Program PWSCF v.5.1.1 starts on 11Oct2015 at 17:37:54 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./TlClO3.save/ file Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 37 21 6 1185 519 83 Max 39 22 7 1189 531 87 Sum 1783 1039 303 56969 25151 4063 bravais-lattice index = 14 lattice parameter (alat) = 8.3526 a.u. unit-cell volume = 579.2859 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 38.00 number of Kohn-Sham states= 46 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.352589 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.064010 celldm(5)= 0.064010 celldm(6)= 0.064010 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.064010 0.997949 0.000000 ) a(3) = ( 0.064010 0.060036 0.996142 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.064141 -0.060392 ) b(2) = ( 0.000000 1.002055 -0.060392 ) b(3) = ( 0.000000 0.000000 1.003873 ) PseudoPot. # 1 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 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 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Tl read from file: /home/autes/Pseudo/Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: cd969aa200d2b9b89aab382fbbb9d684 Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1281 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Cl read from file: /home/autes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1157 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 O 6.00 15.99940 O( 1.00) Tl 13.00 204.38330 Tl( 1.00) Cl 7.00 35.45300 Cl( 1.00) No symmetry 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 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 293 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034130 k( 2) = ( 0.0138889 -0.0008909 -0.0008388), wk = 0.0034130 k( 3) = ( 0.0277778 -0.0017817 -0.0016776), wk = 0.0034130 k( 4) = ( 0.0416667 -0.0026726 -0.0025163), wk = 0.0034130 k( 5) = ( 0.0555556 -0.0035634 -0.0033551), wk = 0.0034130 k( 6) = ( 0.0694444 -0.0044543 -0.0041939), wk = 0.0034130 k( 7) = ( 0.0833333 -0.0053451 -0.0050327), wk = 0.0034130 k( 8) = ( 0.0972222 -0.0062360 -0.0058714), wk = 0.0034130 k( 9) = ( 0.1111111 -0.0071268 -0.0067102), wk = 0.0034130 k( 10) = ( 0.1250000 -0.0080177 -0.0075490), wk = 0.0034130 k( 11) = ( 0.1388889 -0.0089085 -0.0083878), wk = 0.0034130 k( 12) = ( 0.1527778 -0.0097994 -0.0092266), wk = 0.0034130 k( 13) = ( 0.1666667 -0.0106902 -0.0100653), wk = 0.0034130 k( 14) = ( 0.1805556 -0.0115811 -0.0109041), wk = 0.0034130 k( 15) = ( 0.1944444 -0.0124719 -0.0117429), wk = 0.0034130 k( 16) = ( 0.2083333 -0.0133628 -0.0125817), wk = 0.0034130 k( 17) = ( 0.2222222 -0.0142536 -0.0134205), wk = 0.0034130 k( 18) = ( 0.2361111 -0.0151445 -0.0142592), wk = 0.0034130 k( 19) = ( 0.2500000 -0.0160353 -0.0150980), wk = 0.0034130 k( 20) = ( 0.2638889 -0.0169262 -0.0159368), wk = 0.0034130 k( 21) = ( 0.2777778 -0.0178170 -0.0167756), wk = 0.0034130 k( 22) = ( 0.2916667 -0.0187079 -0.0176143), wk = