 4.2107 4.2630 4.2630 5.9945 5.9945 7.0769 7.0769 7.8115 7.8115 9.0609 9.0609 9.1397 9.1397 k = 0.1167-0.0779-0.0536 ( 5985 PWs) bands (ev): -8.5781 -8.5781 -7.1153 -7.1153 -6.9624 -6.9624 -6.9615 -6.9615 -6.6839 -6.6839 -6.6602 -6.6602 -1.6370 -1.6370 -1.3276 -1.3276 -0.1802 -0.1802 0.2304 0.2304 0.5120 0.5120 0.9697 0.9697 1.1721 1.1721 1.4271 1.4271 2.0240 2.0240 2.9405 2.9405 3.2879 3.2879 3.4502 3.4502 3.5715 3.5715 3.6362 3.6362 3.7435 3.7435 3.9514 3.9514 4.2202 4.2202 4.2639 4.2639 6.0930 6.0930 7.0747 7.0747 7.8516 7.8516 9.0382 9.0382 9.0845 9.0845 k = 0.1333-0.0891-0.0613 ( 5987 PWs) bands (ev): -8.5651 -8.5651 -7.1316 -7.1316 -6.9630 -6.9630 -6.9614 -6.9614 -6.6921 -6.6921 -6.6619 -6.6619 -1.6186 -1.6186 -1.3142 -1.3142 -0.2346 -0.2346 0.2671 0.2671 0.4913 0.4913 1.0481 1.0481 1.1750 1.1750 1.4861 1.4861 2.0709 2.0709 2.8484 2.8484 3.2517 3.2517 3.4360 3.4360 3.5461 3.5461 3.5842 3.5842 3.7251 3.7251 3.9263 3.9263 4.2286 4.2286 4.2640 4.2640 6.1951 6.1951 7.0718 7.0718 7.8909 7.8909 9.0192 9.0192 9.0254 9.0254 k = 0.1500-0.1002-0.0690 ( 5996 PWs) bands (ev): -8.5505 -8.5505 -7.1506 -7.1506 -6.9644 -6.9644 -6.9597 -6.9597 -6.7011 -6.7011 -6.6639 -6.6639 -1.5983 -1.5983 -1.2987 -1.2987 -0.2884 -0.2884 0.3078 0.3078 0.4717 0.4717 1.1289 1.1289 1.1808 1.1808 1.5480 1.5480 2.1211 2.1211 2.7529 2.7529 3.2048 3.2048 3.4237 3.4237 3.4780 3.4780 3.5653 3.5653 3.7100 3.7100 3.9048 3.9048 4.2335 4.2335 4.2641 4.2641 6.2989 6.2989 7.0682 7.0682 7.9265 7.9265 8.9553 8.9553 9.0139 9.0139 k = 0.1667-0.1114-0.0766 ( 6004 PWs) bands (ev): -8.5342 -8.5342 -7.1724 -7.1724 -6.9658 -6.9658 -6.9572 -6.9572 -6.7107 -6.7107 -6.6663 -6.6663 -1.5762 -1.5762 -1.2807 -1.2807 -0.3415 -0.3415 0.3521 0.3521 0.4537 0.4537 1.1879 1.1879 1.2130 1.2130 1.6120 1.6120 2.1738 2.1738 2.6553 2.6553 3.1492 3.1492 3.3882 3.3882 3.4240 3.4240 3.5493 3.5493 3.6976 3.6976 3.8863 3.8863 4.2336 4.2336 4.2650 4.2650 6.4028 6.4028 7.0637 7.0637 7.9547 7.9547 8.8868 8.8868 9.0131 9.0131 k = 0.1833-0.1225-0.0843 ( 6012 PWs) bands (ev): -8.5163 -8.5163 -7.1967 -7.1967 -6.9671 -6.9671 -6.9538 -6.9538 -6.7210 -6.7210 -6.6691 -6.6691 -1.5528 -1.5528 -1.2600 -1.2600 -0.3935 -0.3935 0.3993 0.3993 0.4377 0.4377 1.2005 1.2005 1.2962 1.2962 1.6773 1.6773 2.2282 2.2282 2.5570 2.5570 3.0874 3.0874 3.3061 3.3061 3.4143 3.4143 3.5300 3.5300 3.6872 3.6872 3.8703 3.8703 4.2293 4.2293 4.2662 4.2662 6.5053 6.5053 7.0582 7.0582 7.9718 7.9718 8.8191 8.8191 9.0207 9.0207 k = 0.2000-0.1336-0.0920 ( 6015 PWs) bands (ev): -8.4968 -8.4968 -7.2233 -7.2233 -6.9684 -6.9684 -6.9496 -6.9496 -6.7317 -6.7317 -6.6722 -6.6722 -1.5284 -1.5284 -1.2361 -1.2361 -0.4443 -0.4443 0.4210 0.4210 0.4519 0.4519 1.2161 1.2161 1.3804 1.3804 1.7430 1.7430 2.2830 2.2830 2.4601 2.4601 3.0223 3.0223 3.2188 3.2188 3.4087 3.4087 3.5068 3.5068 3.6778 3.6778 3.8562 3.8562 4.2217 4.2217 4.2664 4.2664 6.6055 6.6055 7.0517 7.0517 7.9740 7.9740 8.7546 8.7546 9.0372 9.0372 k = 0.2167-0.1448-0.0996 ( 6021 PWs) bands (ev): -8.4757 -8.4757 -7.2522 -7.2522 -6.9694 -6.9694 -6.9447 -6.9447 -6.7429 -6.7429 -6.6758 -6.6758 -1.5035 -1.5035 -1.2088 -1.2088 -0.4939 -0.4939 0.4085 0.4085 0.5044 0.5044 1.2355 1.2355 1.4639 1.4639 1.8076 1.8076 2.3346 2.3346 2.3693 2.3693 2.9568 2.9568 3.1298 3.1298 3.4038 3.4038 3.4796 3.4796 3.6687 3.6687 3.8434 3.8434 4.2118 4.2118 4.2649 4.2649 6.7024 6.7024 7.0441 7.0441 7.9588 7.9588 8.6950 8.6950 9.0627 9.0627 k = 0.2333-0.1559-0.1073 ( 6023 PWs) bands (ev): -8.4530 -8.4530 -7.2830 -7.2830 -6.9703 -6.9703 -6.9393 -6.9393 -6.7543 -6.7543 -6.6798 -6.6798 -1.4785 -1.4785 -1.1775 -1.1775 -0.5421 -0.5421 0.3968 0.3968 0.5596 0.5596 1.2586 1.2586 1.5449 1.5449 1.8682 1.8682 2.2812 2.2812 2.3883 2.3883 2.8948 2.8948 3.0402 3.0402 3.3990 3.3990 3.4486 3.4486 3.6594 3.6594 3.8315 3.8315 4.2002 4.2002 4.2614 4.2614 6.7953 6.7953 7.0354 7.0354 7.9257 7.9257 8.6407 8.6407 9.0972 9.0972 k = 0.2500-0.1670-0.1150 ( 6017 PWs) bands (ev): -8.4288 -8.4288 -7.3157 -7.3157 -6.9708 -6.9708 -6.9332 -6.9332 -6.7659 -6.7659 -6.6842 -6.6842 -1.4539 -1.4539 -1.1419 -1.1419 -0.5889 -0.5889 0.3860 0.3860 0.6167 0.6167 1.2856 1.2856 1.6197 1.6197 1.9189 1.9189 2.2160 2.2160 2.4287 2.4287 2.8422 2.8422 2.9508 2.9508 3.3932 3.3932 3.4143 3.4143 3.6491 3.6491 3.8202 3.8202 4.1876 4.1876 4.2557 4.2557 6.8837 6.8837 7.0258 7.0258 7.8763 7.8763 8.5905 8.5905 9.1403 9.1403 k = 0.2667-0.1782-0.1226 ( 6008 PWs) bands (ev): -8.4031 -8.4031 -7.3501 -7.3501 -6.9711 -6.9711 -6.9268 -6.9268 -6.7776 -6.7776 -6.6891 -6.6891 -1.4299 -1.4299 -1.1018 -1.1018 -0.6342 -0.6342 0.3755 0.3755 0.6754 0.6754 1.3162 1.3162 1.6796 1.6796 1.9502 1.9502 2.1871 2.1871 2.4519 2.4519 2.8082 2.8082 2.8623 2.8623 3.3734 3.3734 3.3899 3.3899 3.6375 3.6375 3.8090 3.8090 4.1742 4.1742 4.2482 4.2482 6.9667 6.9667 7.0160 7.0160 7.8139 7.8139 8.5428 8.5428 9.1915 9.1915 k = 0.2833-0.1893-0.1303 ( 6006 PWs) bands (ev): -8.3760 -8.3760 -7.3860 -7.3860 -6.9711 -6.9711 -6.9198 -6.9198 -6.7892 -6.7892 -6.6944 -6.6944 -1.4067 -1.4067 -1.0572 -1.0572 -0.6781 -0.6781 0.3649 0.3649 0.7353 0.7353 1.3500 1.3500 1.7071 1.7071 1.9698 1.9698 2.2047 2.2047 2.4485 2.4485 2.7738 2.7738 2.8043 2.8043 3.3327 3.3327 3.3820 3.3820 3.6239 3.6239 3.7977 3.7977 4.1604 4.1604 4.2388 4.2388 7.0013 7.0013 7.0492 7.0492 7.7422 7.7422 8.4959 8.4959 9.2462 9.2466 k = 0.3000-0.2004-0.1380 ( 6017 PWs) bands (ev): -8.3475 -8.3475 -7.4232 -7.4232 -6.9706 -6.9706 -6.9126 -6.9126 -6.8007 -6.8007 -6.7002 -6.7002 -1.3842 -1.3842 -1.0080 -1.0080 -0.7205 -0.7205 0.3532 0.3532 0.7962 0.7962 1.3863 1.3863 1.6896 1.6896 2.0066 2.0066 2.2517 2.2517 2.4195 2.4195 2.6906 2.6906 2.8264 2.8264 3.2884 3.2884 3.3735 3.3735 3.6081 3.6081 3.7859 3.7859 4.1467 4.1467 4.2278 4.2278 6.9901 6.9901 7.1232 7.1232 7.6649 7.6649 8.4488 8.4488 9.2766 9.2766 k = 0.3167-0.2116-0.1456 ( 6021 PWs) bands (ev): -8.3176 -8.3176 -7.4615 -7.4615 -6.9697 -6.9697 -6.9052 -6.9052 -6.8120 -6.8120 -6.7064 -6.7064 -1.3624 -1.3624 -0.9546 -0.9546 -0.7615 -0.7615 0.3393 0.3393 0.8579 0.8579 1.4242 1.4242 1.6424 1.6424 2.0613 2.0613 2.3100 2.3100 2.3753 2.3753 2.6125 2.6125 2.8677 2.8677 3.2416 3.2416 3.3633 3.3633 3.5897 3.5897 3.7735 3.7735 4.1334 4.1334 4.2155 4.2155 6.9777 6.9777 7.1939 7.1939 7.5848 7.5848 8.4007 8.4007 9.3068 9.3068 k = 0.3333-0.2227-0.1533 ( 6025 PWs) bands (ev): -8.2864 -8.2864 -7.5009 -7.5009 -6.9684 -6.9684 -6.8977 -6.8977 -6.8228 -6.8228 -6.7130 -6.7130 -1.3412 -1.3412 -0.8970 -0.8970 -0.8009 -0.8009 0.3221 0.3221 0.9204 0.9204 1.4621 1.4621 1.5858 1.5858 2.1172 2.1172 2.3262 2.3262 2.3703 2.3703 2.5464 2.5464 2.9185 2.9185 3.1933 3.1933 3.3512 3.3512 3.5686 3.5686 3.7600 3.7600 4.1207 4.1207 4.2021 4.2021 6.9652 6.9652 7.2609 7.2609 7.5045 7.5045 8.3515 8.3515 9.3364 9.3364 k = 0.3500-0.2338-0.1609 ( 6019 PWs) bands (ev): -8.2539 -8.2539 -7.5410 -7.5410 -6.9666 -6.9666 -6.8906 -6.8906 -6.8327 -6.8327 -6.7201 -6.7201 -1.3203 -1.3203 -0.8393 -0.8393 -0.8354 -0.8354 0.3003 0.3003 0.9836 0.9836 1.4976 1.4976 1.5307 1.5307 2.1567 2.1567 2.2794 2.2794 2.4218 2.4218 2.5102 2.5102 2.9732 2.9732 3.1446 3.1446 3.3368 3.3368 3.5446 3.5446 3.7452 3.7452 4.1091 4.1091 4.1880 4.1880 6.9531 6.9531 7.3247 7.3247 7.4259 7.4259 8.3013 8.3013 9.3649 9.3649 k = 0.3667-0.2450-0.1686 ( 6019 PWs) bands (ev): -8.2202 -8.2202 -7.5819 -7.5819 -6.9643 -6.9643 -6.8845 -6.8845 -6.8410 -6.8410 -6.7275 -6.7275 -1.2996 -1.2996 -0.8755 -0.8755 -0.7711 -0.7711 0.2727 0.2727 1.0474 1.0474 1.4796 1.4796 1.5306 1.5306 2.1591 2.1591 2.2400 2.2400 2.4514 2.4514 2.5317 2.5317 3.0281 3.0281 3.0975 3.0975 3.3200 3.3200 3.5179 3.5179 3.7288 3.7288 4.0988 4.0988 4.1734 4.1734 6.9418 6.9418 7.3497 7.3497 7.3867 7.3867 8.2501 8.2501 9.3920 9.3920 k = 0.3833-0.2561-0.1763 ( 6013 PWs) bands (ev): -8.1854 -8.1854 -7.6232 -7.6232 -6.9615 -6.9615 -6.8812 -6.8812 -6.8460 -6.8460 -6.7353 -6.7353 -1.2788 -1.2788 -0.9106 -0.9106 -0.7034 -0.7034 0.2383 0.2383 1.1121 1.1121 1.4396 1.4396 1.5539 1.5539 2.1209 2.1209 2.2125 2.2125 2.4853 2.4853 2.5831 2.5831 3.0522 3.0522 3.0831 3.0831 3.3010 3.3010 3.4893 3.4893 3.7106 3.7106 4.0900 4.0900 4.1587 4.1587 6.9320 6.9320 7.2790 7.2790 7.4452 7.4452 8.1982 8.1982 9.4178 9.4178 k = 0.4000-0.2673-0.1839 ( 6014 PWs) bands (ev): -8.1495 -8.1495 -7.6649 -7.6649 -6.9581 -6.9581 -6.8828 -6.8828 -6.8455 -6.8455 -6.7434 -6.7434 -1.2578 -1.2578 -0.9443 -0.9443 -0.6330 -0.6330 0.1966 0.1966 1.1774 1.1774 1.4098 1.4098 1.5667 1.5667 2.0596 2.0596 2.2002 2.2002 2.5268 2.5268 2.6382 2.6382 3.0192 3.0192 3.1279 3.1279 3.2815 3.2815 3.4599 3.4599 3.6901 3.6901 4.0828 4.0828 4.1442 4.1442 6.9243 6.9243 7.2133 7.2133 7.5023 7.5023 8.1457 8.1457 9.4425 9.4425 k = 0.4167-0.2784-0.1916 ( 6013 PWs) bands (ev): -8.1126 -8.1126 -7.7069 -7.7069 -6.9542 -6.9542 -6.8885 -6.8885 -6.8403 -6.8403 -6.7518 -6.7518 -1.2364 -1.2364 -0.9767 -0.9767 -0.5605 -0.5605 0.1475 0.1475 1.2433 1.2433 1.3911 1.3911 1.5674 1.5674 1.9886 1.9886 2.2051 2.2051 2.5582 2.5582 2.6940 2.6940 3.0007 3.0007 3.1578 3.1578 3.2665 3.2665 3.4330 3.4330 3.6672 3.6672 4.0774 4.0774 4.1303 4.1303 6.9192 6.9192 7.1536 7.1536 7.5580 7.5580 8.0929 8.0929 9.4663 9.4663 k = 0.4333-0.2895-0.1993 ( 6010 PWs) bands (ev): -8.0748 -8.0748 -7.7490 -7.7490 -6.9497 -6.9497 -6.8959 -6.8959 -6.8329 -6.8329 -6.7605 -6.7605 -1.2145 -1.2145 -1.0077 -1.0077 -0.4862 -0.4862 0.0914 0.0914 1.3094 1.3094 1.3832 1.3832 1.5574 1.5574 1.9138 1.9138 2.2264 2.2264 2.5658 2.5658 2.7526 2.7526 3.0029 3.0029 3.1582 3.1582 3.2616 3.2616 3.4158 3.4158 3.6416 3.6416 4.0740 4.0740 4.1174 4.1174 6.9175 6.9175 7.1006 7.1006 7.6128 7.6128 8.0398 8.0398 9.4895 9.4895 k = 0.4500-0.3007-0.2069 ( 6012 PWs) bands (ev): -8.0361 -8.0361 -7.7910 -7.7910 -6.9447 -6.9447 -6.9038 -6.9038 -6.8244 -6.8244 -6.7694 -6.7694 -1.1920 -1.1920 -1.0374 -1.0374 -0.4106 -0.4106 0.0292 0.0292 1.3736 1.3736 1.3853 1.3853 1.5413 1.5413 1.8381 1.8381 2.2612 2.2612 2.5475 2.5475 2.8139 2.8139 3.0249 3.0249 3.1326 3.1326 3.2525 3.2525 3.4191 3.4191 3.6133 3.6133 4.0725 4.0725 4.1056 4.1056 6.9199 6.9199 7.0545 7.0545 7.6669 7.6669 7.9866 7.9866 9.5123 9.5123 k = 0.4667-0.3118-0.2146 ( 6006 PWs) bands (ev): -7.9966 -7.9966 -7.8329 -7.8329 -6.9391 -6.9391 -6.9116 -6.9116 -6.8155 -6.8155 -6.7785 -6.7785 -1.1687 -1.1687 -1.0659 -1.0659 -0.3344 -0.3344 -0.0380 -0.0380 1.3952 1.3952 1.4285 1.4285 1.5311 1.5311 1.7627 1.7627 2.3059 2.3059 2.5105 2.5105 2.8758 2.8758 3.0601 3.0601 3.0936 3.0936 3.2267 3.2267 3.4428 3.4428 3.5821 3.5821 4.0730 4.0730 4.0954 4.0954 6.9271 6.9271 7.0155 7.0155 7.7205 7.7205 7.9334 7.9334 9.5350 9.5350 k = 0.4833-0.3229-0.2223 ( 6014 PWs) bands (ev): -7.9565 -7.9565 -7.8745 -7.8745 -6.9330 -6.9330 -6.9192 -6.9192 -6.8063 -6.8063 -6.7877 -6.7877 -1.1445 -1.1445 -1.0932 -1.0932 -0.2582 -0.2582 -0.1090 -0.1090 1.4118 1.4118 1.4458 1.4458 1.5578 1.5578 1.6889 1.6889 2.3567 2.3567 2.4628 2.4628 2.9360 2.9360 3.0459 3.0459 3.1029 3.1029 3.1895 3.1895 3.4764 3.4764 3.5484 3.5484 4.0756 4.0756 4.0869 4.0869 6.9397 6.9397 6.9835 6.9835 7.7738 7.7738 7.8802 7.8802 9.5581 9.5581 k = 0.5000-0.3341-0.2299 ( 6022 PWs) bands (ev): -7.9157 -7.9157 -7.9157 -7.9157 -6.9263 -6.9263 -6.9263 -6.9263 -6.7970 -6.7970 -6.7970 -6.7970 -1.1194 -1.1194 -1.1194 -1.1194 -0.1828 -0.1828 -0.1828 -0.1828 1.4313 1.4313 1.4313 1.4313 1.6184 1.6184 1.6184 1.6184 2.4101 2.4101 2.4101 2.4101 2.9932 2.9932 2.9932 2.9932 3.1469 3.1469 3.1469 3.1469 3.5127 3.5127 3.5127 3.5127 4.0803 4.0803 4.0803 4.0803 6.9584 6.9584 6.9584 6.9584 7.8270 7.8270 7.8270 7.8270 9.5818 9.5818 k = 0.5000-0.3341-0.2299 ( 6022 PWs) bands (ev): -7.9157 -7.9157 -7.9157 -7.9157 -6.9263 -6.9263 -6.9263 -6.9263 -6.7970 -6.7970 -6.7970 -6.7970 -1.1194 -1.1194 -1.1194 -1.1194 -0.1828 -0.1828 -0.1828 -0.1828 1.4313 1.4313 1.4313 1.4313 1.6184 1.6184 1.6184 1.6184 2.4101 2.4101 2.4101 2.4101 2.9932 2.9932 2.9932 2.9932 3.1469 3.1469 3.1469 3.1469 3.5127 3.5127 3.5127 3.5127 4.0803 4.0803 4.0803 4.0803 6.9584 6.9584 6.9584 6.9584 7.8270 7.8270 7.8270 7.8270 9.5818 9.5818 k = 0.5000-0.3222-0.2472 ( 6018 PWs) bands (ev): -7.9152 -7.9152 -7.9152 -7.9152 -6.9275 -6.9275 -6.9275 -6.9275 -6.7967 -6.7967 -6.7966 -6.7966 -1.1173 -1.1173 -1.1173 -1.1173 -0.1836 -0.1836 -0.1830 -0.1830 1.4241 1.4241 1.4295 1.4295 1.6189 1.6189 1.6244 1.6244 2.4075 2.4075 2.4082 2.4082 2.9925 2.9925 2.9931 2.9931 3.1495 3.1495 3.1514 3.1514 3.5134 3.5134 3.5138 3.5138 4.0792 4.0792 4.0796 4.0796 6.9578 6.9578 6.9581 6.9581 7.8245 7.8245 7.8250 7.8250 9.5747 9.5747 k = 0.5000-0.3103-0.2644 ( 6018 PWs) bands (ev): -7.9135 -7.9135 -7.9135 -7.9135 -6.9311 -6.9311 -6.9311 -6.9311 -6.7957 -6.7957 -6.7957 -6.7957 -1.1112 -1.1112 -1.1112 -1.1112 -0.1854 -0.1854 -0.1842 -0.1842 1.4095 1.4095 1.4192 1.4192 1.6252 1.6252 1.6350 1.6350 2.4008 2.4008 2.4021 2.4021 2.9914 2.9914 2.9924 2.9924 3.1586 3.1586 3.1621 3.1621 3.5160 3.5160 3.5169 3.5169 4.0764 4.0764 4.0773 4.0773 6.9565 6.9565 6.9571 6.9571 7.8174 7.8174 7.8184 7.8184 9.5528 9.5528 k = 0.5000-0.2985-0.2817 ( 6018 PWs) bands (ev): -7.9107 -7.9107 -7.9107 -7.9107 -6.9371 -6.9371 -6.9371 -6.9371 -6.7942 -6.7942 -6.7942 -6.7942 -1.1010 -1.1010 -1.1010 -1.1010 -0.1883 -0.1883 -0.1865 -0.1865 1.3900 1.3900 1.4026 1.4026 1.6347 1.6347 1.6474 1.6474 2.3912 2.3912 2.3932 2.3932 2.9901 2.9901 2.9912 2.9912 3.1725 3.1725 3.1775 3.1775 3.5211 3.5211 3.5223 3.5223 4.0719 4.0719 4.0732 4.0732 6.9544 6.9544 6.9553 6.9553 7.8060 7.8060 7.8075 7.8075 9.5161 9.5167 k = 0.5000-0.2866-0.2989 ( 6012 PWs) bands (ev): -7.9068 -7.9068 -7.9068 -7.9068 -6.9453 -6.9453 -6.9452 -6.9452 -6.7922 -6.7922 -6.7922 -6.7922 -1.0870 -1.0870 -1.0870 -1.0870 -0.1921 -0.1921 -0.1898 -0.1898 1.3679 1.3679 1.3823 1.3823 1.6444 1.6444 1.6588 1.6588 2.3805 2.3805 2.3831 2.3831 2.9887 2.9887 2.9898 2.9898 3.1892 3.1892 3.1951 3.1951 3.5294 3.5294 3.5306 3.5306 4.0656 4.0656 4.0675 4.0675 6.9517 6.9517 6.9529 6.9529 7.7906 7.7906 7.7925 7.7925 9.4687 9.4704 k = 0.5000-0.2747-0.3161 ( 6010 PWs) bands (ev): -7.9018 -7.9018 -7.9018 -7.9018 -6.9554 -6.9554 -6.9554 -6.9554 -6.7899 -6.7899 -6.7898 -6.7898 -1.0691 -1.0691 -1.0691 -1.0691 -0.1968 -0.1968 -0.1940 -0.1940 1.3446 1.3446 1.3600 1.3600 1.6521 1.6521 1.6675 1.6675 2.3704 2.3704 2.3736 2.3736 2.9872 2.9872 2.9882 2.9882 3.2063 3.2063 3.2128 3.2128 3.5414 3.5414 3.5426 3.5426 4.0577 4.0577 4.0601 4.0601 6.9485 6.9485 6.9500 6.9500 7.7717 7.7717 7.7738 7.7738 9.4170 9.4172 k = 0.5000-0.2629-0.3334 ( 6016 PWs) bands (ev): -7.8958 -7.8958 -7.8958 -7.8958 -6.9675 -6.9675 -6.9675 -6.9675 -6.7872 -6.7872 -6.7871 -6.7871 -1.0477 -1.0477 -1.0477 -1.0477 -0.2023 -0.2023 -0.1991 -0.1991 1.3210 1.3210 1.3370 1.3370 1.6561 1.6561 1.6718 1.6718 2.3627 2.3627 2.3663 2.3663 2.9857 2.9857 2.9863 2.9863 3.2217 3.2217 3.2285 3.2285 3.5579 3.5579 3.5588 3.5588 4.0480 4.0480 4.0511 4.0511 6.9450 6.9450 6.9468 6.9468 7.7498 7.7498 7.7522 7.7522 9.3646 9.3647 k = 0.5000-0.2510-0.3506 ( 6014 PWs) bands (ev): -7.8888 -7.8888 -7.8888 -7.8888 -6.9813 -6.9813 -6.9813 -6.9813 -6.7842 -6.7842 -6.7842 -6.7842 -1.0230 -1.0230 -1.0229 -1.0229 -0.2086 -0.2086 -0.2050 -0.2050 1.2978 1.2978 1.3140 1.3140 1.6556 1.6556 1.6712 1.6712 2.3586 2.3586 2.3625 2.3625 2.9837 2.9837 2.9840 2.9840 3.2341 3.2341 3.2407 3.2407 3.5790 3.5790 3.5792 3.5792 4.0368 4.0368 4.0407 4.0407 6.9414 6.9414 6.9435 6.9435 7.7256 7.7256 7.7283 7.7283 9.3142 9.3142 k = 0.5000-0.2391-0.3679 ( 6012 PWs) bands (ev): -7.8808 -7.8808 -7.8808 -7.8808 -6.9967 -6.9967 -6.9967 -6.9967 -6.7811 -6.7811 -6.7810 -6.7810 -0.9952 -0.9952 -0.9951 -0.9951 -0.2156 -0.2156 -0.2115 -0.2115 1.2751 1.2751 1.2913 1.2913 1.6504 1.6504 1.6655 1.6655 2.3587 2.3587 2.3629 2.3629 2.9811 2.9811 2.9812 2.9812 3.2429 3.2429 3.2492 3.2492 3.6033 3.6033 3.6040 3.6040 4.0241 4.0241 4.0288 4.0288 6.9380 6.9380 6.9405 6.9405 7.7001 7.7001 7.7028 7.7028 9.2670 9.2670 k = 0.5000-0.2273-0.3851 ( 6022 PWs) bands (ev): -7.8719 -7.8719 -7.8719 -7.8719 -7.0135 -7.0135 -7.0134 -7.0134 -6.7778 -6.7778 -6.7777 -6.7777 -0.9648 -0.9648 -0.9646 -0.9646 -0.2230 -0.2230 -0.2186 -0.2186 1.2532 1.2532 1.2692 1.2692 1.6408 1.6408 1.6551 1.6551 2.3632 2.3632 2.3673 2.3673 2.9771 2.9771 2.9777 2.9777 3.2482 3.2482 3.2540 3.2540 3.6300 3.6300 3.6318 3.6318 4.0102 4.0102 4.0158 4.0158 6.9352 6.9352 6.9379 6.9379 7.6739 7.6739 7.6767 7.6767 9.2235 9.2235 k = 0.5000-0.2154-0.4024 ( 6016 PWs) bands (ev): -7.8621 -7.8621 -7.8621 -7.8621 -7.0314 -7.0314 -7.0314 -7.0314 -6.7743 -6.7743 -6.7742 -6.7742 -0.9320 -0.9320 -0.9318 -0.9318 -0.2306 -0.2306 -0.2261 -0.2261 1.2321 1.2321 1.2477 1.2477 1.6279 1.6279 1.6410 1.6410 2.3714 2.3714 2.3754 2.3754 2.9718 2.9718 2.9730 2.9730 3.2508 3.2508 3.2560 3.2560 3.6577 3.6577 3.6607 3.6607 3.9953 3.9953 4.0021 4.0021 6.9332 6.9332 6.9363 6.9363 7.6480 7.6480 7.6508 7.6508 9.1839 9.1839 k = 0.5000-0.2035-0.4196 ( 6022 PWs) bands (ev): -7.8516 -7.8516 -7.8515 -7.8515 -7.0505 -7.0505 -7.0504 -7.0504 -6.7707 -6.7707 -6.7706 -6.7706 -0.8975 -0.8975 -0.8972 -0.8972 -0.2383 -0.2383 -0.2336 -0.2336 1.2117 1.2117 1.2267 1.2267 1.6128 1.6128 1.6245 1.6245 2.3825 2.3825 2.3862 2.3862 2.9649 2.9649 2.9666 2.9666 3.2514 3.2514 3.2560 3.2560 3.6847 3.6847 3.6889 3.6889 3.9801 3.9801 3.9881 3.9881 6.9326 6.9326 6.9358 6.9358 7.6233 7.6233 7.6261 7.6261 9.1485 9.1485 k = 0.5000-0.1916-0.4369 ( 6014 PWs) bands (ev): -7.8403 -7.8403 -7.8403 -7.8403 -7.0704 -7.0704 -7.0703 -7.0703 -6.7669 -6.7669 -6.7668 -6.7668 -0.8617 -0.8617 -0.8613 -0.8613 -0.2456 -0.2456 -0.2408 -0.2408 1.1919 1.1919 1.2060 1.2060 1.5968 1.5968 1.6070 1.6070 2.3955 2.3955 2.3990 2.3990 2.9560 2.9560 2.9583 2.9583 3.2509 3.2509 3.2551 3.2551 3.7089 3.7089 3.7145 3.7145 3.9654 3.9654 3.9748 3.9748 6.9336 6.9336 6.9371 6.9371 7.6005 7.6005 7.6032 7.6032 9.1172 9.1172 k = 0.5000-0.1798-0.4541 ( 6022 PWs) bands (ev): -7.8285 -7.8285 -7.8285 -7.8285 -7.0909 -7.0909 -7.0909 -7.0909 -6.7631 -6.7631 -6.7630 -6.7630 -0.8255 -0.8255 -0.8249 -0.8249 -0.2521 -0.2521 -0.2473 -0.2473 1.1725 1.1725 1.1855 1.1855 1.5811 1.5811 1.5897 1.5897 2.4094 2.4094 2.4125 2.4125 2.9448 2.9448 2.9477 2.9477 3.2502 3.2502 3.2540 3.2540 3.7283 3.7283 3.7351 3.7351 3.9524 3.9524 3.9633 3.9633 6.9366 6.9366 6.9404 6.9404 7.5804 7.5804 7.5831 7.5831 9.0903 9.0903 k = 0.5000-0.1679-0.4713 ( 6018 PWs) bands (ev): -7.8162 -7.8162 -7.8162 -7.8162 -7.1118 -7.1118 -7.1118 -7.1118 -6.7592 -6.7592 -6.7591 -6.7591 -0.7895 -0.7895 -0.7887 -0.7887 -0.2574 -0.2574 -0.2527 -0.2527 1.1534 1.1534 1.1652 1.1652 1.5670 1.5670 1.5737 1.5737 2.4233 2.4233 2.4260 2.4260 2.9311 2.9311 2.9347 2.9347 3.2497 3.2497 3.2533 3.2533 3.7409 3.7409 3.7485 3.7485 3.9429 3.9429 3.9549 3.9549 6.9421 6.9421 6.9460 6.9460 7.5635 7.5635 7.5662 7.5662 9.0679 9.0679 k = 0.5000-0.1560-0.4886 ( 6002 PWs) bands (ev): -7.8037 -7.8037 -7.8037 -7.8037 -7.1329 -7.1329 -7.1329 -7.1329 -6.7553 -6.7553 -6.7552 -6.7552 -0.7548 -0.7548 -0.7538 -0.7538 -0.2607 -0.2607 -0.2562 -0.2562 1.1345 1.1345 1.1451 1.1451 1.5550 1.5550 1.5599 1.5599 2.4363 2.4363 2.4386 2.4386 2.9149 2.9149 2.9190 2.9190 3.2500 3.2500 3.2536 3.2536 3.7454 3.7454 3.7529 3.7529 3.9382 3.9382 3.9506 3.9506 6.9502 6.9502 6.9543 6.9543 7.5506 7.5506 7.5532 7.5532 9.0501 9.0501 k = 0.5000-0.1442-0.5058 ( 5998 PWs) bands (ev): -7.7910 -7.7910 -7.7910 -7.7910 -7.1539 -7.1539 -7.1538 -7.1538 -6.7513 -6.7513 -6.7512 -6.7512 -0.7225 -0.7225 -0.7211 -0.7211 -0.2613 -0.2613 -0.2572 -0.2572 1.1159 1.1159 1.1252 1.1252 1.5459 1.5459 1.5490 1.5490 2.4477 2.4477 2.4495 2.4495 2.8960 2.8960 2.9007 2.9007 3.2513 3.2513 3.2551 3.2551 3.7417 3.7417 3.7483 3.7483 3.9380 3.9380 3.9501 3.9501 6.9611 6.9611 6.9654 6.9654 7.5419 7.5419 7.5445 7.5445 9.0371 9.0371 k = 0.5000-0.1323-0.5231 ( 6000 PWs) bands (ev): -7.7785 -7.7785 -7.7784 -7.7784 -7.1744 -7.1744 -7.1743 -7.1743 -6.7473 -6.7473 -6.7472 -6.7472 -0.6938 -0.6938 -0.6919 -0.6919 -0.2586 -0.2586 -0.2548 -0.2548 1.0980 1.0980 1.1060 1.1060 1.5399 1.5399 1.5411 1.5411 2.4571 2.4571 2.4583 2.4583 2.8748 2.8748 2.8800 2.8800 3.2535 3.2535 3.2579 3.2579 3.7312 3.7312 3.7363 3.7363 3.9407 3.9407 3.9519 3.9519 6.9751 6.9751 6.9794 6.9794 7.5378 7.5378 7.5404 7.5404 9.0290 9.0290 k = 0.5000-0.1204-0.5403 ( 6000 PWs) bands (ev): -7.7663 -7.7663 -7.7663 -7.7663 -7.1941 -7.1941 -7.1940 -7.1940 -6.7433 -6.7433 -6.7432 -6.7432 -0.6696 -0.6696 -0.6673 -0.6673 -0.2517 -0.2517 -0.2484 -0.2484 1.0810 1.0810 1.0877 1.0877 1.5364 1.5364 1.5368 1.5368 2.4639 2.4639 2.4643 2.4643 2.8515 2.8515 2.8570 2.8570 3.2567 3.2567 3.2619 3.2619 3.7163 3.7163 3.7194 3.7194 3.9438 3.9438 3.9541 3.9541 6.9920 6.9920 6.9964 6.9964 7.5386 7.5386 7.5412 7.5412 9.0259 9.0259 k = 0.5000-0.1086-0.5576 ( 5998 PWs) bands (ev): -7.7548 -7.7548 -7.7548 -7.7548 -7.2126 -7.2126 -7.2125 -7.2125 -6.7394 -6.7394 -6.7392 -6.7392 -0.6509 -0.6509 -0.6481 -0.6481 -0.2402 -0.2402 -0.2376 -0.2376 1.0655 1.0655 1.0711 1.0711 1.5346 1.5346 1.5366 1.5366 2.4673 2.4673 2.4677 2.4677 2.8265 2.8265 2.8324 2.8324 3.2604 3.2604 3.2669 3.2669 3.6990 3.6990 3.7002 3.7002 3.9454 3.9454 3.9549 3.9549 7.0117 7.0117 7.0161 7.0161 7.5444 7.5444 7.5470 7.5470 9.0278 9.0278 k = 0.5000-0.0967-0.5748 ( 5998 PWs) bands (ev): -7.7444 -7.7444 -7.7444 -7.7444 -7.2294 -7.2294 -7.2294 -7.2294 -6.7355 -6.7355 -6.7353 -6.7353 -0.6380 -0.6380 -0.6347 -0.6347 -0.2244 -0.2244 -0.2223 -0.2223 1.0520 1.0520 1.0566 1.0566 1.5355 1.5355 1.5389 1.5389 2.4668 2.4668 2.4682 2.4682 2.8005 2.8005 2.8068 2.8068 3.2644 3.2644 3.2723 3.2723 3.6802 3.6802 3.6811 3.6811 3.9443 3.9443 3.9531 3.9531 7.0338 7.0338 7.0383 7.0383 7.5551 7.5551 7.5577 7.5577 9.0348 9.0348 k = 0.5000-0.0848-0.5921 ( 6006 PWs) bands (ev): -7.7355 -7.7355 -7.7355 -7.7355 -7.2442 -7.2442 -7.2441 -7.2441 -6.7317 -6.7317 -6.7315 -6.7315 -0.6307 -0.6307 -0.6270 -0.6270 -0.2049 -0.2049 -0.2033 -0.2033 1.0410 1.0410 1.0447 1.0447 1.5385 1.5385 1.5432 1.5432 2.4623 2.4623 2.4649 2.4649 2.7743 2.7743 2.7810 2.7810 3.2680 3.2680 3.2778 3.2778 3.6612 3.6612 3.6643 3.6643 3.9397 3.9397 3.9480 3.9480 7.0581 7.0581 7.0625 7.0625 7.5707 7.5707 7.5734 7.5734 9.0467 9.0467 k = 0.5000-0.0730-0.6093 ( 6012 PWs) bands (ev): -7.7284 -7.7284 -7.7284 -7.7284 -7.2564 -7.2564 -7.2563 -7.2563 -6.7280 -6.7280 -6.7279 -6.7279 -0.6285 -0.6285 -0.6244 -0.6244 -0.1826 -0.1826 -0.1813 -0.1813 1.0330 1.0330 1.0360 1.0360 1.5431 1.5431 1.5491 1.5491 2.4533 2.4533 2.4573 2.4573 2.7489 2.7489 2.7562 2.7562 3.2708 3.2708 3.2827 3.2827 3.6443 3.6443 3.6496 3.6496 3.9314 3.9314 3.9393 3.9393 7.0837 7.0837 7.0882 7.0882 7.5911 7.5911 7.5938 7.5938 9.0636 9.0636 k = 0.5000-0.0611-0.6265 ( 6016 PWs) bands (ev): -7.7237 -7.7237 -7.7237 -7.7237 -7.2655 -7.2655 -7.2654 -7.2654 -6.7245 -6.7245 -6.7244 -6.7244 -0.6305 -0.6305 -0.6262 -0.6262 -0.1587 -0.1587 -0.1577 -0.1577 1.0284 1.0284 1.0308 1.0308 1.5488 1.5488 1.5560 1.5560 2.4393 2.4393 2.4448 2.4448 2.7257 2.7257 2.7336 2.7336 3.2723 3.2723 3.2863 3.2863 3.6306 3.6306 3.6383 3.6383 3.9193 3.9193 3.9267 3.9267 7.1099 7.1099 7.1145 7.1145 7.6162 7.6162 7.6189 7.6189 9.0851 9.0851 k = 0.5000-0.0492-0.6438 ( 6018 PWs) bands (ev): -7.7216 -7.7216 -7.7216 -7.7216 -7.2712 -7.2712 -7.2711 -7.2711 -6.7212 -6.7212 -6.7210 -6.7210 -0.6359 -0.6359 -0.6315 -0.6315 -0.1343 -0.1343 -0.1335 -0.1335 1.0274 1.0274 1.0292 1.0292 1.5551 1.5551 1.5635 1.5635 2.4196 2.4196 2.4267 2.4267 2.7059 2.7059 2.7144 2.7144 3.2723 3.2723 3.2883 3.2883 3.6209 3.6209 3.6309 3.6309 3.9035 3.9035 3.9104 3.9104 7.1358 7.1358 7.1405 7.1405 7.6458 7.6458 7.6484 7.6484 9.1111 9.1111 k = 0.7632 0.0914-0.2759 ( 6018 PWs) bands (ev): -7.7216 -7.7216 -7.7215 -7.7215 -7.2712 -7.2712 -7.2711 -7.2711 -6.7212 -6.7212 -6.7210 -6.7210 -0.6359 -0.6359 -0.6315 -0.6315 -0.1343 -0.1343 -0.1335 -0.1335 1.0274 1.0274 1.0292 1.0292 1.5551 1.5551 1.5635 1.5635 2.4196 2.4196 2.4267 2.4267 2.7059 2.7059 2.7144 2.7144 3.2723 3.2723 3.2883 3.2883 3.6209 3.6209 3.6308 3.6308 3.9035 3.9035 3.9104 3.9104 7.1358 7.1358 7.1405 7.1405 7.6458 7.6458 7.6484 7.6484 9.1111 9.1111 k = 0.7530 0.0982-0.2582 ( 6012 PWs) bands (ev): -7.7224 -7.7224 -7.7223 -7.7223 -7.2732 -7.2732 -7.2731 -7.2731 -6.7180 -6.7180 -6.7178 -6.7178 -0.6443 -0.6443 -0.6398 -0.6398 -0.1097 -0.1097 -0.1090 -0.1090 1.0299 1.0299 1.0313 1.0313 1.5619 1.5619 1.5713 1.5713 2.3935 2.3935 2.4022 2.4022 2.6900 2.6900 2.6991 2.6991 3.2707 3.2707 3.2885 3.2885 3.6155 3.6155 3.6277 3.6277 3.8838 3.8838 3.8903 3.8903 7.1608 7.1608 7.1656 7.1656 7.6807 7.6807 7.6833 7.6833 9.1421 9.1421 k = 0.7429 0.1050-0.2405 ( 6010 PWs) bands (ev): -7.7263 -7.7263 -7.7262 -7.7262 -7.2713 -7.2713 -7.2711 -7.2711 -6.7151 -6.7151 -6.7149 -6.7149 -0.6549 -0.6549 -0.6505 -0.6505 -0.0861 -0.0861 -0.0855 -0.0855 1.0359 1.0359 1.0369 1.0369 1.5685 1.5685 1.5791 1.5791 2.3616 2.3616 2.3718 2.3718 2.6788 2.6788 2.6885 2.6885 3.2682 3.2682 3.2872 3.2872 3.6146 3.6146 3.6287 3.6287 3.8613 3.8613 3.8670 3.8670 7.1828 7.1828 7.1878 7.1878 7.7203 7.7203 7.7228 7.7228 9.1771 9.1771 k = 0.7328 0.1117-0.2228 ( 6008 PWs) bands (ev): -7.7330 -7.7330 -7.7330 -7.7330 -7.2655 -7.2655 -7.2653 -7.2653 -6.7125 -6.7125 -6.7123 -6.7123 -0.6673 -0.6673 -0.6630 -0.6630 -0.0638 -0.0638 -0.0632 -0.0632 1.0446 1.0446 1.0452 1.0452 1.5749 1.5749 1.5867 1.5867 2.3248 2.3248 2.3363 2.3363 2.6722 2.6722 2.6823 2.6823 3.2656 3.2656 3.2853 3.2853 3.6175 3.6175 3.6333 3.6333 3.8366 3.8366 3.8414 3.8414 7.2005 7.2005 7.2058 7.2058 7.7645 7.7645 7.7668 7.7668 9.2156 9.2156 k = 0.7227 0.1185-0.2052 ( 6000 PWs) bands (ev): -7.7424 -7.7424 -7.7423 -7.7423 -7.2561 -7.2561 -7.2560 -7.2560 -6.7102 -6.7102 -6.7100 -6.7100 -0.6811 -0.6811 -0.6769 -0.6769 -0.0429 -0.0429 -0.0423 -0.0423 1.0552 1.0552 1.0555 1.0555 1.5811 1.5811 1.5942 1.5942 2.2841 2.2841 2.2968 2.2968 2.6692 2.6692 2.6798 2.6798 3.2644 3.2644 3.2839 3.2839 3.6225 3.6225 3.6399 3.6399 3.8112 3.8112 3.8148 3.8148 7.2129 7.2129 7.2183 7.2183 7.8131 7.8131 7.8152 7.8152 9.2568 9.2569 k = 0.7125 0.1253-0.1875 ( 6010 PWs) bands (ev): -7.7539 -7.7539 -7.7539 -7.7539 -7.2436 -7.2436 -7.2435 -7.2435 -6.7083 -6.7083 -6.7081 -6.7081 -0.6961 -0.6961 -0.6920 -0.6920 -0.0232 -0.0232 -0.0226 -0.0226 1.0665 1.0665 1.0665 1.0665 1.5873 1.5873 1.6016 1.6016 2.2408 2.2408 2.2545 2.2545 2.6687 2.6687 2.6797 2.6797 3.2658 3.2658 3.2848 3.2848 3.6269 3.6269 3.6459 3.6459 3.7873 3.7873 3.7893 3.7893 7.2189 7.2189 7.2246 7.2246 7.8659 7.8659 7.8678 7.8678 9.2996 9.2997 k = 0.7024 0.1320-0.1698 ( 6010 PWs) bands (ev): -7.7672 -7.7672 -7.7671 -7.7671 -7.2285 -7.2285 -7.2284 -7.2284 -6.7068 -6.7068 -6.7066 -6.7066 -0.7120 -0.7120 -0.7081 -0.7081 -0.0044 -0.0044 -0.0037 -0.0037 1.0770 1.0770 1.0773 1.0773 1.5937 1.5937 1.6092 1.6092 2.1962 2.1962 2.2108 2.2108 2.6695 2.6695 2.6809 2.6809 3.2712 3.2712 3.2893 3.2893 3.6265 3.6265 3.6466 3.6466 3.7689 3.7689 3.7695 3.7695 7.2183 7.2183 7.2240 7.2240 7.9221 7.9221 7.9237 7.9237 9.3420 9.3428 k = 0.6923 0.1388-0.1521 ( 6014 PWs) bands (ev): -7.7817 -7.7817 -7.7817 -7.7817 -7.2112 -7.2112 -7.2111 -7.2111 -6.7058 -6.7058 -6.7056 -6.7056 -0.7287 -0.7287 -0.7249 -0.7249 0.0139 0.0139 0.0147 0.0147 1.0857 1.0857 1.0862 1.0862 1.6005 1.6005 1.6171 1.6171 2.1518 2.1518 2.1671 2.1671 2.6703 2.6703 2.6821 2.6821 3.2819 3.2819 3.2987 3.2987 3.6164 3.6164 3.6361 3.6361 3.7605 3.7605 3.7611 3.7611 7.2107 7.2107 7.2166 7.2166 7.9808 7.9808 7.9823 7.9823 9.3830 9.3832 k = 0.6822 0.1455-0.1344 ( 6028 PWs) bands (ev): -7.7971 -7.7971 -7.7970 -7.7970 -7.1921 -7.1921 -7.1920 -7.1920 -6.7052 -6.7052 -6.7051 -6.7051 -0.7459 -0.7459 -0.7423 -0.7423 0.0322 0.0322 0.0330 0.0330 1.0916 1.0916 1.0922 1.0922 1.6072 1.6072 1.6247 1.6247 2.1092 2.1092 2.1250 2.1250 2.6702 2.6702 2.6824 2.6824 3.2986 3.2986 3.3140 3.3140 3.5950 3.5950 3.6130 3.6130 3.7636 3.7636 3.7654 3.7654 7.1967 7.1967 7.2026 7.2026 8.0409 8.0409 8.0423 8.0423 9.4206 9.4206 k = 0.6721 0.1523-0.1167 ( 6028 PWs) bands (ev): -7.8129 -7.8129 -7.8128 -7.8128 -7.1716 -7.1716 -7.1715 -7.1715 -6.7052 -6.7052 -6.7051 -6.7051 -0.7635 -0.7635 -0.7601 -0.7601 0.0508 0.0508 0.0517 0.0517 1.0938 1.0938 1.0944 1.0944 1.6128 1.6128 1.6308 1.6308 2.0708 2.0708 2.0868 2.0868 2.6686 2.6686 2.6809 2.6809 3.3212 3.3212 3.3354 3.3354 3.5655 3.5655 3.5817 3.5817 3.7751 3.7751 3.7782 3.7782 7.1767 7.1767 7.1826 7.1826 8.1009 8.1009 8.1021 8.1021 9.4529 9.4529 k = 0.6619 0.1591-0.0990 ( 6022 PWs) bands (ev): -7.8289 -7.8289 -7.8288 -7.8288 -7.1501 -7.1501 -7.1500 -7.1500 -6.7058 -6.7058 -6.7056 -6.7056 -0.7814 -0.7814 -0.7781 -0.7781 0.0701 0.0701 0.0710 0.0710 1.0921 1.0921 1.0926 1.0926 1.6151 1.6151 1.6329 1.6329 2.0397 2.0397 2.0552 2.0552 2.6650 2.6650 2.6774 2.6774 3.3487 3.3487 3.3618 3.3618 3.5324 3.5324 3.5474 3.5474 3.7914 3.7914 3.7954 3.7954 7.1514 7.1514 7.1572 7.1572 8.1590 8.1590 8.1601 8.1601 9.4785 9.4785 k = 0.6518 0.1658-0.0814 ( 6018 PWs) bands (ev): -7.8448 -7.8448 -7.8447 -7.8447 -7.1279 -7.1279 -7.1277 -7.1277 -6.7069 -6.7069 -6.7068 -6.7068 -0.7993 -0.7993 -0.7963 -0.7963 0.0904 0.0904 0.0913 0.0913 1.0865 1.0865 1.0868 1.0868 1.6111 1.6111 1.6277 1.6277 2.0194 2.0194 2.0334 2.0334 2.6597 2.6597 2.6718 2.6718 3.3771 3.3771 3.3890 3.3890 3.5017 3.5017 3.5156 3.5156 3.8103 3.8103 3.8146 3.8146 7.1219 7.1219 7.1274 7.1274 8.2132 8.2132 8.2142 8.2142 9.4975 9.4975 k = 0.6417 0.1726-0.0637 ( 6030 PWs) bands (ev): -7.8603 -7.8603 -7.8603 -7.8603 -7.1051 -7.1051 -7.1050 -7.1050 -6.7088 -6.7088 -6.7086 -6.7086 -0.8172 -0.8172 -0.8144 -0.8144 0.1119 0.1119 0.1129 0.1129 1.0775 1.0775 1.0776 1.0776 1.5978 1.5978 1.6122 1.6122 2.0126 2.0126 2.0242 2.0242 2.6530 2.6530 2.6645 2.6645 3.3928 3.3928 3.3998 3.3998 3.4908 3.4908 3.5000 3.5000 3.8304 3.8304 3.8349 3.8349 7.0888 7.0888 7.0942 7.0942 8.2612 8.2612 8.2622 8.2622 9.5120 9.5120 k = 0.6316 0.1794-0.0460 ( 6032 PWs) bands (ev): -7.8754 -7.8754 -7.8753 -7.8753 -7.0821 -7.0821 -7.0820 -7.0820 -6.7113 -6.7113 -6.7111 -6.7111 -0.8348 -0.8348 -0.8322 -0.8322 0.1348 0.1348 0.1358 0.1358 1.0657 1.0657 1.0657 1.0657 1.5740 1.5740 1.5855 1.5855 2.0199 2.0199 2.0284 2.0284 2.6452 2.6452 2.6560 2.6560 3.3769 3.3769 3.3771 3.3771 3.5168 3.5168 3.5189 3.5189 3.8509 3.8509 3.8554 3.8554 7.0533 7.0533 7.0584 7.0584 8.3009 8.3009 8.3019 8.3019 9.5255 9.5256 k = 0.6215 0.1861-0.0283 ( 6038 PWs) bands (ev): -7.8898 -7.8898 -7.8898 -7.8898 -7.0590 -7.0590 -7.0589 -7.0589 -6.7145 -6.7145 -6.7143 -6.7143 -0.8520 -0.8520 -0.8496 -0.8496 0.1591 0.1591 0.1601 0.1601 1.0518 1.0518 1.0520 1.0520 1.5404 1.5404 1.5492 1.5492 2.0393 2.0393 2.0448 2.0448 2.6371 2.6371 2.6470 2.6470 3.3384 3.3384 3.3414 3.3414 3.5601 3.5601 3.5606 3.5606 3.8714 3.8714 3.8757 3.8757 7.0162 7.0162 7.0209 7.0209 8.3304 8.3304 8.3315 8.3315 9.5420 9.5420 k = 0.6113 0.1929-0.0106 ( 6038 PWs) bands (ev): -7.9034 -7.9034 -7.9034 -7.9034 -7.0360 -7.0360 -7.0359 -7.0359 -6.7185 -6.7185 -6.7183 -6.7183 -0.8686 -0.8686 -0.8664 -0.8664 0.1848 0.1848 0.1857 0.1857 1.0369 1.0369 1.0372 1.0372 1.4994 1.4994 1.5059 1.5059 2.0679 2.0679 2.0708 2.0708 2.6292 2.6292 2.6380 2.6380 3.2951 3.2951 3.2989 3.2989 3.6093 3.6093 3.6105 3.6105 3.8914 3.8914 3.8956 3.8956 6.9784 6.9784 6.9827 6.9827 8.3486 8.3486 8.3497 8.3497 9.5646 9.5646 k = 0.6012 0.1996 0.0071 ( 6038 PWs) bands (ev): -7.9161 -7.9161 -7.9161 -7.9161 -7.0133 -7.0133 -7.0132 -7.0132 -6.7232 -6.7232 -6.7231 -6.7231 -0.8844 -0.8844 -0.8824 -0.8824 0.2117 0.2117 0.2126 0.2126 1.0216 1.0216 1.0221 1.0221 1.4532 1.4532 1.4579 1.4579 2.1026 2.1026 2.1034 2.1034 2.6222 2.6222 2.6298 2.6298 3.2496 3.2496 3.2535 3.2535 3.6614 3.6614 3.6628 3.6628 3.9107 3.9107 3.9146 3.9146 6.9406 6.9406 6.9446 6.9446 8.3552 8.3552 8.3563 8.3563 9.5958 9.5958 k = 0.5911 0.2064 0.0248 ( 6032 PWs) bands (ev): -7.9279 -7.9279 -7.9278 -7.9278 -6.9909 -6.9909 -6.9908 -6.9908 -6.7288 -6.7288 -6.7287 -6.7287 -0.8993 -0.8993 -0.8975 -0.8975 0.2397 0.2397 0.2406 0.2406 1.0069 1.0069 1.0075 1.0075 1.4038 1.4038 1.4072 1.4072 2.1401 2.1401 2.1409 2.1409 2.6168 2.6168 2.6231 2.6231 3.2029 3.2029 3.2066 3.2066 3.7141 3.7141 3.7153 3.7153 3.9291 3.9291 3.9326 3.9326 6.9037 6.9037 6.9072 6.9072 8.3513 8.3513 8.3524 8.3524 9.6362 9.6363 k = 0.5810 0.2132 0.0425 ( 6030 PWs) bands (ev): -7.9385 -7.9385 -7.9385 -7.9385 -6.9690 -6.9690 -6.9689 -6.9689 -6.7353 -6.7353 -6.7352 -6.7352 -0.9131 -0.9131 -0.9115 -0.9115 0.2683 0.2683 0.2691 0.2691 0.9934 0.9934 0.9940 0.9940 1.3528 1.3528 1.3553 1.3553 2.1788 2.1788 2.1810 2.1810 2.6137 2.6137 2.6186 2.6186 3.1553 3.1553 3.1587 3.1587 3.7656 3.7656 3.7666 3.7666 3.9464 3.9464 3.9494 3.9494 6.8683 6.8683 6.8715 6.8715 8.3388 8.3388 8.3399 8.3399 9.6854 9.6854 k = 0.5708 0.2199 0.0601 ( 6040 PWs) bands (ev): -7.9481 -7.9481 -7.9481 -7.9481 -6.9477 -6.9477 -6.9476 -6.9476 -6.7427 -6.7427 -6.7426 -6.7426 -0.9257 -0.9257 -0.9242 -0.9242 0.2972 0.2972 0.2979 0.2979 0.9818 0.9818 0.9824 0.9824 1.3015 1.3015 1.3033 1.3033 2.2177 2.2177 2.2208 2.2208 2.6138 2.6138 2.6174 2.6174 3.1071 3.1071 3.1101 3.1101 3.8145 3.8145 3.8152 3.8152 3.9625 3.9625 3.9651 3.9651 6.8352 6.8352 6.8380 6.8380 8.3203 8.3203 8.3213 8.3213 9.7420 9.7420 k = 0.5607 0.2267 0.0778 ( 6044 PWs) bands (ev): -7.9565 -7.9565 -7.9564 -7.9564 -6.9271 -6.9271 -6.9270 -6.9270 -6.7510 -6.7510 -6.7509 -6.7509 -0.9368 -0.9368 -0.9356 -0.9356 0.3255 0.3255 0.3262 0.3262 0.9727 0.9727 0.9733 0.9733 1.2509 1.2509 1.2522 1.2522 2.2548 2.2548 2.2586 2.2586 2.6183 2.6183 2.6205 2.6205 3.0585 3.0585 3.0611 3.0611 3.8593 3.8593 3.8596 3.8596 3.9774 3.9774 3.9794 3.9794 6.8050 6.8050 6.8073 6.8073 8.2983 8.2983 8.2992 8.2992 9.8041 9.8041 k = 0.5506 0.2335 0.0955 ( 6050 PWs) bands (ev): -7.9636 -7.9636 -7.9636 -7.9636 -6.9073 -6.9073 -6.9072 -6.9072 -6.7602 -6.7602 -6.7602 -6.7602 -0.9464 -0.9464 -0.9454 -0.9454 0.3527 0.3527 0.3533 0.3533 0.9670 0.9670 0.9675 0.9675 1.2020 1.2020 1.2030 1.2030 2.2884 2.2884 2.2926 2.2926 2.6282 2.6282 2.6292 2.6292 3.0097 3.0097 3.0118 3.0118 3.8986 3.8986 3.8986 3.8986 3.9911 3.9911 3.9927 3.9927 6.7783 6.7783 6.7802 6.7802 8.2754 8.2754 8.2762 8.2762 9.8699 9.8700 k = 0.5405 0.2402 0.1132 ( 6050 PWs) bands (ev): -7.9695 -7.9695 -7.9695 -7.9695 -6.8882 -6.8882 -6.8882 -6.8882 -6.7705 -6.7705 -6.7704 -6.7704 -0.9544 -0.9544 -0.9536 -0.9536 0.3775 0.3775 0.3780 0.3780 0.9652 0.9652 0.9656 0.9656 1.1557 1.1557 1.1564 1.1564 2.3169 2.3169 2.3211 2.3211 2.6445 2.6445 2.6447 2.6447 2.9609 2.9609 2.9627 2.9627 3.9308 3.9308 3.9310 3.9310 4.0040 4.0040 4.0050 4.0050 6.7556 6.7556 6.7571 6.7571 8.2537 8.2537 8.2544 8.2544 9.9372 9.9451 k = 0.5304 0.2470 0.1309 ( 6070 PWs) bands (ev): -7.9741 -7.9741 -7.9741 -7.9741 -6.8701 -6.8701 -6.8701 -6.8701 -6.7817 -6.7817 -6.7816 -6.7816 -0.9608 -0.9608 -0.9601 -0.9601 0.3988 0.3988 0.3992 0.3992 0.9681 0.9681 0.9685 0.9685 1.1130 1.1130 1.1135 1.1135 2.3393 2.3393 2.3429 2.3429 2.6676 2.6676 2.6679 2.6679 2.9126 2.9126 2.9139 2.9139 3.9550 3.9550 3.9555 3.9555 4.0160 4.0160 4.0165 4.0165 6.7375 6.7375 6.7386 6.7386 8.2350 8.2350 8.2356 8.2356 10.0040 10.0044 k = 0.5202 0.2537 0.1486 ( 6074 PWs) bands (ev): -7.9775 -7.9775 -7.9775 -7.9775 -6.8529 -6.8529 -6.8529 -6.8529 -6.7939 -6.7939 -6.7939 -6.7939 -0.9653 -0.9653 -0.9649 -0.9649 0.4154 0.4154 0.4156 0.4156 0.9764 0.9764 0.9766 0.9766 1.0748 1.0748 1.0751 1.0751 2.3551 2.3551 2.3578 2.3578 2.6976 2.6976 2.6981 2.6981 2.8650 2.8650 2.8659 2.8659 3.9712 3.9712 3.9717 3.9717 4.0265 4.0265 4.0266 4.0266 6.7242 6.7242 6.7250 6.7250 8.2208 8.2208 8.2211 8.2211 10.0674 10.0675 k = 0.5101 0.2605 0.1663 ( 6090 PWs) bands (ev): -7.9795 -7.9795 -7.9795 -7.9795 -6.8367 -6.8367 -6.8366 -6.8366 -6.8072 -6.8072 -6.8071 -6.8071 -0.9680 -0.9680 -0.9678 -0.9678 0.4259 0.4259 0.4261 0.4261 0.9901 0.9901 0.9902 0.9902 1.0425 1.0425 1.0427 1.0427 2.3646 2.3646 2.3660 2.3660 2.7337 2.7337 2.7340 2.7340 2.8190 2.8190 2.8195 2.8195 3.9802 3.9802 3.9805 3.9805 4.0338 4.0338 4.0338 4.0338 6.7162 6.7162 6.7166 6.7166 8.2119 8.2119 8.2120 8.2120 10.1209 10.1210 k = 0.5000 0.2673 0.1839 ( 6100 PWs) bands (ev): -7.9801 -7.9801 -7.9801 -7.9801 -6.8217 -6.8217 -6.8217 -6.8217 -6.8211 -6.8211 -6.8211 -6.8211 -0.9688 -0.9688 -0.9688 -0.9688 0.4296 0.4296 0.4296 0.4296 1.0031 1.0031 1.0031 1.0031 1.0233 1.0233 1.0233 1.0233 2.3682 2.3682 2.3682 2.3682 2.7705 2.7705 2.7706 2.7706 2.7792 2.7792 2.7793 2.7793 3.9831 3.9831 3.9831 3.9831 4.0364 4.0364 4.0364 4.0364 6.7136 6.7136 6.7137 6.7137 8.2089 8.2089 8.2089 8.2089 10.1480 10.1480 k = 0.5000 0.2673 0.1839 ( 6100 PWs) bands (ev): -7.9801 -7.9801 -7.9801 -7.9801 -6.8217 -6.8217 -6.8217 -6.8217 -6.8211 -6.8211 -6.8211 -6.8211 -0.9688 -0.9688 -0.9688 -0.9688 0.4296 0.4296 0.4296 0.4296 1.0031 1.0031 1.0031 1.0031 1.0233 1.0233 1.0233 1.0233 2.3682 2.3682 2.3682 2.3682 2.7705 2.7705 2.7706 2.7706 2.7792 2.7792 2.7793 2.7793 3.9831 3.9831 3.9831 3.9831 4.0364 4.0364 4.0364 4.0364 6.7136 6.7136 6.7137 6.7137 8.2089 8.2089 8.2089 8.2089 10.1480 10.1480 k = 0.4821 0.2577 0.1774 ( 6097 PWs) bands (ev): -8.0211 -8.0211 -7.9384 -7.9384 -6.8300 -6.8300 -6.8295 -6.8295 -6.8132 -6.8132 -6.8127 -6.8127 -1.0030 -1.0030 -0.9331 -0.9331 0.3111 0.3111 0.5485 0.5485 0.9418 0.9418 0.9611 0.9611 1.0654 1.0654 1.0865 1.0865 2.3590 2.3590 2.3745 2.3745 2.6990 2.6990 2.7071 2.7071 2.8432 2.8432 2.8523 2.8523 3.9760 3.9760 3.9907 3.9907 4.0289 4.0289 4.0441 4.0441 6.6741 6.6741 6.7579 6.7579 8.1347 8.1347 8.2821 8.2821 10.1162 10.1162 k = 0.4643 0.2482 0.1708 ( 6091 PWs) bands (ev): -8.0611 -8.0611 -7.8960 -7.8960 -6.8383 -6.8383 -6.8377 -6.8377 -6.8047 -6.8047 -6.8042 -6.8042 -1.0356 -1.0356 -0.8957 -0.8957 0.1934 0.1934 0.6671 0.6671 0.8817 0.8817 0.9003 0.9003 1.1282 1.1282 1.1503 1.1503 2.3469 2.3469 2.3781 2.3781 2.6292 2.6292 2.6367 2.6367 2.9163 2.9163 2.9256 2.9256 3.9693 3.9693 3.9986 3.9986 4.0219 4.0219 4.0521 4.0521 6.6395 6.6395 6.8062 6.8062 8.0593 8.0593 8.3548 8.3548 10.0856 10.0856 k = 0.4464 0.2386 0.1642 ( 6076 PWs) bands (ev): -8.1003 -8.1003 -7.8531 -7.8531 -6.8463 -6.8463 -6.8458 -6.8458 -6.7961 -6.7961 -6.7956 -6.7956 -1.0667 -1.0667 -0.8567 -0.8567 0.0771 0.0771 0.7847 0.7847 0.8231 0.8231 0.8411 0.8411 1.1908 1.1908 1.2141 1.2141 2.3320 2.3320 2.3792 2.3792 2.5621 2.5621 2.5689 2.5689 2.9891 2.9891 2.9984 2.9984 3.9632 3.9632 4.0068 4.0068 4.0153 4.0153 4.0603 4.0603 6.6104 6.6104 6.8579 6.8579 7.9824 7.9824 8.4273 8.4273 10.0296 10.0332 k = 0.4286 0.2291 0.1577 ( 6070 PWs) bands (ev): -8.1384 -8.1384 -7.8097 -7.8097 -6.8543 -6.8543 -6.8537 -6.8537 -6.7875 -6.7875 -6.7870 -6.7870 -1.0963 -1.0963 -0.8161 -0.8161 -0.0376 -0.0376 0.7663 0.7663 0.7837 0.7837 0.9004 0.9004 1.2524 1.2524 1.2772 1.2772 2.3144 2.3144 2.3786 2.3786 2.4987 2.4987 2.5049 2.5049 3.0610 3.0610 3.0702 3.0702 3.9578 3.9578 4.0092 4.0092 4.0152 4.0152 4.0687 4.0687 6.5867 6.5867 6.9125 6.9125 7.9039 7.9039 8.5000 8.5000 9.9421 9.9421 k = 0.4107 0.2195 0.1511 ( 6073 PWs) bands (ev): -8.1754 -8.1754 -7.7660 -7.7660 -6.8620 -6.8620 -6.8614 -6.8614 -6.7790 -6.7790 -6.7785 -6.7785 -1.1245 -1.1245 -0.7738 -0.7738 -0.1504 -0.1504 0.7114 0.7114 0.7282 0.7282 1.0127 1.0127 1.3121 1.3121 1.3385 1.3385 2.2945 2.2945 2.3766 2.3766 2.4402 2.4402 2.4465 2.4465 3.1313 3.1313 3.1401 3.1401 3.9532 3.9532 4.0038 4.0038 4.0240 4.0240 4.0773 4.0773 6.5685 6.5685 6.9690 6.9690 7.8236 7.8236 8.5734 8.5734 9.8526 9.8526 k = 0.3929 0.2100 0.1445 ( 6058 PWs) bands (ev): -8.2113 -8.2113 -7.7221 -7.7221 -6.8695 -6.8695 -6.8689 -6.8689 -6.7704 -6.7704 -6.7700 -6.7700 -1.1512 -1.1512 -0.7299 -0.7299 -0.2609 -0.2609 0.6585 0.6585 0.6749 0.6749 1.1199 1.1199 1.3682 1.3682 1.3965 1.3965 2.2725 2.2725 2.3696 2.3696 2.3883 2.3883 2.4007 2.4007 3.1994 3.1994 3.2074 3.2074 3.9495 3.9495 3.9991 3.9991 4.0332 4.0332 4.0861 4.0861 6.5558 6.5558 7.0267 7.0267 7.7416 7.7416 8.6481 8.6481 9.7620 9.7620 k = 0.3750 0.2004 0.1380 ( 6070 PWs) bands (ev): -8.2460 -8.2460 -7.6782 -7.6782 -6.8768 -6.8768 -6.8761 -6.8761 -6.7620 -6.7620 -6.7615 -6.7615 -1.1766 -1.1766 -0.6843 -0.6843 -0.3687 -0.3687 0.6078 0.6078 0.6239 0.6239 1.2196 1.2196 1.4190 1.4190 1.4493 1.4493 2.2488 2.2488 2.3397 2.3397 2.3451 2.3451 2.3898 2.3898 3.2645 3.2645 3.2715 3.2715 3.9471 3.9471 3.9954 3.9954 4.0427 4.0427 4.0952 4.0952 6.5482 6.5482 7.0847 7.0847 7.6579 7.6579 8.7245 8.7245 9.6718 9.6719 k = 0.3571 0.1909 0.1314 ( 6052 PWs) bands (ev): -8.2793 -8.2793 -7.6343 -7.6343 -6.8838 -6.8838 -6.8832 -6.8832 -6.7536 -6.7536 -6.7532 -6.7532 -1.2007 -1.2007 -0.6372 -0.6372 -0.4737 -0.4737 0.5594 0.5594 0.5751 0.5751 1.3089 1.3089 1.4619 1.4619 1.4943 1.4943 2.2236 2.2236 2.3082 2.3082 2.3130 2.3130 2.3982 2.3982 3.3259 3.3259 3.3313 3.3313 3.9458 3.9458 3.9927 3.9927 4.0528 4.0528 4.1046 4.1046 6.5452 6.5452 7.1423 7.1423 7.5727 7.5727 8.8032 8.8032 9.5830 9.5831 k = 0.3393 0.1814 0.1248 ( 6040 PWs) bands (ev): -8.3114 -8.3114 -7.5907 -7.5907 -6.8906 -6.8906 -6.8899 -6.8899 -6.7454 -6.7454 -6.7450 -6.7450 -1.2237 -1.2237 -0.5908 -0.5908 -0.5731 -0.5731 0.5134 0.5134 0.5286 0.5286 1.3841 1.3841 1.4943 1.4943 1.5286 1.5286 2.1975 2.1975 2.2891 2.2891 2.2948 2.2948 2.4183 2.4183 3.3829 3.3829 3.3863 3.3863 3.9459 3.9459 3.9910 3.9910 4.0635 4.0635 4.1144 4.1144 6.5461 6.5461 7.1985 7.1985 7.4864 7.4864 8.8845 8.8845 9.4969 9.4970 k = 0.3214 0.1718 0.1182 ( 6031 PWs) bands (ev): -8.3420 -8.3420 -7.5475 -7.5475 -6.8971 -6.8971 -6.8964 -6.8964 -6.7374 -6.7374 -6.7370 -6.7370 -1.2455 -1.2455 -0.6745 -0.6745 -0.5373 -0.5373 0.4697 0.4697 0.4847 0.4847 1.4418 1.4418 1.5141 1.5141 1.5496 1.5496 2.1706 2.1706 2.2863 2.2863 2.2926 2.2926 2.4525 2.4525 3.4348 3.4348 3.4356 3.4356 3.9474 3.9474 3.9905 3.9905 4.0751 4.0751 4.1247 4.1247 6.5500 6.5500 7.2527 7.2527 7.3996 7.3996 8.9690 8.9690 9.4146 9.4147 k = 0.3036 0.1623 0.1117 ( 6043 PWs) bands (ev): -8.3712 -8.3712 -7.5049 -7.5049 -6.9033 -6.9033 -6.9026 -6.9026 -6.7295 -6.7295 -6.7291 -6.7291 -1.2665 -1.2665 -0.7689 -0.7689 -0.4853 -0.4853 0.4285 0.4285 0.4431 0.4431 1.4796 1.4796 1.5204 1.5204 1.5563 1.5563 2.1433 2.1433 2.3012 2.3012 2.3074 2.3074 2.5030 2.5030 3.4786 3.4786 3.4809 3.4809 3.9500 3.9500 3.9909 3.9909 4.0876 4.0876 4.1356 4.1356 6.5553 6.5553 7.3022 7.3022 7.3153 7.3153 9.0567 9.0567 9.3370 9.3370 k = 0.2857 0.1527 0.1051 ( 6043 PWs) bands (ev): -8.3990 -8.3990 -7.4631 -7.4631 -6.9092 -6.9092 -6.9085 -6.9085 -6.7219 -6.7219 -6.7216 -6.7216 -1.2868 -1.2868 -0.8591 -0.8591 -0.4317 -0.4317 0.3897 0.3897 0.4041 0.4041 1.4970 1.4970 1.5141 1.5141 1.5496 1.5496 2.1160 2.1160 2.3328 2.3328 2.3384 2.3384 2.5703 2.5703 3.5151 3.5151 3.5208 3.5208 3.9535 3.9535 3.9922 3.9922 4.1012 4.1012 4.1472 4.1472 6.5600 6.5600 7.2285 7.2285 7.3533 7.3533 9.1478 9.1478 9.2650 9.2650 k = 0.2679 0.1432 0.0985 ( 6031 PWs) bands (ev): -8.4253 -8.4253 -7.4222 -7.4222 -6.9148 -6.9148 -6.9141 -6.9141 -6.7146 -6.7146 -6.7142 -6.7142 -1.3067 -1.3067 -0.9444 -0.9444 -0.3764 -0.3764 0.3534 0.3534 0.3675 0.3675 1.4955 1.4955 1.4974 1.4974 1.5321 1.5321 2.0888 2.0888 2.3788 2.3788 2.3831 2.3831 2.6531 2.6531 3.5449 3.5449 3.5544 3.5544 3.9573 3.9573 3.9938 3.9938 4.1158 4.1158 4.1596 4.1596 6.5610 6.5610 7.1491 7.1491 7.3982 7.3982 9.1995 9.1995 9.2138 9.2138 k = 0.2500 0.1336 0.0920 ( 6031 PWs) bands (ev): -8.4500 -8.4500 -7.3826 -7.3826 -6.9201 -6.9201 -6.9193 -6.9193 -6.7076 -6.7076 -6.7072 -6.7072 -1.3268 -1.3268 -1.0242 -1.0242 -0.3195 -0.3195 0.3196 0.3196 0.3335 0.3335 1.4733 1.4733 1.4780 1.4780 1.5070 1.5070 2.0621 2.0621 2.4357 2.4357 2.4387 2.4387 2.7485 2.7485 3.5686 3.5686 3.5818 3.5818 3.9608 3.9608 3.9953 3.9953 4.1311 4.1311 4.1724 4.1724 6.5538 6.5538 7.0785 7.0785 7.4394 7.4394 9.1414 9.1414 9.1560 9.1560 k = 0.2321 0.1241 0.0854 ( 6034 PWs) bands (ev): -8.4731 -8.4731 -7.3443 -7.3443 -6.9250 -6.9250 -6.9243 -6.9243 -6.7009 -6.7009 -6.7005 -6.7005 -1.3480 -1.3480 -1.0973 -1.0973 -0.2611 -0.2611 0.2884 0.2884 0.3020 0.3020 1.4444 1.4444 1.4475 1.4475 1.4770 1.4770 2.0361 2.0361 2.5007 2.5007 2.5024 2.5024 2.8536 2.8536 3.5865 3.5865 3.6032 3.6032 3.9634 3.9634 3.9961 3.9961 4.1467 4.1467 4.1855 4.1855 6.5328 6.5328 7.0220 7.0220 7.4767 7.4767 9.0913 9.0913 9.1061 9.1061 k = 0.2143 0.1145 0.0788 ( 6040 PWs) bands (ev): -8.4946 -8.4946 -7.3076 -7.3076 -6.9296 -6.9296 -6.9289 -6.9289 -6.6945 -6.6945 -6.6942 -6.6942 -1.3716 -1.3716 -1.1622 -1.1622 -0.2013 -0.2013 0.2596 0.2596 0.2730 0.2730 1.4071 1.4071 1.4129 1.4129 1.4444 1.4444 2.0110 2.0110 2.5714 2.5714 2.5719 2.5719 2.9654 2.9654 3.5996 3.5996 3.6193 3.6193 3.9646 3.9646 3.9957 3.9957 4.1618 4.1618 4.1985 4.1985 6.4931 6.4931 6.9842 6.9842 7.5102 7.5102 9.0498 9.0498 9.0649 9.0649 k = 0.1964 0.1050 0.0723 ( 6046 PWs) bands (ev): -8.5145 -8.5145 -7.2728 -7.2728 -6.9339 -6.9339 -6.9331 -6.9331 -6.6886 -6.6886 -6.6882 -6.6882 -1.3994 -1.3994 -1.2168 -1.2168 -0.1400 -0.1400 0.2332 0.2332 0.2465 0.2465 1.3588 1.3588 1.3805 1.3805 1.4109 1.4109 1.9872 1.9872 2.6454 2.6454 2.6459 2.6459 3.0817 3.0817 3.6084 3.6084 3.6305 3.6305 3.9639 3.9639 3.9935 3.9935 4.1759 4.1759 4.2108 4.2108 6.4339 6.4339 6.9657 6.9657 7.5398 7.5398 9.0176 9.0176 9.0329 9.0329 k = 0.1786 0.0955 0.0657 ( 6037 PWs) bands (ev): -8.5328 -8.5328 -7.2401 -7.2401 -6.9378 -6.9378 -6.9370 -6.9370 -6.6830 -6.6830 -6.6827 -6.6827 -1.4328 -1.4328 -1.2597 -1.2597 -0.0773 -0.0773 0.2094 0.2094 0.2225 0.2225 1.3044 1.3044 1.3484 1.3484 1.3778 1.3778 1.9648 1.9648 2.7215 2.7215 2.7228 2.7228 3.2003 3.2003 3.6137 3.6137 3.6375 3.6375 3.9610 3.9610 3.9893 3.9893 4.1883 4.1883 4.2221 4.2221 6.3586 6.3586 6.9629 6.9629 7.5658 7.5658 8.9950 8.9950 9.0105 9.0105 k = 0.1607 0.0859 0.0591 ( 6037 PWs) bands (ev): -8.5494 -8.5494 -7.2096 -7.2096 -6.9413 -6.9413 -6.9405 -6.9405 -6.6779 -6.6779 -6.6776 -6.6776 -1.4710 -1.4710 -1.2912 -1.2912 -0.0133 -0.0133 0.1879 0.1879 0.2010 0.2010 1.2452 1.2452 1.3175 1.3175 1.3461 1.3461 1.9440 1.9440 2.7990 2.7990 2.8009 2.8009 3.3195 3.3195 3.6160 3.6160 3.6407 3.6407 3.9556 3.9556 3.9827 3.9827 4.1987 4.1987 4.2319 4.2319 6.2725 6.2725 6.9707 6.9707 7.5883 7.5883 8.9824 8.9824 8.9979 8.9979 k = 0.1429 0.0764 0.0526 ( 6031 PWs) bands (ev): -8.5642 -8.5642 -7.1816 -7.1816 -6.9445 -6.9445 -6.9437 -6.9437 -6.6733 -6.6733 -6.6730 -6.6730 -1.5114 -1.5114 -1.3138 -1.3138 0.0518 0.0518 0.1689 0.1689 0.1819 0.1819 1.1823 1.1823 1.2885 1.2885 1.3164 1.3164 1.9249 1.9249 2.8769 2.8769 2.8791 2.8791 3.4376 3.4376 3.6155 3.6155 3.6403 3.6403 3.9478 3.9478 3.9737 3.9737 4.2070 4.2070 4.2401 4.2401 6.1803 6.1803 6.9846 6.9846 7.6076 7.6076 8.9799 8.9799 8.9954 8.9954 k = 0.1250 0.0668 0.0460 ( 6007 PWs) bands (ev): -8.5774 -8.5774 -7.1563 -7.1563 -6.9473 -6.9473 -6.9465 -6.9465 -6.6692 -6.6692 -6.6689 -6.6689 -1.5512 -1.5512 -1.3302 -1.3302 0.1177 0.1177 0.1522 0.1522 0.1656 0.1656 1.1165 1.1165 1.2620 1.2620 1.2893 1.2893 1.9077 1.9077 2.9542 2.9542 2.9566 2.9566 3.5522 3.5522 3.6128 3.6128 3.6364 3.6364 3.9375 3.9375 3.9626 3.9626 4.2132 4.2132 4.2466 4.2466 6.0857 6.0857 7.0016 7.0016 7.6240 7.6240 8.9875 8.9875 9.0029 9.0029 k = 0.1071 0.0573 0.0394 ( 5998 PWs) bands (ev): -8.5889 -8.5889 -7.1339 -7.1339 -6.9498 -6.9498 -6.9490 -6.9490 -6.6655 -6.6655 -6.6653 -6.6653 -1.5881 -1.5881 -1.3424 -1.3424 0.1378 0.1378 0.1492 0.1492 0.1872 0.1872 1.0486 1.0486 1.2383 1.2383 1.2652 1.2652 1.8925 1.8925 3.0301 3.0301 3.0323 3.0323 3.6048 3.6048 3.6287 3.6287 3.6641 3.6641 3.9252 3.9252 3.9497 3.9497 4.2176 4.2176 4.2516 4.2516 5.9920 5.9920 7.0194 7.0194 7.6376 7.6376 9.0050 9.0050 9.0204 9.0204 k = 0.0893 0.0477 0.0328 ( 5995 PWs) bands (ev): -8.5986 -8.5986 -7.1146 -7.1146 -6.9519 -6.9519 -6.9510 -6.9510 -6.6624 -6.6624 -6.6622 -6.6622 -1.6208 -1.6208 -1.3516 -1.3516 0.1257 0.1257 0.1377 0.1377 0.2548 0.2548 0.9792 0.9792 1.2178 1.2178 1.2444 1.2444 1.8795 1.8795 3.1036 3.1036 3.1053 3.1053 3.5960 3.5960 3.6169 3.6169 3.7661 3.7661 3.9114 3.9114 3.9358 3.9358 4.2206 4.2206 4.2552 4.2552 5.9023 5.9023 7.0364 7.0364 7.6487 7.6487 9.0322 9.0322 9.0474 9.0474 k = 0.0714 0.0382 0.0263 ( 5989 PWs) bands (ev): -8.6065 -8.6065 -7.0986 -7.0986 -6.9536 -6.9536 -6.9527 -6.9527 -6.6599 -6.6599 -6.6596 -6.6596 -1.6483 -1.6483 -1.3586 -1.3586 0.1159 0.1159 0.1280 0.1280 0.3238 0.3238 0.9089 0.9089 1.2007 1.2007 1.2270 1.2270 1.8688 1.8688 3.1735 3.1735 3.1744 3.1744 3.5831 3.5831 3.6007 3.6007 3.8568 3.8568 3.8986 3.8986 3.9220 3.9220 4.2228 4.2228 4.2577 4.2577 5.8198 5.8198 7.0517 7.0517 7.6576 7.6576 9.0687 9.0687 9.0837 9.0837 k = 0.0536 0.0286 0.0197 ( 5983 PWs) bands (ev): -8.6127 -8.6127 -7.0860 -7.0860 -6.9549 -6.9549 -6.9541 -6.9541 -6.6579 -6.6579 -6.6576 -6.6576 -1.6701 -1.6701 -1.3637 -1.3637 0.1083 0.1083 0.1203 0.1203 0.3931 0.3931 0.8382 0.8382 1.1872 1.1872 1.2133 1.2133 1.8603 1.8603 3.2377 3.2377 3.2383 3.2383 3.5662 3.5662 3.5798 3.5798 3.8811 3.8811 3.9095 3.9095 3.9388 3.9388 4.2246 4.2246 4.2593 4.2593 5.7487 5.7487 7.0644 7.0644 7.6642 7.6642 9.1139 9.1139 9.1286 9.1286 k = 0.0357 0.0191 0.0131 ( 5988 PWs) bands (ev): -8.6171 -8.6171 -7.0769 -7.0769 -6.9558 -6.9558 -6.9550 -6.9550 -6.6564 -6.6564 -6.6562 -6.6562 -1.6860 -1.6860 -1.3672 -1.3672 0.1029 0.1029 0.1149 0.1149 0.4619 0.4619 0.7684 0.7684 1.1775 1.1775 1.2035 1.2035 1.8542 1.8542 3.2925 3.2925 3.2951 3.2951 3.5463 3.5463 3.5555 3.5555 3.8708 3.8708 3.8995 3.8995 3.9977 3.9977 4.2263 4.2263 4.2603 4.2603 5.6931 5.6931 7.0738 7.0738 7.6689 7.6689 9.1673 9.1673 9.1816 9.1816 k = 0.0179 0.0095 0.0066 ( 5964 PWs) bands (ev): -8.6198 -8.6198 -7.0714 -7.0714 -6.9564 -6.9564 -6.9556 -6.9556 -6.6556 -6.6556 -6.6553 -6.6553 -1.6955 -1.6955 -1.3693 -1.3693 0.0996 0.0996 0.1116 0.1116 0.5268 0.5268 0.7028 0.7028 1.1716 1.1716 1.1975 1.1975 1.8506 1.8506 3.3332 3.3332 3.3384 3.3384 3.5273 3.5273 3.5323 3.5323 3.8636 3.8636 3.8932 3.8932 4.0352 4.0352 4.2278 4.2278 4.2609 4.2609 5.6574 5.6574 7.0797 7.0797 7.6717 7.6717 9.2280 9.2280 9.2419 9.2419 k = 0.0000 0.0000 0.0000 ( 5979 PWs) bands (ev): -8.6207 -8.6207 -7.0696 -7.0696 -6.9566 -6.9566 -6.9558 -6.9558 -6.6553 -6.6553 -6.6550 -6.6550 -1.6988 -1.6988 -1.3700 -1.3700 0.0986 0.0986 0.1106 0.1106 0.5649 0.5649 0.6645 0.6645 1.1696 1.1696 1.1955 1.1955 1.8493 1.8493 3.3493 3.3493 3.3560 3.3560 3.5186 3.5186 3.5214 3.5214 3.8611 3.8611 3.8910 3.8910 4.0479 4.0479 4.2285 4.2285 4.2610 4.2610 5.6451 5.6451 7.0816 7.0816 7.6726 7.6726 9.2910 9.2910 9.3004 9.3004 k = 0.0000 0.0000 0.0000 ( 5979 PWs) bands (ev): -8.6207 -8.6207 -7.0696 -7.0696 -6.9566 -6.9566 -6.9558 -6.9558 -6.6553 -6.6553 -6.6550 -6.6550 -1.6988 -1.6988 -1.3700 -1.3700 0.0986 0.0986 0.1106 0.1106 0.5649 0.5649 0.6645 0.6645 1.1696 1.1696 1.1955 1.1955 1.8493 1.8493 3.3493 3.3493 3.3560 3.3560 3.5186 3.5186 3.5214 3.5214 3.8611 3.8611 3.8910 3.8910 4.0479 4.0479 4.2285 4.2285 4.2610 4.2610 5.6451 5.6451 7.0816 7.0816 7.6726 7.6726 9.2910 9.2911 9.3004 9.3004 k = 0.0102-0.0068-0.0179 ( 5975 PWs) bands (ev): -8.6198 -8.6198 -7.0702 -7.0702 -6.9569 -6.9569 -6.9560 -6.9560 -6.6556 -6.6556 -6.6554 -6.6554 -1.6977 -1.6977 -1.3691 -1.3691 0.0912 0.0912 0.1094 0.1094 0.5785 0.5785 0.6599 0.6599 1.1719 1.1719 1.1993 1.1993 1.8537 1.8537 3.3421 3.3421 3.3499 3.3499 3.5201 3.5201 3.5233 3.5233 3.8555 3.8555 3.8843 3.8843 4.0514 4.0514 4.2259 4.2259 4.2586 4.2586 5.6574 5.6574 7.0817 7.0817 7.6777 7.6777 9.2682 9.2682 9.2694 9.2694 k = 0.0205-0.0137-0.0358 ( 5977 PWs) bands (ev): -8.6171 -8.6171 -7.0722 -7.0722 -6.9580 -6.9580 -6.9565 -6.9565 -6.6568 -6.6568 -6.6565 -6.6565 -1.6944 -1.6944 -1.3664 -1.3664 0.0627 0.0627 0.1155 0.1155 0.6159 0.6159 0.6473 0.6473 1.1728 1.1728 1.2160 1.2160 1.8667 1.8667 3.3190 3.3190 3.3356 3.3356 3.5226 3.5226 3.5284 3.5284 3.8396 3.8396 3.8656 3.8656 4.0601 4.0601 4.2139 4.2139 4.2569 4.2569 5.6930 5.6930 7.0820 7.0820 7.6928 7.6928 9.2333 9.2333 9.2361 9.2361 k = 0.0307-0.0205-0.0536 ( 5981 PWs) bands (ev): -8.6127 -8.6127 -7.0757 -7.0757 -6.9601 -6.9601 -6.9568 -6.9568 -6.6586 -6.6586 -6.6583 -6.6583 -1.6889 -1.6889 -1.3619 -1.3619 0.0210 0.0210 0.1280 0.1280 0.6278 0.6278 0.6706 0.6706 1.1688 1.1688 1.2479 1.2479 1.8877 1.8877 3.2822 3.2822 3.3152 3.3152 3.5218 3.5218 3.5359 3.5359 3.8150 3.8150 3.8370 3.8370 4.0711 4.0711 4.1904 4.1904 4.2613 4.2613 5.7489 5.7489 7.0824 7.0824 7.7172 7.7172 9.1960 9.1960 9.1996 9.1996 k = 0.0409-0.0274-0.0715 ( 5995 PWs) bands (ev): -8.6064 -8.6064 -7.0810 -7.0810 -6.9632 -6.9632 -6.9567 -6.9567 -6.6613 -6.6613 -6.6609 -6.6609 -1.6813 -1.6813 -1.3557 -1.3557 -0.0273 -0.0273 0.1456 0.1456 0.6046 0.6046 0.7354 0.7354 1.1627 1.1627 1.2909 1.2909 1.9160 1.9160 3.2344 3.2344 3.2899 3.2899 3.5139 3.5139 3.5442 3.5442 3.7829 3.7829 3.8016 3.8016 4.0816 4.0816 4.1617 4.1617 4.2701 4.2701 5.8212 5.8212 7.0827 7.0827 7.7501 7.7501 9.1554 9.1554 9.1610 9.1610 k = 0.0512-0.0342-0.0894 ( 5989 PWs) bands (ev): -8.5985 -8.5985 -7.0883 -7.0883 -6.9670 -6.9670 -6.9559 -6.9559 -6.6646 -6.6646 -6.6642 -6.6642 -1.6715 -1.6715 -1.3477 -1.3477 -0.0781 -0.0781 0.1682 0.1682 0.5792 0.5792 0.8064 0.8064 1.1566 1.1566 1.3424 1.3424 1.9508 1.9508 3.1769 3.1769 3.2607 3.2607 3.4963 3.4963 3.5524 3.5524 3.7432 3.7432 3.7633 3.7633 4.0881 4.0881 4.1353 4.1353 4.2813 4.2813 5.9059 5.9059 7.0828 7.0828 7.7900 7.7900 9.1102 9.1102 9.1211 9.1211 k = 0.0614-0.0410-0.1073 ( 5991 PWs) bands (ev): -8.5887 -8.5887 -7.0978 -7.0978 -6.9718 -6.9718 -6.9542 -6.9542 -6.6687 -6.6687 -6.6683 -6.6683 -1.6595 -1.6595 -1.3378 -1.3378 -0.1294 -0.1294 0.1956 0.1956 0.5529 0.5529 0.8795 0.8795 1.1534 1.1534 1.4004 1.4004 1.9911 1.9911 3.1102 3.1102 3.2286 3.2286 3.4670 3.4670 3.5598 3.5598 3.6973 3.6973 3.7246 3.7246 4.0832 4.0832 4.1218 4.1218 4.2937 4.2937 5.9996 5.9996 7.0824 7.0824 7.8353 7.8353 9.0588 9.0588 9.0804 9.0804 k = 0.0716-0.0479-0.1252 ( 5993 PWs) bands (ev): -8.5773 -8.5773 -7.1096 -7.1096 -6.9774 -6.9774 -6.9514 -6.9514 -6.6734 -6.6734 -6.6731 -6.6731 -1.6455 -1.6455 -1.3262 -1.3262 -0.1798 -0.1798 0.2274 0.2274 0.5270 0.5270 0.9488 0.9488 1.1582 1.1582 1.4638 1.4638 2.0361 2.0361 3.0348 3.0348 3.1943 3.1943 3.4258 3.4258 3.5659 3.5659 3.6484 3.6484 3.6850 3.6850 4.0671 4.0671 4.1225 4.1225 4.3063 4.3063 6.0995 6.0995 7.0813 7.0813 7.8840 7.8840 9.0000 9.0000 9.0395 9.0395 k = 0.0819-0.0547-0.1431 ( 5991 PWs) bands (ev): -8.5641 -8.5641 -7.1236 -7.1236 -6.9837 -6.9837 -6.9473 -6.9473 -6.6789 -6.6789 -6.6787 -6.6787 -1.6293 -1.6293 -1.3128 -1.3128 -0.2285 -0.2285 0.2634 0.2634 0.5021 0.5021 1.0036 1.0036 1.1812 1.1812 1.5314 1.5314 2.0851 2.0851 2.9514 2.9514 3.1585 3.1585 3.3736 3.3736 3.5679 3.5679 3.6007 3.6007 3.6443 3.6443 4.0515 4.0515 4.1264 4.1264 4.3183 4.3183 6.2031 6.2031 7.0793 7.0793 7.9340 7.9340 8.9329 8.9329 8.9986 8.9986 k = 0.0921-0.0615-0.1609 ( 5993 PWs) bands (ev): -8.5492 -8.5492 -7.1399 -7.1399 -6.9909 -6.9909 -6.9420 -6.9420 -6.6852 -6.6852 -6.6848 -6.6848 -1.6110 -1.6110 -1.2976 -1.2976 -0.2750 -0.2750 0.3033 0.3033 0.4787 0.4787 1.0338 1.0338 1.2324 1.2324 1.6028 1.6028 2.1374 2.1374 2.8609 2.8609 3.1217 3.1217 3.3127 3.3127 3.5384 3.5384 3.5801 3.5801 3.6043 3.6043 4.0397 4.0397 4.1298 4.1298 4.3292 4.3292 6.3087 6.3087 7.0760 7.0760 7.9829 7.9829 8.8574 8.8574 8.9584 8.9584 k = 0.1023-0.0684-0.1788 ( 5989 PWs) bands (ev): -8.5326 -8.5326 -7.1582 -7.1582 -6.9989 -6.9989 -6.9355 -6.9355 -6.6923 -6.6923 -6.6915 -6.6915 -1.5906 -1.5906 -1.2807 -1.2807 -0.3188 -0.3188 0.3467 0.3467 0.4571 0.4571 1.0450 1.0450 1.3058 1.3058 1.6772 1.6772 2.1922 2.1922 2.7646 2.7646 3.0846 3.0846 3.2452 3.2452 3.4867 3.4867 3.5544 3.5544 3.5884 3.5884 4.0315 4.0315 4.1318 4.1318 4.3385 4.3385 6.4146 6.4146 7.0712 7.0712 8.0283 8.0283 8.7743 8.7743 8.9195 8.9195 k = 0.1126-0.0752-0.1967 ( 5989 PWs) bands (ev): -8.5144 -8.5144 -7.1783 -7.1783 -7.0076 -7.0076 -6.9280 -6.9280 -6.7003 -6.7003 -6.6987 -6.6987 -1.5682 -1.5682 -1.2619 -1.2619 -0.3599 -0.3599 0.3920 0.3920 0.4386 0.4386 1.0482 1.0482 1.3903 1.3903 1.7542 1.7542 2.2490 2.2490 2.6641 2.6641 3.0477 3.0477 3.1727 3.1727 3.4322 3.4322 3.5113 3.5113 3.5898 3.5898 4.0262 4.0262 4.1320 4.1320 4.3458 4.3458 6.5195 6.5195 7.0645 7.0645 8.0679 8.0679 8.6847 8.6847 8.8825 8.8825 k = 0.1228-0.0821-0.2146 ( 5989 PWs) bands (ev): -8.4946 -8.4946 -7.2000 -7.2000 -7.0170 -7.0170 -6.9194 -6.9194 -6.7090 -6.7090 -6.7064 -6.7064 -1.5438 -1.5438 -1.2413 -1.2413 -0.3979 -0.3979 0.4144 0.4144 0.4477 0.4477 1.0489 1.0489 1.4796 1.4796 1.8333 1.8333 2.3071 2.3071 2.5613 2.5613 3.0118 3.0118 3.0962 3.0962 3.3767 3.3767 3.4665 3.4665 3.5919 3.5919 4.0227 4.0227 4.1304 4.1304 4.3508 4.3508 6.6220 6.6220 7.0559 7.0559 8.0995 8.0995 8.5902 8.5902 8.8480 8.8480 k = 0.1330-0.0889-0.2325 ( 5983 PWs) bands (ev): -8.4731 -8.4731 -7.2231 -7.2231 -7.0270 -7.0270 -6.9099 -6.9099 -6.7184 -6.7184 -6.7145 -6.7145 -1.5175 -1.5175 -1.2190 -1.2190 -0.4327 -0.4327 0.4007 0.4007 0.4967 0.4967 1.0496 1.0496 1.5709 1.5709 1.9136 1.9136 2.3654 2.3654 2.4584 2.4584 2.9776 2.9776 3.0166 3.0166 3.3206 3.3206 3.4209 3.4209 3.5936 3.5936 4.0203 4.0203 4.1268 4.1268 4.3533 4.3533 6.7210 6.7210 7.0450 7.0450 8.1216 8.1216 8.4925 8.4925 8.8169 8.8169 k = 0.1433-0.0957-0.2504 ( 5987 PWs) bands (ev): -8.4501 -8.4501 -7.2475 -7.2475 -7.0378 -7.0378 -6.8997 -6.8997 -6.7284 -6.7284 -6.7231 -6.7231 -1.4893 -1.4893 -1.1949 -1.1949 -0.4643 -0.4643 0.3868 0.3868 0.5489 0.5489 1.0513 1.0513 1.6624 1.6624 1.9936 1.9936 2.3552 2.3552 2.4263 2.4263 2.9332 2.9332 2.9473 2.9473 3.2644 3.2644 3.3750 3.3750 3.5948 3.5948 4.0182 4.0182 4.1212 4.1212 4.3533 4.3533 6.8152 6.8152 7.0319 7.0319 8.1334 8.1334 8.3931 8.3931 8.7895 8.7895 k = 0.1535-0.1026-0.2682 ( 6003 PWs) bands (ev): -8.4256 -8.4256 -7.2730 -7.2730 -7.0491 -7.0491 -6.8887 -6.8887 -6.7392 -6.7392 -6.7321 -6.7321 -1.4592 -1.4592 -1.1691 -1.1691 -0.4925 -0.4925 0.3741 0.3741 0.6017 0.6017 1.0546 1.0546 1.7524 1.7524 2.0677 2.0677 2.2647 2.2647 2.4833 2.4833 2.8494 2.8494 2.9194 2.9194 3.2083 3.2083 3.3289 3.3289 3.5954 3.5954 4.0159 4.0159 4.1134 4.1134 4.3506 4.3506 6.9034 6.9034 7.0166 7.0166 8.1346 8.1346 8.2935 8.2935 8.7665 8.7665 k = 0.1637-0.1094-0.2861 ( 5990 PWs) bands (ev): -8.3996 -8.3996 -7.2993 -7.2993 -7.0609 -7.0609 -6.8770 -6.8770 -6.7505 -6.7505 -6.7415 -6.7415 -1.4274 -1.4274 -1.1415 -1.1415 -0.5173 -0.5173 0.3627 0.3627 0.6536 0.6536 1.0597 1.0597 1.8395 1.8395 2.0956 2.0956 2.2249 2.2249 2.5389 2.5389 2.7637 2.7637 2.8977 2.8977 3.1524 3.1524 3.2828 3.2828 3.5955 3.5955 4.0130 4.0130 4.1035 4.1035 4.3452 4.3452 6.9818 6.9818 7.0017 7.0017 8.1258 8.1258 8.1951 8.1951 8.7481 8.7481 k = 0.1740-0.1162-0.3040 ( 6012 PWs) bands (ev): -8.3722 -8.3722 -7.3263 -7.3263 -7.0732 -7.0732 -6.8649 -6.8649 -6.7624 -6.7624 -6.7512 -6.7512 -1.3938 -1.3938 -1.1122 -1.1122 -0.5386 -0.5386 0.3522 0.3522 0.7029 0.7029 1.0669 1.0669 1.9215 1.9215 2.0349 2.0349 2.2807 2.2807 2.5915 2.5915 2.6771 2.6771 2.8837 2.8837 3.0969 3.0969 3.2369 3.2369 3.5952 3.5952 4.0092 4.0092 4.0915 4.0915 4.3373 4.3373 6.9775 6.9775 7.0592 7.0592 8.0964 8.0964 8.1110 8.1110 8.7344 8.7344 k = 0.1842-0.1231-0.3219 ( 6014 PWs) bands (ev): -8.3433 -8.3433 -7.3539 -7.3539 -7.0860 -7.0860 -6.8524 -6.8524 -6.7747 -6.7747 -6.7611 -6.7611 -1.3587 -1.3587 -1.0812 -1.0812 -0.5564 -0.5564 0.3419 0.3419 0.7478 0.7478 1.0761 1.0761 1.9585 1.9585 1.9965 1.9965 2.3607 2.3607 2.5895 2.5895 2.6412 2.6412 2.8794 2.8794 3.0419 3.0419 3.1916 3.1916 3.5945 3.5945 4.0041 4.0041 4.0773 4.0773 4.3269 4.3269 6.9560 6.9560 7.1228 7.1228 8.0052 8.0052 8.0850 8.0850 8.7255 8.7255 k = 0.1944-0.1299-0.3398 ( 6012 PWs) bands (ev): -8.3132 -8.3132 -7.3819 -7.3819 -7.0992 -7.0992 -6.8396 -6.8396 -6.7873 -6.7873 -6.7713 -6.7713 -1.3222 -1.3222 -1.0485 -1.0485 -0.5706 -0.5706 0.3313 0.3313 0.7860 0.7860 1.0873 1.0873 1.8902 1.8902 2.0607 2.0607 2.4409 2.4409 2.5075 2.5075 2.6860 2.6860 2.8858 2.8858 2.9877 2.9877 3.1473 3.1473 3.5934 3.5934 3.9975 3.9975 4.0610 4.0610 4.3143 4.3143 6.9327 6.9327 7.1766 7.1766 7.9167 7.9167 8.0554 8.0554 8.7212 8.7212 k = 0.2047-0.1368-0.3577 ( 6020 PWs) bands (ev): -8.2818 -8.2818 -7.4101 -7.4101 -7.1127 -7.1127 -6.8271 -6.8271 -6.7998 -6.7998 -6.7817 -6.7817 -1.2843 -1.2843 -1.0142 -1.0142 -0.5811 -0.5811 0.3194 0.3194 0.8151 0.8151 1.1007 1.1007 1.8349 1.8349 2.1122 2.1122 2.4106 2.4106 2.5375 2.5375 2.7297 2.7297 2.8996 2.8996 2.9361 2.9361 3.1051 3.1051 3.5921 3.5921 3.9894 3.9894 4.0428 4.0428 4.2996 4.2996 6.9083 6.9083 7.2196 7.2196 7.8333 7.8333 8.0225 8.0225 8.7211 8.7211 k = 0.2149-0.1436-0.3755 ( 6018 PWs) bands (ev): -8.2491 -8.2491 -7.4385 -7.4385 -7.1264 -7.1264 -6.8202 -6.8202 -6.8068 -6.8068 -6.7922 -6.7922 -1.2452 -1.2452 -0.9783 -0.9783 -0.5878 -0.5878 0.3051 0.3051 0.8334 0.8334 1.1161 1.1161 1.7960 1.7960 2.1490 2.1490 2.3273 2.3273 2.6220 2.6220 2.7754 2.7754 2.8777 2.8777 2.9244 2.9244 3.0682 3.0682 3.5906 3.5906 3.9794 3.9794 4.0227 4.0227 4.2832 4.2832 6.8835 6.8835 7.2516 7.2516 7.7557 7.7557 7.9878 7.9878 8.7246 8.7246 k = 0.2251-0.1504-0.3934 ( 6018 PWs) bands (ev): -8.2154 -8.2154 -7.4669 -7.4669 -7.1404 -7.1404 -6.8304 -6.8304 -6.8028 -6.8028 -6.7969 -6.7969 -1.2052 -1.2052 -0.9409 -0.9409 -0.5907 -0.5907 0.2869 0.2869 0.8405 0.8405 1.1333 1.1333 1.7745 1.7745 2.1709 2.1709 2.2454 2.2454 2.7069 2.7069 2.8197 2.8197 2.8345 2.8345 2.9320 2.9320 3.0454 3.0454 3.5892 3.5892 3.9676 3.9676 4.0010 4.0010 4.2653 4.2653 6.8588 6.8588 7.2725 7.2725 7.6845 7.6845 7.9530 7.9530 8.7311 8.7311 k = 0.2354-0.1573-0.4113 ( 6020 PWs) bands (ev): -8.1805 -8.1805 -7.4952 -7.4952 -7.1545 -7.1545 -6.8440 -6.8440 -6.8135 -6.8135 -6.7838 -6.7838 -1.1645 -1.1645 -0.9020 -0.9020 -0.5896 -0.5896 0.2634 0.2634 0.8382 0.8382 1.1525 1.1525 1.7682 1.7682 2.1628 2.1628 2.1845 2.1845 2.7682 2.7682 2.8002 2.8002 2.8828 2.8828 2.9170 2.9170 3.0475 3.0475 3.5881 3.5881 3.9539 3.9539 3.9780 3.9780 4.2462 4.2462 6.8352 6.8352 7.2829 7.2829 7.6204 7.6204 7.9192 7.9192 8.7397 8.7397 k = 0.2456-0.1641-0.4292 ( 6016 PWs) bands (ev): -8.1447 -8.1447 -7.5232 -7.5232 -7.1686 -7.1686 -6.8581 -6.8581 -6.8243 -6.8243 -6.7705 -6.7705 -1.1234 -1.1234 -0.8618 -0.8618 -0.5844 -0.5844 0.2332 0.2332 0.8298 0.8298 1.1733 1.1733 1.7716 1.7716 2.0941 2.0941 2.1814 2.1814 2.7261 2.7261 2.8766 2.8766 2.8830 2.8830 2.9433 2.9433 3.0661 3.0661 3.5874 3.5874 3.9381 3.9381 3.9541 3.9541 4.2265 4.2265 6.8135 6.8135 7.2838 7.2838 7.5635 7.5635 7.8874 7.8874 8.7495 8.7495 k = 0.2558-0.1709-0.4471 ( 6012 PWs) bands (ev): -8.1080 -8.1080 -7.5509 -7.5509 -7.1828 -7.1828 -6.8725 -6.8725 -6.8350 -6.8350 -6.7572 -6.7572 -1.0822 -1.0822 -0.8203 -0.8203 -0.5748 -0.5748 0.1953 0.1953 0.8194 0.8194 1.1956 1.1956 1.7744 1.7744 2.0369 2.0369 2.1736 2.1736 2.6815 2.6815 2.8413 2.8413 2.9591 2.9591 3.0009 3.0009 3.0893 3.0893 3.5877 3.5877 3.9202 3.9202 3.9299 3.9299 4.2066 4.2066 6.7946 6.7946 7.2764 7.2764 7.5142 7.5142 7.8582 7.8582 8.7596 8.7596 k = 0.2661-0.1778-0.4650 ( 6010 PWs) bands (ev): -8.0704 -8.0704 -7.5782 -7.5782 -7.1970 -7.1970 -6.8870 -6.8870 -6.8457 -6.8457 -6.7441 -6.7441 -1.0414 -1.0414 -0.7778 -0.7778 -0.5606 -0.5606 0.1496 0.1496 0.8102 0.8102 1.2193 1.2193 1.7616 1.7616 2.0038 2.0038 2.1613 2.1613 2.6409 2.6409 2.7981 2.7981 3.0375 3.0375 3.0513 3.0513 3.1158 3.1158 3.5892 3.5892 3.9003 3.9003 3.9058 3.9058 4.1868 4.1868 6.7796 6.7796 7.2623 7.2623 7.4725 7.4725 7.8317 7.8317 8.7695 8.7695 k = 0.2763-0.1846-0.4828 ( 6020 PWs) bands (ev): -8.0322 -8.0322 -7.6049 -7.6049 -7.2110 -7.2110 -6.9015 -6.9015 -6.8562 -6.8562 -6.7313 -6.7313 -1.0013 -1.0013 -0.7344 -0.7344 -0.5416 -0.5416 0.0970 0.0970 0.8045 0.8045 1.2440 1.2440 1.7248 1.7248 1.9984 1.9984 2.1462 2.1462 2.6066 2.6066 2.7535 2.7535 3.0804 3.0804 3.1154 3.1154 3.1516 3.1516 3.5926 3.5926 3.8786 3.8786 3.8821 3.8821 4.1678 4.1678 6.7694 6.7694 7.2434 7.2434 7.4383 7.4383 7.8079 7.8079 8.7785 8.7785 k = 0.2866-0.1915-0.5007 ( 6022 PWs) bands (ev): -7.9933 -7.9933 -7.6309 -7.6309 -7.2249 -7.2249 -6.9161 -6.9161 -6.8667 -6.8667 -6.7190 -6.7190 -0.9624 -0.9624 -0.6906 -0.6906 -0.5176 -0.5176 0.0388 0.0388 0.8028 0.8028 1.2696 1.2696 1.6714 1.6714 2.0089 2.0089 2.1297 2.1297 2.5814 2.5814 2.7082 2.7082 3.0919 3.0919 3.1843 3.1843 3.1974 3.1974 3.5983 3.5983 3.8558 3.8558 3.8583 3.8583 4.1499 4.1499 6.7651 6.7651 7.2215 7.2215 7.4116 7.4116 7.7865 7.7865 8.7865 8.7865 k = 0.2968-0.1983-0.5186 ( 6020 PWs) bands (ev): -7.9540 -7.9540 -7.6563 -7.6563 -7.2385 -7.2385 -6.9306 -6.9306 -6.8769 -6.8769 -6.7072 -6.7072 -0.9251 -0.9251 -0.6469 -0.6469 -0.4883 -0.4883 -0.0228 -0.0228 0.8050 0.8050 1.2956 1.2956 1.6112 1.6112 2.0205 2.0205 2.1128 2.1128 2.5684 2.5684 2.6623 2.6623 3.0911 3.0911 3.2278 3.2278 3.2622 3.2622 3.6064 3.6064 3.8312 3.8312 3.8357 3.8357 4.1337 4.1337 6.7676 6.7676 7.1981 7.1981 7.3918 7.3918 7.7670 7.7670 8.7933 8.7933 k = 0.3070-0.2051-0.5365 ( 6018 PWs) bands (ev): -7.9143 -7.9143 -7.6808 -7.6808 -7.2519 -7.2519 -6.9450 -6.9450 -6.8870 -6.8870 -6.6960 -6.6960 -0.8896 -0.8896 -0.6044 -0.6044 -0.4538 -0.4538 -0.0853 -0.0853 0.8102 0.8102 1.3217 1.3217 1.5501 1.5501 2.0241 2.0241 2.0959 2.0959 2.5701 2.5701 2.6160 2.6160 3.0815 3.0815 3.2586 3.2586 3.3284 3.3284 3.6166 3.6166 3.8046 3.8046 3.8147 3.8147 4.1196 4.1196 6.7776 6.7776 7.1748 7.1748 7.3787 7.3787 7.7490 7.7490 8.7992 8.7992 k = 0.3173-0.2120-0.5544 ( 6020 PWs) bands (ev): -7.8745 -7.8745 -7.7043 -7.7043 -7.2649 -7.2649 -6.9592 -6.9592 -6.8968 -6.8968 -6.6856 -6.6856 -0.8561 -0.8561 -0.5649 -0.5649 -0.4142 -0.4142 -0.1453 -0.1453 0.8173 0.8173 1.3472 1.3472 1.4912 1.4912 2.0160 2.0160 2.0792 2.0792 2.5675 2.5675 2.5890 2.5890 3.0652 3.0652 3.2802 3.2802 3.3911 3.3911 3.6275 3.6275 3.7767 3.7767 3.7951 3.7951 4.1079 4.1079 6.7958 6.7958 7.1527 7.1527 7.3716 7.3716 7.7319 7.7319 8.8043 8.8043 k = 0.3275-0.2188-0.5723 ( 6020 PWs) bands (ev): -7.8348 -7.8348 -7.7266 -7.7266 -7.2775 -7.2775 -6.9733 -6.9733 -6.9063 -6.9063 -6.6759 -6.6759 -0.8247 -0.8247 -0.5323 -0.5323 -0.3695 -0.3695 -0.1978 -0.1978 0.8249 0.8249 1.3712 1.3712 1.4370 1.4370 1.9964 1.9964 2.0629 2.0629 2.5208 2.5208 2.6187 2.6187 3.0439 3.0439 3.2933 3.2933 3.4494 3.4494 3.6370 3.6370 3.7479 3.7479 3.7769 3.7769 4.0989 4.0989 6.8227 6.8227 7.1330 7.1330 7.3699 7.3699 7.7153 7.7153 8.8090 8.8090 k = 0.3377-0.2256-0.5901 ( 6020 PWs) bands (ev): -7.7963 -7.7963 -7.7467 -7.7467 -7.2896 -7.2896 -6.9873 -6.9873 -6.9155 -6.9155 -6.6671 -6.6671 -0.7953 -0.7953 -0.5141 -0.5141 -0.3203 -0.3203 -0.2346 -0.2346 0.8315 0.8315 1.3795 1.3795 1.4025 1.4025 1.9671 1.9671 2.0476 2.0476 2.4731 2.4731 2.6587 2.6587 3.0190 3.0190 3.2992 3.2992 3.5027 3.5027 3.6428 3.6428 3.7191 3.7191 3.7608 3.7608 4.0924 4.0924 6.8585 6.8585 7.1163 7.1163 7.3731 7.3731 7.6987 7.6987 8.8141 8.8141 k = 0.3480-0.2325-0.6080 ( 6022 PWs) bands (ev): -7.7768 -7.7768 -7.7470 -7.7470 -7.3013 -7.3013 -7.0011 -7.0011 -6.9243 -6.9243 -6.6591 -6.6591 -0.7677 -0.7677 -0.5193 -0.5193 -0.2670 -0.2670 -0.2456 -0.2456 0.8354 0.8354 1.3421 1.3421 1.4184 1.4184 1.9305 1.9305 2.0338 2.0338 2.4254 2.4254 2.7044 2.7044 2.9924 2.9924 3.2990 3.2990 3.5495 3.5495 3.6431 3.6431 3.6917 3.6917 3.7468 3.7468 4.0885 4.0885 6.9031 6.9031 7.1032 7.1032 7.3804 7.3804 7.6818 7.6818 8.8202 8.8202 k = 0.3582-0.2393-0.6259 ( 6016 PWs) bands (ev): -7.7921 -7.7921 -7.7116 -7.7116 -7.3124 -7.3124 -7.0146 -7.0146 -6.9327 -6.9327 -6.6521 -6.6521 -0.7419 -0.7419 -0.5483 -0.5483 -0.2308 -0.2308 -0.2094 -0.2094 0.8352 0.8352 1.3088 1.3088 1.4354 1.4354 1.8890 1.8890 2.0216 2.0216 2.3782 2.3782 2.7527 2.7527 2.9655 2.9655 3.2940 3.2940 3.5845 3.5845 3.6380 3.6380 3.6708 3.6708 3.7346 3.7346 4.0869 4.0869 6.9560 6.9560 7.0942 7.0942 7.3913 7.3913 7.6641 7.6641 8.8280 8.8280 k = 0.3684-0.2462-0.6438 ( 6016 PWs) bands (ev): -7.8099 -7.8099 -7.6731 -7.6731 -7.3230 -7.3230 -7.0280 -7.0280 -6.9407 -6.9407 -6.6461 -6.6461 -0.7176 -0.7176 -0.5915 -0.5915 -0.1981 -0.1981 -0.1491 -0.1491 0.8297 0.8297 1.2842 1.2842 1.4485 1.4485 1.8445 1.8445 2.0110 2.0110 2.3321 2.3321 2.8010 2.8010 2.9398 2.9398 3.2849 3.2849 3.5923 3.5923 3.6271 3.6271 3.6736 3.6736 3.7229 3.7229 4.0872 4.0872 7.0162 7.0162 7.0893 7.0893 7.4056 7.4056 7.6455 7.6455 8.8384 8.8384 k = 0.6316 0.0211-0.4598 ( 6016 PWs) bands (ev): -7.8099 -7.8099 -7.6731 -7.6731 -7.3230 -7.3230 -7.0280 -7.0280 -6.9407 -6.9407 -6.6461 -6.6461 -0.7176 -0.7176 -0.5915 -0.5915 -0.1981 -0.1981 -0.1491 -0.1491 0.8297 0.8297 1.2842 1.2842 1.4485 1.4485 1.8445 1.8445 2.0110 2.0110 2.3321 2.3321 2.8010 2.8010 2.9398 2.9398 3.2849 3.2849 3.5923 3.5923 3.6271 3.6271 3.6736 3.6736 3.7229 3.7229 4.0872 4.0872 7.0162 7.0162 7.0893 7.0893 7.4056 7.4056 7.6455 7.6455 8.8384 8.8384 k = 0.6215 0.0400-0.4598 ( 6010 PWs) bands (ev): -7.8267 -7.8267 -7.6353 -7.6353 -7.3328 -7.3328 -7.0411 -7.0411 -6.9482 -6.9482 -6.6410 -6.6410 -0.6951 -0.6951 -0.6397 -0.6397 -0.1572 -0.1572 -0.0867 -0.0867 0.8187 0.8187 1.2688 1.2688 1.4561 1.4561 1.7990 1.7990 2.0019 2.0019 2.2886 2.2886 2.8469 2.8469 2.9168 2.9168 3.2727 3.2727 3.5760 3.5760 3.6122 3.6122 3.6939 3.6939 3.7146 3.7146 4.0890 4.0890 7.0806 7.0806 7.0898 7.0898 7.4231 7.4231 7.6260 7.6260 8.8518 8.8518 k = 0.6113 0.0590-0.4598 ( 6008 PWs) bands (ev): -7.8424 -7.8424 -7.5982 -7.5982 -7.3419 -7.3419 -7.0540 -7.0540 -6.9551 -6.9551 -6.6369 -6.6369 -0.6890 -0.6890 -0.6739 -0.6739 -0.1122 -0.1122 -0.0220 -0.0220 0.8028 0.8028 1.2613 1.2613 1.4571 1.4571 1.7533 1.7533 1.9940 1.9940 2.2481 2.2481 2.8886 2.8886 2.8981 2.8981 3.2578 3.2578 3.5529 3.5529 3.5967 3.5967 3.6877 3.6877 3.7339 3.7339 4.0918 4.0918 7.0918 7.0918 7.1509 7.1509 7.4450 7.4450 7.6055 7.6055 8.8686 8.8686 k = 0.6012 0.0779-0.4598 ( 6010 PWs) bands (ev): -7.8569 -7.8569 -7.5620 -7.5620 -7.3504 -7.3504 -7.0668 -7.0668 -6.9616 -6.9616 -6.6337 -6.6337 -0.7367 -0.7367 -0.6543 -0.6543 -0.0654 -0.0654 0.0444 0.0444 0.7832 0.7832 1.2598 1.2598 1.4505 1.4505 1.7085 1.7085 1.9873 1.9873 2.2117 2.2117 2.8813 2.8813 2.9283 2.9283 3.2405 3.2405 3.5296 3.5296 3.5816 3.5816 3.6692 3.6692 3.7611 3.7611 4.0951 4.0951 7.0992 7.0992 7.2192 7.2192 7.4736 7.4736 7.5839 7.5839 8.8890 8.8890 k = 0.5911 0.0968-0.4598 ( 6000 PWs) bands (ev): -7.8702 -7.8702 -7.5270 -7.5270 -7.3582 -7.3582 -7.0795 -7.0795 -6.9675 -6.9675 -6.6313 -6.6313 -0.7816 -0.7816 -0.6361 -0.6361 -0.0184 -0.0184 0.1123 0.1123 0.7617 0.7617 1.2618 1.2618 1.4354 1.4354 1.6658 1.6658 1.9819 1.9819 2.1799 2.1799 2.8708 2.8708 2.9613 2.9613 3.2212 3.2212 3.5083 3.5083 3.5674 3.5674 3.6473 3.6473 3.7864 3.7864 4.0988 4.0988 7.1101 7.1101 7.2812 7.2812 7.5133 7.5133 7.5613 7.5613 8.9129 8.9129 k = 0.5810 0.1158-0.4598 ( 5996 PWs) bands (ev): -7.8822 -7.8822 -7.4934 -7.4934 -7.3652 -7.3652 -7.0921 -7.0921 -6.9729 -6.9729 -6.6296 -6.6296 -0.8230 -0.8230 -0.6195 -0.6195 0.0278 0.0278 0.1810 0.1810 0.7396 0.7396 1.2652 1.2652 1.4115 1.4115 1.6264 1.6264 1.9780 1.9780 2.1529 2.1529 2.8655 2.8655 2.9884 2.9884 3.2003 3.2003 3.4900 3.4900 3.5544 3.5544 3.6234 3.6234 3.8089 3.8089 4.1024 4.1024 7.1241 7.1241 7.3306 7.3306 7.5379 7.5379 7.5685 7.5685 8.9399 8.9399 k = 0.5708 0.1347-0.4598 ( 6000 PWs) bands (ev): -7.8928 -7.8928 -7.4616 -7.4616 -7.3714 -7.3714 -7.1047 -7.1047 -6.9777 -6.9777 -6.6286 -6.6286 -0.8604 -0.8604 -0.6045 -0.6045 0.0722 0.0722 0.2499 0.2499 0.7183 0.7183 1.2675 1.2675 1.3792 1.3792 1.5919 1.5919 1.9760 1.9760 2.1301 2.1301 2.8658 2.8658 3.0095 3.0095 3.1780 3.1780 3.4753 3.4753 3.5429 3.5429 3.5985 3.5985 3.8286 3.8286 4.1058 4.1058 7.1409 7.1409 7.3657 7.3657 7.5140 7.5140 7.6392 7.6392 8.9697 8.9697 k = 0.5607 0.1537-0.4598 ( 6010 PWs) bands (ev): -7.9021 -7.9021 -7.4317 -7.4317 -7.3769 -7.3769 -7.1172 -7.1172 -6.9818 -6.9818 -6.6281 -6.6281 -0.8933 -0.8933 -0.5912 -0.5912 0.1139 0.1139 0.3181 0.3181 0.6989 0.6989 1.2670 1.2670 1.3399 1.3399 1.5634 1.5634 1.9764 1.9764 2.1106 2.1106 2.8714 2.8714 3.0245 3.0245 3.1546 3.1546 3.4645 3.4645 3.5329 3.5329 3.5737 3.5737 3.8454 3.8454 4.1088 4.1088 7.1599 7.1599 7.3895 7.3895 7.4898 7.4898 7.7202 7.7202 9.0014 9.0014 k = 0.5506 0.1726-0.4598 ( 6016 PWs) bands (ev): -7.9099 -7.9099 -7.4041 -7.4041 -7.3815 -7.3815 -7.1295 -7.1295 -6.9854 -6.9854 -6.6280 -6.6280 -0.9216 -0.9216 -0.5798 -0.5798 0.1517 0.1517 0.3847 0.3847 0.6819 0.6819 1.2626 1.2626 1.2956 1.2956 1.5420 1.5420 1.9792 1.9792 2.0935 2.0935 2.8822 2.8822 3.0342 3.0342 3.1303 3.1303 3.4572 3.4572 3.5243 3.5243 3.5504 3.5504 3.8594 3.8594 4.1115 4.1115 7.1805 7.1805 7.4058 7.4058 7.4656 7.4656 7.8050 7.8050 9.0340 9.0340 k = 0.5405 0.1915-0.4598 ( 6012 PWs) bands (ev): -7.9164 -7.9164 -7.3854 -7.3854 -7.3794 -7.3794 -7.1413 -7.1413 -6.9884 -6.9884 -6.6281 -6.6281 -0.9449 -0.9449 -0.5703 -0.5703 0.1847 0.1847 0.4479 0.4479 0.6679 0.6679 1.2479 1.2479 1.2556 1.2556 1.5275 1.5275 1.9843 1.9843 2.0779 2.0779 2.8976 2.8976 3.0393 3.0393 3.1055 3.1055 3.4528 3.4528 3.5165 3.5165 3.5302 3.5302 3.8708 3.8708 4.1137 4.1137 7.2019 7.2019 7.4169 7.4169 7.4419 7.4419 7.8879 7.8879 9.0659 9.0659 k = 0.5304 0.2105-0.4598 ( 6026 PWs) bands (ev): -7.9214 -7.9214 -7.3884 -7.3884 -7.3582 -7.3582 -7.1523 -7.1523 -6.9907 -6.9907 -6.6284 -6.6284 -0.9632 -0.9632 -0.5628 -0.5628 0.2118 0.2118 0.5053 0.5053 0.6572 0.6572 1.2028 1.2028 1.2452 1.2452 1.5188 1.5188 1.9916 1.9916 2.0633 2.0633 2.9169 2.9169 3.0401 3.0401 3.0812 3.0812 3.4506 3.4506 3.5066 3.5066 3.5171 3.5171 3.8796 3.8796 4.1154 4.1154 7.2233 7.2233 7.4166 7.4166 7.4272 7.4272 7.9631 7.9631 9.0950 9.0950 k = 0.5202 0.2294-0.4598 ( 6022 PWs) bands (ev): -7.9251 -7.9251 -7.3905 -7.3905 -7.3414 -7.3414 -7.1616 -7.1616 -6.9923 -6.9923 -6.6287 -6.6287 -0.9764 -0.9764 -0.5574 -0.5574 0.2320 0.2320 0.5529 0.5529 0.6496 0.6496 1.1629 1.1629 1.2358 1.2358 1.5142 1.5142 2.0007 2.0007 2.0493 2.0493 2.9392 2.9392 3.0342 3.0342 3.0614 3.0614 3.4498 3.4498 3.4948 3.4948 3.5116 3.5116 3.8858 3.8858 4.1166 4.1166 7.2431 7.2431 7.3970 7.3970 7.4313 7.4313 8.0242 8.0242 9.1189 9.1189 k = 0.5101 0.2483-0.4598 ( 6022 PWs) bands (ev): -7.9272 -7.9272 -7.3918 -7.3918 -7.3304 -7.3304 -7.1680 -7.1680 -6.9933 -6.9933 -6.6289 -6.6289 -0.9843 -0.9843 -0.5541 -0.5541 0.2444 0.2444 0.5855 0.5855 0.6452 0.6452 1.1348 1.1348 1.2291 1.2291 1.5121 1.5121 2.0113 2.0113 2.0359 2.0359 2.9632 2.9632 3.0161 3.0161 3.0532 3.0532 3.4496 3.4496 3.4867 3.4867 3.5090 3.5090 3.8896 3.8896 4.1174 4.1174 7.2585 7.2585 7.3814 7.3814 7.4342 7.4342 8.0647 8.0647 9.1347 9.1347 k = 0.5000 0.2673-0.4598 ( 6032 PWs) bands (ev): -7.9280 -7.9280 -7.3922 -7.3922 -7.3265 -7.3265 -7.1703 -7.1703 -6.9936 -6.9936 -6.6290 -6.6290 -0.9869 -0.9869 -0.5530 -0.5530 0.2486 0.2486 0.5973 0.5973 0.6437 0.6437 1.1245 1.1245 1.2267 1.2267 1.5115 1.5115 2.0229 2.0229 2.0234 2.0234 2.9822 2.9822 2.9979 2.9979 3.0517 3.0517 3.4496 3.4496 3.4839 3.4839 3.5082 3.5082 3.8908 3.8908 4.1176 4.1176 7.2646 7.2646 7.3751 7.3751 7.4352 7.4352 8.0790 8.0790 9.1402 9.1402 k = 0.5000 0.2673-0.4598 ( 6032 PWs) bands (ev): -7.9280 -7.9280 -7.3922 -7.3922 -7.3265 -7.3265 -7.1703 -7.1703 -6.9936 -6.9936 -6.6290 -6.6290 -0.9869 -0.9869 -0.5530 -0.5530 0.2486 0.2486 0.5973 0.5973 0.6437 0.6437 1.1245 1.1245 1.2267 1.2267 1.5115 1.5115 2.0229 2.0229 2.0234 2.0234 2.9822 2.9822 2.9979 2.9979 3.0517 3.0517 3.4496 3.4496 3.4839 3.4839 3.5082 3.5082 3.8908 3.8908 4.1176 4.1176 7.2646 7.2646 7.3751 7.3751 7.4352 7.4352 8.0790 8.0790 9.1402 9.1402 k = 0.5120 0.2737-0.4431 ( 6018 PWs) bands (ev): -7.9272 -7.9272 -7.3918 -7.3918 -7.3314 -7.3314 -7.1698 -7.1698 -6.9899 -6.9899 -6.6293 -6.6293 -0.9874 -0.9874 -0.5501 -0.5501 0.2452 0.2452 0.5467 0.5467 0.6942 0.6942 1.1203 1.1203 1.2334 1.2334 1.5121 1.5121 2.0235 2.0235 2.0250 2.0250 2.9839 2.9839 2.9956 2.9956 3.0503 3.0503 3.4527 3.4527 3.4835 3.4835 3.5027 3.5027 3.8901 3.8901 4.1164 4.1164 7.2661 7.2661 7.3598 7.3598 7.4530 7.4530 8.0761 8.0761 9.1373 9.1373 k = 0.5239 0.2801-0.4264 ( 6014 PWs) bands (ev): -7.9248 -7.9248 -7.3903 -7.3903 -7.3455 -7.3455 -7.1684 -7.1684 -6.9795 -6.9795 -6.6304 -6.6304 -0.9886 -0.9886 -0.5414 -0.5414 0.2348 0.2348 0.4788 0.4788 0.7617 0.7617 1.1100 1.1100 1.2509 1.2509 1.5141 1.5141 2.0255 2.0255 2.0295 2.0295 2.9867 2.9867 2.9911 2.9911 3.0458 3.0458 3.4609 3.4609 3.4809 3.4809 3.4893 3.4893 3.8875 3.8875 4.1128 4.1128 7.2702 7.2702 7.3325 7.3325 7.4878 7.4878 8.0677 8.0677 9.1306 9.1306 k = 0.5359 0.2864-0.4097 ( 6009 PWs) bands (ev): -7.9209 -7.9209 -7.3879 -7.3879 -7.3671 -7.3671 -7.1659 -7.1659 -6.9640 -6.9640 -6.6321 -6.6321 -0.9906 -0.9906 -0.5270 -0.5270 0.2173 0.2173 0.4110 0.4110 0.8294 0.8294 1.0971 1.0971 1.2752 1.2752 1.5180 1.5180 2.0288 2.0288 2.0368 2.0368 2.9767 2.9767 2.9983 2.9983 3.0374 3.0374 3.4595 3.4595 3.4725 3.4725 3.4888 3.4888 3.8821 3.8821 4.1065 4.1065 7.2765 7.2765 7.3040 7.3040 7.5289 7.5289 8.0543 8.0543 9.1241 9.1241 k = 0.5478 0.2928-0.3930 ( 6011 PWs) bands (ev): -7.9154 -7.9154 -7.3946 -7.3946 -7.3846 -7.3846 -7.1625 -7.1625 -6.9450 -6.9450 -6.6344 -6.6344 -0.9932 -0.9932 -0.5070 -0.5070 0.1919 0.1919 0.3453 0.3453 0.8959 0.8959 1.0834 1.0834 1.3035 1.3035 1.5249 1.5249 2.0329 2.0329 2.0467 2.0467 2.9623 2.9623 3.0062 3.0062 3.0265 3.0265 3.4347 3.4347 3.4724 3.4724 3.5043 3.5043 3.8730 3.8730 4.0970 4.0970 7.2732 7.2732 7.2870 7.2870 7.5742 7.5742 8.0371 8.0371 9.1214 9.1214 k = 0.5598 0.2992-0.3762 ( 6017 PWs) bands (ev): -7.9083 -7.9083 -7.4263 -7.4263 -7.3803 -7.3803 -7.1582 -7.1582 -6.9240 -6.9240 -6.6374 -6.6374 -0.9960 -0.9960 -0.4816 -0.4816 0.1575 0.1575 0.2835 0.2835 0.9608 0.9608 1.0694 1.0694 1.3341 1.3341 1.5360 1.5360 2.0376 2.0376 2.0591 2.0591 2.9457 2.9457 2.9907 2.9907 3.0332 3.0332 3.4110 3.4110 3.4687 3.4687 3.5271 3.5271 3.8593 3.8593 4.0841 4.0841 7.2462 7.2462 7.2952 7.2952 7.6232 7.6232 8.0174 8.0174 9.1253 9.1253 k = 0.5718 0.3056-0.3595 ( 6025 PWs) bands (ev): -7.8997 -7.8997 -7.4613 -7.4613 -7.3751 -7.3751 -7.1529 -7.1529 -6.9022 -6.9022 -6.6410 -6.6410 -0.9989 -0.9989 -0.4509 -0.4509 0.1131 0.1131 0.2272 0.2272 1.0228 1.0228 1.0557 1.0557 1.3656 1.3656 1.5526 1.5526 2.0425 2.0425 2.0738 2.0738 2.9271 2.9271 2.9551 2.9551 3.0521 3.0521 3.3939 3.3939 3.4634 3.4634 3.5533 3.5533 3.8405 3.8405 4.0674 4.0674 7.2190 7.2190 7.3040 7.3040 7.6752 7.6752 7.9968 7.9968 9.1372 9.1372 k = 0.5837 0.3120-0.3428 ( 6028 PWs) bands (ev): -7.8896 -7.8896 -7.4985 -7.4985 -7.3690 -7.3690 -7.1466 -7.1466 -6.8803 -6.8803 -6.6451 -6.6451 -1.0017 -1.0017 -0.4150 -0.4150 0.0597 0.0597 0.1761 0.1761 1.0384 1.0384 1.0851 1.0851 1.3970 1.3970 1.5760 1.5760 2.0474 2.0474 2.0904 2.0904 2.8966 2.8966 2.9175 2.9175 3.0756 3.0756 3.3856 3.3856 3.4570 3.4570 3.5816 3.5816 3.8165 3.8165 4.0470 4.0470 7.1928 7.1928 7.3110 7.3110 7.7295 7.7295 7.9773 7.9773 9.1583 9.1583 k = 0.5957 0.3184-0.3261 ( 6026 PWs) bands (ev): -7.8780 -7.8780 -7.5375 -7.5375 -7.3621 -7.3621 -7.1395 -7.1395 -6.8590 -6.8590 -6.6497 -6.6497 -1.0040 -1.0040 -0.3740 -0.3740 -0.0001 -0.0001 0.1280 0.1280 1.0224 1.0224 1.1421 1.1421 1.4278 1.4278 1.6064 1.6064 2.0521 2.0521 2.1087 2.1087 2.8368 2.8368 2.8980 2.8980 3.1027 3.1027 3.3863 3.3863 3.4496 3.4496 3.6113 3.6113 3.7873 3.7873 4.0230 4.0230 7.1678 7.1678 7.3144 7.3144 7.7855 7.7855 7.9609 7.9609 9.1887 9.1887 k = 0.6077 0.3248-0.3093 ( 6022 PWs) bands (ev): -7.8650 -7.8650 -7.5778 -7.5778 -7.3542 -7.3542 -7.1315 -7.1315 -6.8386 -6.8386 -6.6546 -6.6546 -1.0057 -1.0057 -0.3281 -0.3281 -0.0631 -0.0631 0.0803 0.0803 1.0045 1.0045 1.1960 1.1960 1.4585 1.4585 1.6429 1.6429 2.0568 2.0568 2.1281 2.1281 2.7650 2.7650 2.8829 2.8829 3.1330 3.1330 3.3941 3.3941 3.4413 3.4413 3.6417 3.6417 3.7531 3.7531 3.9959 3.9959 7.1445 7.1445 7.3126 7.3126 7.8423 7.8423 7.9494 7.9494 9.2283 9.2283 k = 0.6196 0.3312-0.2926 ( 6020 PWs) bands (ev): -7.8505 -7.8505 -7.6190 -7.6190 -7.3456 -7.3456 -7.1226 -7.1226 -6.8196 -6.8196 -6.6598 -6.6598 -1.0065 -1.0065 -0.2774 -0.2774 -0.1275 -0.1275 0.0318 0.0318 0.9851 0.9851 1.2462 1.2462 1.4899 1.4899 1.6836 1.6836 2.0622 2.0622 2.1481 2.1481 2.6868 2.6868 2.8701 2.8701 3.1664 3.1664 3.4067 3.4067 3.4325 3.4325 3.6718 3.6718 3.7150 3.7150 3.9661 3.9661 7.1235 7.1235 7.3042 7.3042 7.8993 7.8993 7.9440 7.9440 9.2761 9.2761 k = 0.6316 0.3376-0.2759 ( 6017 PWs) bands (ev): -7.8347 -7.8347 -7.6608 -7.6608 -7.3361 -7.3361 -7.1129 -7.1129 -6.8023 -6.8023 -6.6651 -6.6651 -1.0062 -1.0062 -0.2223 -0.2223 -0.1916 -0.1916 -0.0184 -0.0184 0.9639 0.9639 1.2919 1.2919 1.5228 1.5228 1.7262 1.7262 2.0697 2.0697 2.1678 2.1678 2.6056 2.6056 2.8597 2.8597 3.2023 3.2023 3.4166 3.4166 3.4287 3.4287 3.6692 3.6692 3.7058 3.7058 3.9344 3.9344 7.1050 7.1050 7.2889 7.2889 7.9422 7.9422 7.9588 7.9588 9.3302 9.3302 k = 0.6316 0.3376-0.2759 ( 6017 PWs) bands (ev): -7.8347 -7.8347 -7.6608 -7.6608 -7.3361 -7.3361 -7.1129 -7.1129 -6.8023 -6.8023 -6.6651 -6.6651 -1.0062 -1.0062 -0.2223 -0.2223 -0.1916 -0.1916 -0.0184 -0.0184 0.9639 0.9639 1.2919 1.2919 1.5228 1.5228 1.7262 1.7262 2.0697 2.0697 2.1678 2.1678 2.6056 2.6056 2.8597 2.8597 3.2023 3.2023 3.4166 3.4166 3.4287 3.4287 3.6692 3.6692 3.7058 3.7058 3.9344 3.9344 7.1050 7.1050 7.2889 7.2889 7.9422 7.9422 7.9588 7.9588 9.3302 9.3302 k = 0.6259 0.3345-0.2559 ( 6007 PWs) bands (ev): -7.8265 -7.8265 -7.6854 -7.6854 -7.3303 -7.3303 -7.1067 -7.1067 -6.7943 -6.7943 -6.6652 -6.6652 -0.9954 -0.9954 -0.2510 -0.2510 -0.1825 -0.1825 -0.0088 -0.0088 0.9636 0.9636 1.3221 1.3221 1.5268 1.5268 1.7188 1.7188 2.0643 2.0643 2.1415 2.1415 2.5648 2.5648 2.8787 2.8787 3.2275 3.2275 3.3993 3.3993 3.4352 3.4352 3.6354 3.6354 3.7159 3.7159 3.9140 3.9140 7.1276 7.1276 7.2907 7.2907 7.9586 7.9586 7.9867 7.9867 9.3581 9.3581 k = 0.6201 0.3315-0.2359 ( 6016 PWs) bands (ev): -7.8228 -7.8228 -7.7095 -7.7095 -7.3197 -7.3197 -7.0995 -7.0995 -6.7867 -6.7867 -6.6655 -6.6655 -0.9851 -0.9851 -0.3119 -0.3119 -0.1460 -0.1460 0.0054 0.0054 0.9648 0.9648 1.3508 1.3508 1.5184 1.5184 1.7197 1.7197 2.0620 2.0620 2.1091 2.1091 2.5274 2.5274 2.9005 2.9005 3.2490 3.2490 3.3795 3.3795 3.4505 3.4505 3.6010 3.6010 3.7299 3.7299 3.8898 3.8898 7.1456 7.1456 7.2856 7.2856 7.9849 7.9849 8.0178 8.0178 9.3865 9.3865 k = 0.6144 0.3284-0.2159 ( 6026 PWs) bands (ev): -7.8231 -7.8231 -7.7329 -7.7329 -7.3044 -7.3044 -7.0915 -7.0915 -6.7798 -6.7798 -6.6662 -6.6662 -0.9755 -0.9755 -0.3726 -0.3726 -0.1115 -0.1115 0.0219 0.0219 0.9670 0.9670 1.3769 1.3769 1.4994 1.4994 1.7269 1.7269 2.0582 2.0582 2.0773 2.0773 2.4933 2.4933 2.9226 2.9226 3.2676 3.2676 3.3623 3.3623 3.4704 3.4704 3.5672 3.5672 3.7464 3.7464 3.8635 3.8635 7.1573 7.1573 7.2732 7.2732 8.0212 8.0212 8.0520 8.0520 9.4146 9.4146 k = 0.6087 0.3254-0.1959 ( 6026 PWs) bands (ev): -7.8268 -7.8268 -7.7555 -7.7555 -7.2852 -7.2852 -7.0826 -7.0826 -6.7734 -6.7734 -6.6672 -6.6672 -0.9666 -0.9666 -0.4320 -0.4320 -0.0788 -0.0788 0.0400 0.0400 0.9696 0.9696 1.3990 1.3990 1.4730 1.4730 1.7381 1.7381 2.0218 2.0218 2.0794 2.0794 2.4623 2.4623 2.9415 2.9415 3.2843 3.2843 3.3515 3.3515 3.4917 3.4917 3.5353 3.5353 3.7642 3.7642 3.8370 3.8370 7.1618 7.1618 7.2536 7.2536 8.0656 8.0656 8.0894 8.0894 9.4412 9.4412 k = 0.6030 0.3223-0.1759 ( 6025 PWs) bands (ev): -7.8334 -7.8334 -7.7772 -7.7772 -7.2628 -7.2628 -7.0729 -7.0729 -6.7677 -6.7677 -6.6687 -6.6687 -0.9586 -0.9586 -0.4891 -0.4891 -0.0478 -0.0478 0.0593 0.0593 0.9719 0.9719 1.4153 1.4153 1.4425 1.4425 1.7523 1.7523 1.9743 1.9743 2.0949 2.0949 2.4341 2.4341 2.9536 2.9536 3.2992 3.2992 3.3506 3.3506 3.5044 3.5044 3.5128 3.5128 3.7816 3.7816 3.8143 3.8143 7.1585 7.1585 7.2279 7.2279 8.1156 8.1156 8.1295 8.1295 9.4650 9.4650 k = 0.5973 0.3192-0.1559 ( 6024 PWs) bands (ev): -7.8421 -7.8421 -7.7982 -7.7982 -7.2379 -7.2379 -7.0625 -7.0625 -6.7626 -6.7626 -6.6708 -6.6708 -0.9516 -0.9516 -0.5437 -0.5437 -0.0179 -0.0179 0.0796 0.0796 0.9730 0.9730 1.4035 1.4035 1.4311 1.4311 1.7697 1.7697 1.9231 1.9231 2.1166 2.1166 2.4088 2.4088 2.9562 2.9562 3.3103 3.3103 3.3622 3.3622 3.4841 3.4841 3.5229 3.5229 3.7869 3.7869 3.8103 3.8103 7.1477 7.1477 7.1974 7.1974 8.1662 8.1662 8.1731 8.1731 9.4840 9.4840 k = 0.5915 0.3162-0.1360 ( 6020 PWs) bands (ev): -7.8524 -7.8524 -7.8181 -7.8181 -7.2111 -7.2111 -7.0514 -7.0514 -6.7582 -6.7582 -6.6735 -6.6735 -0.9456 -0.9456 -0.5955 -0.5955 0.0113 0.0113 0.1009 0.1009 0.9726 0.9726 1.3674 1.3674 1.4353 1.4353 1.7908 1.7908 1.8695 1.8695 2.1432 2.1432 2.3864 2.3864 2.9487 2.9487 3.3133 3.3133 3.3865 3.3865 3.4736 3.4736 3.5234 3.5234 3.7815 3.7815 3.8273 3.8273 7.1299 7.1299 7.1632 7.1632 8.2097 8.2097 8.2232 8.2232 9.4760 9.4760 k = 0.5858 0.3131-0.1160 ( 6018 PWs) bands (ev): -7.8636 -7.8636 -7.8371 -7.8371 -7.1830 -7.1830 -7.0395 -7.0395 -6.7545 -6.7545 -6.6769 -6.6769 -0.9407 -0.9407 -0.6441 -0.6441 0.0400 0.0400 0.1229 0.1229 0.9702 0.9702 1.3294 1.3294 1.4338 1.4338 1.8083 1.8083 1.8221 1.8221 2.1736 2.1736 2.3671 2.3671 2.9326 2.9326 3.3040 3.3040 3.4210 3.4210 3.4760 3.4760 3.5143 3.5143 3.7853 3.7853 3.8468 3.8468 7.1060 7.1060 7.1266 7.1266 8.2490 8.2490 8.2716 8.2716 9.4726 9.4726 k = 0.5801 0.3101-0.0960 ( 6014 PWs) bands (ev): -7.8754 -7.8754 -7.8550 -7.8550 -7.1542 -7.1542 -7.0271 -7.0271 -6.7516 -6.7516 -6.6811 -6.6811 -0.9370 -0.9370 -0.6894 -0.6894 0.0689 0.0689 0.1457 0.1457 0.9660 0.9660 1.2909 1.2909 1.4256 1.4256 1.7552 1.7552 1.8488 1.8488 2.2068 2.2068 2.3510 2.3510 2.9102 2.9102 3.2840 3.2840 3.4537 3.4537 3.4782 3.4782 3.5180 3.5180 3.7985 3.7985 3.8663 3.8663 7.0771 7.0771 7.0885 7.0885 8.2840 8.2840 8.3133 8.3133 9.4778 9.4778 k = 0.5744 0.3070-0.0760 ( 6018 PWs) bands (ev): -7.8873 -7.8873 -7.8719 -7.8719 -7.1250 -7.1250 -7.0141 -7.0141 -6.7494 -6.7494 -6.6860 -6.6860 -0.9345 -0.9345 -0.7314 -0.7314 0.0980 0.0980 0.1692 0.1692 0.9601 0.9601 1.2526 1.2526 1.4111 1.4111 1.6969 1.6969 1.8844 1.8844 2.2421 2.2421 2.3385 2.3385 2.8839 2.8839 3.2572 3.2572 3.4308 3.4308 3.5179 3.5179 3.5469 3.5469 3.8177 3.8177 3.8854 3.8854 7.0440 7.0440 7.0501 7.0501 8.3128 8.3128 8.3456 8.3456 9.4929 9.4929 k = 0.5686 0.3040-0.0560 ( 6026 PWs) bands (ev): -7.8992 -7.8992 -7.8876 -7.8876 -7.0959 -7.0959 -7.0006 -7.0006 -6.7481 -6.7481 -6.6918 -6.6918 -0.9334 -0.9334 -0.7699 -0.7699 0.1278 0.1278 0.1933 0.1933 0.9532 0.9532 1.2151 1.2151 1.3906 1.3906 1.6375 1.6375 1.9248 1.9248 2.2789 2.2789 2.3295 2.3295 2.8555 2.8555 3.2269 3.2269 3.3901 3.3901 3.5692 3.5692 3.5863 3.5863 3.8398 3.8398 3.9038 3.9038 7.0074 7.0074 7.0126 7.0126 8.3338 8.3338 8.3667 8.3667 9.5191 9.5191 k = 0.5629 0.3009-0.0360 ( 6039 PWs) bands (ev): -7.9108 -7.9108 -7.9022 -7.9022 -7.0671 -7.0671 -6.9866 -6.9866 -6.7477 -6.7477 -6.6984 -6.6984 -0.9334 -0.9334 -0.8048 -0.8048 0.1583 0.1583 0.2179 0.2179 0.9460 0.9460 1.1787 1.1787 1.3653 1.3653 1.5773 1.5773 1.9691 1.9691 2.3140 2.3140 2.3267 2.3267 2.8263 2.8263 3.1944 3.1944 3.3440 3.3440 3.6218 3.6218 3.6317 3.6317 3.8629 3.8629 3.9213 3.9213 6.9693 6.9693 6.9755 6.9755 8.3460 8.3460 8.3760 8.3760 9.5556 9.5556 k = 0.5572 0.2978-0.0160 ( 6033 PWs) bands (ev): -7.9218 -7.9218 -7.9156 -7.9156 -7.0389 -7.0389 -6.9723 -6.9723 -6.7483 -6.7483 -6.7058 -6.7058 -0.9347 -0.9347 -0.8361 -0.8361 0.1896 0.1896 0.2428 0.2428 0.9393 0.9393 1.1437 1.1437 1.3359 1.3359 1.5167 1.5167 2.0164 2.0164 2.3187 2.3187 2.3583 2.3583 2.7974 2.7974 3.1605 3.1605 3.2948 3.2948 3.6727 3.6727 3.6820 3.6820 3.8859 3.8859 3.9377 3.9377 6.9318 6.9318 6.9385 6.9385 8.3490 8.3490 8.3744 8.3744 9.5910 9.5910 k = 0.5515 0.2948 0.0040 ( 6019 PWs) bands (ev): -7.9321 -7.9321 -7.9278 -7.9278 -7.0115 -7.0115 -6.9576 -6.9576 -6.7499 -6.7499 -6.7141 -6.7141 -0.9370 -0.9370 -0.8638 -0.8638 0.2215 0.2215 0.2678 0.2678 0.9338 0.9338 1.1106 1.1106 1.3037 1.3037 1.4561 1.4561 2.0660 2.0660 2.3188 2.3188 2.3980 2.3980 2.7697 2.7697 3.1256 3.1256 3.2434 3.2434 3.7219 3.7219 3.7339 3.7339 3.9079 3.9079 3.9530 3.9530 6.8956 6.8956 6.9021 6.9021 8.3435 8.3435 8.3635 8.3635 9.6289 9.6289 k = 0.5458 0.2917 0.0240 ( 6028 PWs) bands (ev): -7.9417 -7.9417 -7.9387 -7.9387 -6.9851 -6.9851 -6.9426 -6.9426 -6.7526 -6.7526 -6.7232 -6.7232 -0.9403 -0.9403 -0.8881 -0.8881 0.2538 0.2538 0.2928 0.2928 0.9302 0.9302 1.0797 1.0797 1.2695 1.2695 1.3957 1.3957 2.1166 2.1166 2.3209 2.3209 2.4388 2.4388 2.7441 2.7441 3.0898 3.0898 3.1907 3.1907 3.7700 3.7700 3.7842 3.7842 3.9288 3.9288 3.9670 3.9670 6.8614 6.8614 6.8671 6.8671 8.3310 8.3310 8.3458 8.3458 9.6753 9.6753 k = 0.5400 0.2887 0.0440 ( 6028 PWs) bands (ev): -7.9504 -7.9504 -7.9484 -7.9484 -6.9597 -6.9597 -6.9274 -6.9274 -6.7565 -6.7565 -6.7331 -6.7331 -0.9443 -0.9443 -0.9088 -0.9088 0.2861 0.2861 0.3174 0.3174 0.9291 0.9291 1.0516 1.0516 1.2342 1.2342 1.3362 1.3362 2.1672 2.1672 2.3250 2.3250 2.4801 2.4801 2.7214 2.7214 3.0530 3.0530 3.1370 3.1370 3.8160 3.8160 3.8312 3.8312 3.9482 3.9482 3.9797 3.9797 6.8297 6.8297 6.8343 6.8343 8.3134 8.3134 8.3236 8.3236 9.7296 9.7296 k = 0.5343 0.2856 0.0640 ( 6038 PWs) bands (ev): -7.9580 -7.9580 -7.9568 -7.9568 -6.9356 -6.9356 -6.9121 -6.9121 -6.7616 -6.7616 -6.7438 -6.7438 -0.9487 -0.9487 -0.9261 -0.9261 0.3177 0.3177 0.3413 0.3413 0.9308 0.9308 1.0269 1.0269 1.1988 1.1988 1.2782 1.2782 2.2161 2.2161 2.3306 2.3306 2.5218 2.5218 2.7030 2.7030 3.0155 3.0155 3.0827 3.0827 3.8588 3.8588 3.8734 3.8734 3.9662 3.9662 3.9912 3.9912 6.8008 6.8008 6.8044 6.8044 8.2929 8.2929 8.2995 8.2995 9.7903 9.7903 k = 0.5286 0.2826 0.0840 ( 6041 PWs) bands (ev): -7.9646 -7.9646 -7.9640 -7.9640 -6.9129 -6.9129 -6.8967 -6.8967 -6.7680 -6.7680 -6.7552 -6.7552 -0.9535 -0.9535 -0.9402 -0.9402 0.3477 0.3477 0.3639 0.3639 0.9358 0.9358 1.0065 1.0065 1.1638 1.1638 1.2224 1.2224 2.2616 2.2616 2.3375 2.3375 2.5639 2.5639 2.6904 2.6904 2.9771 2.9771 3.0282 3.0282 3.8971 3.8971 3.9094 3.9094 3.9831 3.9831 4.0016 4.0016 6.7754 6.7754 6.7780 6.7780 8.2716 8.2716 8.2755 8.2755 9.8560 9.8560 k = 0.5229 0.2795 0.1040 ( 6055 PWs) bands (ev): -7.9701 -7.9701 -7.9698 -7.9698 -6.8916 -6.8916 -6.8814 -6.8814 -6.7758 -6.7758 -6.7673 -6.7673 -0.9581 -0.9581 -0.9512 -0.9512 0.3749 0.3749 0.3846 0.3846 0.9442 0.9442 0.9917 0.9917 1.1299 1.1299 1.1698 1.1698 2.3012 2.3012 2.3452 2.3452 2.6061 2.6061 2.6857 2.6857 2.9380 2.9380 2.9740 2.9740 3.9293 3.9293 3.9381 3.9381 3.9991 3.9991 4.0110 4.0110 6.7538 6.7538 6.7556 6.7556 8.2513 8.2513 8.2534 8.2534 9.9249 9.9249 k = 0.5172 0.2764 0.1240 ( 6066 PWs) bands (ev): -7.9745 -7.9745 -7.9743 -7.9743 -6.8717 -6.8717 -6.8661 -6.8661 -6.7849 -6.7849 -6.7800 -6.7800 -0.9623 -0.9623 -0.9593 -0.9593 0.3979 0.3979 0.4026 0.4026 0.9560 0.9560 0.9836 0.9836 1.0976 1.0976 1.1214 1.1214 2.3324 2.3324 2.3531 2.3531 2.6484 2.6484 2.6911 2.6911 2.8981 2.8981 2.9206 2.9206 3.9543 3.9543 3.9590 3.9590 4.0138 4.0138 4.0198 4.0198 6.7364 6.7364 6.7376 6.7376 8.2338 8.2338 8.2347 8.2347 9.9950 9.9950 k = 0.5114 0.2734 0.1440 ( 6081 PWs) bands (ev): -7.9776 -7.9776 -7.9775 -7.9775 -6.8534 -6.8534 -6.8509 -6.8509 -6.7956 -6.7956 -6.7933 -6.7933 -0.9657 -0.9657 -0.9648 -0.9648 0.4153 0.4153 0.4169 0.4169 0.9712 0.9712 0.9835 0.9835 1.0676 1.0676 1.0786 1.0786 2.3535 2.3535 2.3605 2.3605 2.6907 2.6907 2.7082 2.7082 2.8577 2.8577 2.8688 2.8688 3.9711 3.9711 3.9728 3.9728 4.0259 4.0259 4.0279 4.0279 6.7238 6.7238 6.7245 6.7245 8.2202 8.2202 8.2207 8.2207 10.0630 10.0630 k = 0.5057 0.2703 0.1640 ( 6091 PWs) bands (ev): -7.9795 -7.9795 -7.9795 -7.9795 -6.8366 -6.8366 -6.8360 -6.8360 -6.8077 -6.8077 -6.8072 -6.8072 -0.9680 -0.9680 -0.9678 -0.9678 0.4260 0.4260 0.4263 0.4263 0.9891 0.9891 0.9920 0.9920 1.0406 1.0406 1.0433 1.0433 2.3646 2.3646 2.3663 2.3663 2.7328 2.7328 2.7367 2.7367 2.8167 2.8167 2.8198 2.8198 3.9802 3.9802 3.9806 3.9806 4.0337 4.0337 4.0340 4.0340 6.7161 6.7161 6.7165 6.7165 8.2117 8.2117 8.2119 8.2119 10.1208 10.1208 k = 0.5000 0.2673 0.1839 ( 6100 PWs) bands (ev): -7.9801 -7.9801 -7.9801 -7.9801 -6.8217 -6.8217 -6.8217 -6.8217 -6.8211 -6.8211 -6.8211 -6.8211 -0.9688 -0.9688 -0.9688 -0.9688 0.4296 0.4296 0.4296 0.4296 1.0031 1.0031 1.0031 1.0031 1.0233 1.0233 1.0233 1.0233 2.3682 2.3682 2.3682 2.3682 2.7705 2.7705 2.7706 2.7706 2.7792 2.7792 2.7793 2.7793 3.9831 3.9831 3.9831 3.9831 4.0364 4.0364 4.0364 4.0364 6.7136 6.7136 6.7137 6.7137 8.2089 8.2089 8.2089 8.2089 10.1480 10.1480 k = 0.5000-0.3341-0.2299 ( 6022 PWs) bands (ev): -7.9157 -7.9157 -7.9157 -7.9157 -6.9263 -6.9263 -6.9263 -6.9263 -6.7970 -6.7970 -6.7970 -6.7970 -1.1194 -1.1194 -1.1194 -1.1194 -0.1828 -0.1828 -0.1828 -0.1828 1.4313 1.4313 1.4313 1.4313 1.6184 1.6184 1.6184 1.6184 2.4101 2.4101 2.4101 2.4101 2.9932 2.9932 2.9932 2.9932 3.1469 3.1469 3.1469 3.1469 3.5127 3.5127 3.5127 3.5127 4.0803 4.0803 4.0803 4.0803 6.9584 6.9584 6.9584 6.9584 7.8270 7.8270 7.8270 7.8270 9.5818 9.5818 k = 0.5132-0.3207-0.2207 ( 6014 PWs) bands (ev): -7.9159 -7.9159 -7.9144 -7.9144 -6.9409 -6.9409 -6.9119 -6.9119 -6.8163 -6.8163 -6.7792 -6.7792 -1.1347 -1.1347 -1.1004 -1.1004 -0.1840 -0.1840 -0.1805 -0.1805 1.3823 1.3823 1.4737 1.4737 1.6121 1.6121 1.6326 1.6326 2.3865 2.3865 2.4329 2.4329 2.9268 2.9268 3.0589 3.0589 3.1391 3.1391 3.1524 3.1524 3.4939 3.4939 3.5314 3.5314 4.0588 4.0588 4.0970 4.0970 6.9272 6.9272 6.9880 6.9880 7.8080 7.8080 7.8514 7.8514 9.5614 9.5614 k = 0.5263-0.3073-0.2115 ( 6004 PWs) bands (ev): -7.9148 -7.9148 -7.9118 -7.9118 -6.9559 -6.9559 -6.8978 -6.8978 -6.8370 -6.8370 -6.7632 -6.7632 -1.1465 -1.1465 -1.0778 -1.0778 -0.1843 -0.1843 -0.1773 -0.1773 1.3314 1.3314 1.4991 1.4991 1.6240 1.6240 1.6497 1.6497 2.3625 2.3625 2.4542 2.4542 2.8601 2.8601 3.1228 3.1228 3.1282 3.1282 3.1572 3.1572 3.4761 3.4761 3.5491 3.5491 4.0331 4.0331 4.1085 4.1085 6.8956 6.8956 7.0150 7.0150 7.7951 7.7951 7.8800 7.8800 9.5373 9.5373 k = 0.5395-0.2940-0.2023 ( 6020 PWs) bands (ev): -7.9127 -7.9127 -7.9081 -7.9081 -6.9713 -6.9713 -6.8839 -6.8839 -6.8589 -6.8589 -6.7489 -6.7489 -1.1548 -1.1548 -1.0514 -1.0514 -0.1836 -0.1836 -0.1730 -0.1730 1.2806 1.2806 1.5028 1.5028 1.6586 1.6586 1.6677 1.6677 2.3388 2.3388 2.4733 2.4733 2.7935 2.7935 3.1125 3.1125 3.1583 3.1583 3.1890 3.1890 3.4602 3.4602 3.5649 3.5649 4.0039 4.0039 4.1148 4.1148 6.8651 6.8651 7.0385 7.0385 7.7890 7.7890 7.9112 7.9112 9.5112 9.5112 k = 0.5526-0.2806-0.1931 ( 6016 PWs) bands (ev): -7.9094 -7.9094 -7.9030 -7.9030 -6.9872 -6.9872 -6.8817 -6.8817 -6.8703 -6.8703 -6.7364 -6.7364 -1.1600 -1.1600 -1.0213 -1.0213 -0.1822 -0.1822 -0.1678 -0.1678 1.2307 1.2307 1.4944 1.4944 1.6838 1.6838 1.7080 1.7080 2.3161 2.3161 2.4896 2.4896 2.7275 2.7275 3.0920 3.0920 3.1630 3.1630 3.2499 3.2499 3.4470 3.4470 3.5780 3.5780 3.9718 3.9718 4.1158 4.1158 6.8369 6.8369 7.0584 7.0584 7.7892 7.7892 7.9435 7.9435 9.4856 9.4856 k = 0.5658-0.2673-0.1839 ( 6023 PWs) bands (ev): -7.9052 -7.9052 -7.8968 -7.8968 -7.0039 -7.0039 -6.9050 -6.9050 -6.8571 -6.8571 -6.7257 -6.7257 -1.1620 -1.1620 -0.9874 -0.9874 -0.1800 -0.1800 -0.1618 -0.1618 1.1825 1.1825 1.4819 1.4819 1.6991 1.6991 1.7620 1.7620 2.2947 2.2947 2.5025 2.5025 2.6622 2.6622 3.0665 3.0665 3.1679 3.1679 3.3093 3.3093 3.4369 3.4369 3.5878 3.5878 3.9379 3.9379 4.1116 4.1116 6.8122 6.8122 7.0747 7.0747 7.7952 7.7952 7.9756 7.9756 9.4622 9.4622 k = 0.5789-0.2539-0.1747 ( 6021 PWs) bands (ev): -7.9000 -7.9000 -7.8892 -7.8892 -7.0216 -7.0216 -6.9282 -6.9282 -6.8442 -6.8442 -6.7168 -6.7168 -1.1612 -1.1612 -0.9498 -0.9498 -0.1772 -0.1772 -0.1551 -0.1551 1.1365 1.1365 1.4682 1.4682 1.7118 1.7118 1.8186 1.8186 2.2752 2.2752 2.5113 2.5113 2.5981 2.5981 3.0362 3.0362 3.1742 3.1742 3.3660 3.3660 3.4302 3.4302 3.5937 3.5937 3.9033 3.9033 4.1025 4.1025 6.7920 6.7920 7.0879 7.0879 7.8057 7.8057 8.0060 8.0060 9.4424 9.4424 k = 0.5921-0.2405-0.1655 ( 6022 PWs) bands (ev): -7.8939 -7.8939 -7.8804 -7.8804 -7.0408 -7.0408 -6.9507 -6.9507 -6.8318 -6.8318 -6.7097 -6.7097 -1.1577 -1.1577 -0.9085 -0.9085 -0.1739 -0.1739 -0.1481 -0.1481 1.0930 1.0930 1.4547 1.4547 1.7209 1.7209 1.8763 1.8763 2.2577 2.2577 2.5147 2.5147 2.5365 2.5365 3.0020 3.0020 3.1820 3.1820 3.4147 3.4147 3.4310 3.4310 3.5955 3.5955 3.8692 3.8692 4.0888 4.0888 6.7773 6.7773 7.0990 7.0990 7.8191 7.8191 8.0336 8.0336 9.4272 9.4272 k = 0.6053-0.2272-0.1563 ( 6022 PWs) bands (ev): -7.8870 -7.8870 -7.8704 -7.8704 -7.0619 -7.0619 -6.9719 -6.9719 -6.8200 -6.8200 -6.7042 -6.7042 -1.1518 -1.1518 -0.8636 -0.8636 -0.1702 -0.1702 -0.1410 -0.1410 1.0526 1.0526 1.4417 1.4417 1.7259 1.7259 1.9345 1.9345 2.2424 2.2424 2.4731 2.4731 2.5166 2.5166 2.9653 2.9653 3.1913 3.1913 3.4208 3.4208 3.4728 3.4728 3.5934 3.5934 3.8368 3.8368 4.0709 4.0709 6.7688 6.7688 7.1086 7.1086 7.8342 7.8342 8.0575 8.0575 9.4171 9.4171 k = 0.6184-0.2138-0.1471 ( 6016 PWs) bands (ev): -7.8795 -7.8795 -7.8591 -7.8591 -7.0851 -7.0851 -6.9914 -6.9914 -6.8089 -6.8089 -6.7001 -6.7001 -1.1438 -1.1438 -0.8152 -0.8152 -0.1662 -0.1662 -0.1343 -0.1343 1.0159 1.0159 1.4294 1.4294 1.7262 1.7262 1.9928 1.9928 2.2284 2.2284 2.4144 2.4144 2.5108 2.5108 2.9276 2.9276 3.2020 3.2020 3.4204 3.4204 3.5166 3.5166 3.5893 3.5893 3.8074 3.8074 4.0492 4.0492 6.7669 6.7669 7.1176 7.1176 7.8497 7.8497 8.0770 8.0770 9.4123 9.4123 k = 0.6316-0.2004-0.1380 ( 6024 PWs) bands (ev): -7.8716 -7.8716 -7.8466 -7.8466 -7.1103 -7.1103 -7.0090 -7.0090 -6.7986 -6.7986 -6.6973 -6.6973 -1.1340 -1.1340 -0.7633 -0.7633 -0.1620 -0.1620 -0.1284 -0.1284 0.9833 0.9833 1.4180 1.4180 1.7219 1.7219 2.0507 2.0507 2.2142 2.2142 2.3584 2.3584 2.5002 2.5002 2.8908 2.8908 3.2133 3.2133 3.4206 3.4206 3.5457 3.5457 3.5919 3.5919 3.7823 3.7823 4.0243 4.0243 6.7719 6.7719 7.1266 7.1266 7.8644 7.8644 8.0917 8.0917 9.4129 9.4129 k = 0.6447-0.1871-0.1288 ( 6021 PWs) bands (ev): -7.8633 -7.8633 -7.8329 -7.8329 -7.1369 -7.1369 -7.0246 -7.0246 -6.7894 -6.7894 -6.6955 -6.6955 -1.1226 -1.1226 -0.7082 -0.7082 -0.1576 -0.1576 -0.1239 -0.1239 0.9554 0.9554 1.4071 1.4071 1.7130 1.7130 2.1078 2.1078 2.1970 2.1970 2.3070 2.3070 2.4846 2.4846 2.8568 2.8568 3.2245 3.2245 3.4214 3.4214 3.5469 3.5469 3.6133 3.6133 3.7639 3.7639 3.9966 3.9966 6.7839 6.7839 7.1363 7.1363 7.8779 7.8779 8.1013 8.1013 9.4186 9.4186 k = 0.6579-0.1737-0.1196 ( 6020 PWs) bands (ev): -7.8550 -7.8550 -7.8180 -7.8180 -7.1645 -7.1645 -7.0387 -7.0387 -6.7817 -6.7817 -6.6943 -6.6943 -1.1099 -1.1099 -0.6500 -0.6500 -0.1531 -0.1531 -0.1213 -0.1213 0.9327 0.9327 1.3968 1.3968 1.7002 1.7002 2.1585 2.1585 2.1767 2.1767 2.2637 2.2637 2.4643 2.4643 2.8278 2.8278 3.2345 3.2345 3.4224 3.4224 3.5365 3.5365 3.6341 3.6341 3.7567 3.7567 3.9666 3.9666 6.8026 6.8026 7.1469 7.1469 7.8897 7.8897 8.1057 8.1057 9.4290 9.4290 k = 0.6711-0.1603-0.1104 ( 6020 PWs) bands (ev): -7.8469 -7.8469 -7.8020 -7.8020 -7.1924 -7.1924 -7.0514 -7.0514 -6.7758 -6.7758 -6.6932 -6.6932 -1.0964 -1.0964 -0.5890 -0.5890 -0.1485 -0.1485 -0.1213 -0.1213 0.9158 0.9158 1.3866 1.3866 1.6840 1.6840 2.1305 2.1305 2.2170 2.2170 2.2351 2.2351 2.4400 2.4400 2.8056 2.8056 3.2423 3.2423 3.4236 3.4236 3.5245 3.5245 3.6413 3.6413 3.7654 3.7654 3.9348 3.9348 6.8277 6.8277 7.1587 7.1587 7.8999 7.8999 8.1049 8.1049 9.4436 9.4436 k = 0.6842-0.1470-0.1012 ( 6018 PWs) bands (ev): -7.8394 -7.8394 -7.7848 -7.7848 -7.2198 -7.2198 -7.0630 -7.0630 -6.7722 -6.7722 -6.6917 -6.6917 -1.0824 -1.0824 -0.5255 -0.5255 -0.1436 -0.1436 -0.1243 -0.1243 0.9051 0.9051 1.3764 1.3764 1.6652 1.6652 2.0819 2.0819 2.2025 2.2025 2.2758 2.2758 2.4132 2.4132 2.7916 2.7916 3.2468 3.2468 3.4248 3.4248 3.5128 3.5128 3.6375 3.6375 3.7865 3.7865 3.9017 3.9017 6.8584 6.8584 7.1721 7.1721 7.9084 7.9084 8.0989 8.0989 9.4620 9.4620 k = 0.6974-0.1336-0.0920 ( 6020 PWs) bands (ev): -7.8329 -7.8329 -7.7666 -7.7666 -7.2461 -7.2461 -7.0735 -7.0735 -6.7713 -6.7713 -6.6893 -6.6893 -1.0682 -1.0682 -0.4600 -0.4600 -0.1389 -0.1389 -0.1300 -0.1300 0.9007 0.9007 1.3657 1.3657 1.6444 1.6444 2.0269 2.0269 2.1787 2.1787 2.3186 2.3186 2.3916 2.3916 2.7861 2.7861 3.2476 3.2476 3.4259 3.4259 3.5010 3.5010 3.6313 3.6313 3.8125 3.8125 3.8679 3.8679 6.8941 6.8941 7.1870 7.1870 7.9156 7.9156 8.0877 8.0877 9.4836 9.4836 k = 0.7105-0.1203-0.0828 ( 6012 PWs) bands (ev): -7.8279 -7.8279 -7.7473 -7.7473 -7.2706 -7.2706 -7.0831 -7.0831 -6.7732 -6.7732 -6.6858 -6.6858 -1.0541 -1.0541 -0.3936 -0.3936 -0.1429 -0.1429 -0.1294 -0.1294 0.9026 0.9026 1.3541 1.3541 1.6222 1.6222 1.9684 1.9684 2.1546 2.1546 2.3200 2.3200 2.4078 2.4078 2.7890 2.7890 3.2446 3.2446 3.4269 3.4269 3.4878 3.4878 3.6286 3.6286 3.8286 3.8286 3.8445 3.8445 6.9335 6.9335 7.2037 7.2037 7.9219 7.9219 8.0713 8.0713 9.5053 9.5053 k = 0.7237-0.1069-0.0736 ( 6020 PWs) bands (ev): -7.8251 -7.8251 -7.7270 -7.7270 -7.2925 -7.2925 -7.0918 -7.0918 -6.7776 -6.7776 -6.6814 -6.6814 -1.0405 -1.0405 -0.3280 -0.3280 -0.1566 -0.1566 -0.1199 -0.1199 0.9106 0.9106 1.3413 1.3413 1.5990 1.5990 1.9078 1.9078 2.1307 2.1307 2.2887 2.2887 2.4536 2.4536 2.7990 2.7990 3.2383 3.2383 3.4273 3.4273 3.4726 3.4726 3.6318 3.6318 3.7973 3.7973 3.8678 3.8678 6.9757 6.9757 7.2222 7.2222 7.9274 7.9274 8.0499 8.0499 9.4606 9.4606 k = 0.7368-0.0935-0.0644 ( 6025 PWs) bands (ev): -7.8249 -7.8249 -7.7058 -7.7058 -7.3112 -7.3112 -7.0996 -7.0996 -6.7842 -6.7842 -6.6762 -6.6762 -1.0278 -1.0278 -0.2677 -0.2677 -0.1746 -0.1746 -0.1029 -0.1029 0.9241 0.9241 1.3268 1.3268 1.5748 1.5748 1.8463 1.8463 2.1079 2.1079 2.2503 2.2503 2.5040 2.5040 2.8150 2.8150 3.2290 3.2290 3.4266 3.4266 3.4562 3.4562 3.6407 3.6407 3.7642 3.7642 3.8921 3.8921 7.0193 7.0193 7.2426 7.2426 7.9326 7.9326 8.0236 8.0236 9.4132 9.4132 k = 0.7500-0.0802-0.0552 ( 6022 PWs) bands (ev): -7.8279 -7.8279 -7.6837 -7.6837 -7.3259 -7.3259 -7.1067 -7.1067 -6.7926 -6.7926 -6.6707 -6.6707 -1.0162 -1.0162 -0.2210 -0.2210 -0.1959 -0.1959 -0.0708 -0.0708 0.9422 0.9422 1.3104 1.3104 1.5496 1.5496 1.7851 1.7851 2.0873 2.0873 2.2095 2.2095 2.5549 2.5549 2.8357 2.8357 3.2170 3.2170 3.4237 3.4237 3.4407 3.4407 3.6539 3.6539 3.7330 3.7330 3.9145 3.9145 7.0629 7.0629 7.2648 7.2648 7.9378 7.9378 7.9928 7.9928 9.3694 9.3694 k = 0.7632-0.0668-0.0460 ( 6017 PWs) bands (ev): -7.8346 -7.8346 -7.6608 -7.6608 -7.3361 -7.3361 -7.1129 -7.1129 -6.8023 -6.8023 -6.6650 -6.6650 -1.0062 -1.0062 -0.2222 -0.2222 -0.1916 -0.1916 -0.0184 -0.0184 0.9639 0.9639 1.2919 1.2919 1.5227 1.5227 1.7261 1.7261 2.0697 2.0697 2.1678 2.1678 2.6056 2.6056 2.8598 2.8598 3.2023 3.2023 3.4166 3.4166 3.4287 3.4287 3.6692 3.6692 3.7058 3.7058 3.9344 3.9344 7.1050 7.1050 7.2889 7.2889 7.9422 7.9422 7.9588 7.9588 9.3302 9.3302 Writing output data file Al2S3.save init_run : 0.34s CPU 0.53s WALL ( 1 calls) electrons : 252.36s CPU 255.04s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.12s WALL ( 1 calls) Called by electrons: c_bands : 252.35s CPU 255.03s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.13s CPU 0.14s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.11s CPU 0.12s WALL ( 220 calls) cegterg : 232.22s CPU 234.41s WALL ( 481 calls) Called by sum_band: Called by *egterg: h_psi : 136.56s CPU 138.08s WALL ( 8424 calls) s_psi : 14.10s CPU 14.14s WALL ( 8424 calls) g_psi : 0.34s CPU 0.29s WALL ( 7723 calls) cdiaghg : 73.16s CPU 74.02s WALL ( 7943 calls) cegterg:over : 8.26s CPU 8.46s WALL ( 7723 calls) cegterg:upda : 8.96s CPU 8.86s WALL ( 7723 calls) cegterg:last : 3.08s CPU 3.05s WALL ( 930 calls) cdiaghg:chol : 4.26s CPU 4.25s WALL ( 7943 calls) cdiaghg:inve : 3.00s CPU 3.00s WALL ( 7943 calls) cdiaghg:para : 4.80s CPU 4.80s WALL ( 15886 calls) Called by h_psi: h_psi:vloc : 105.64s CPU 107.04s WALL ( 8424 calls) h_psi:vnl : 30.62s CPU 30.71s WALL ( 8424 calls) add_vuspsi : 17.34s CPU 17.33s WALL ( 8424 calls) General routines calbec : 13.24s CPU 13.35s WALL ( 8424 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 99.74s CPU 100.99s WALL ( 714212 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.10s CPU 0.21s WALL ( 440 calls) Parallel routines fft_scatter : 28.05s CPU 28.51s WALL ( 714235 calls) PWSCF : 4m27.76s CPU 4m42.85s WALL This run was terminated on: 19:22:38 27Jan2017 =------------------------------------------------------------------------------= JOB DONE. 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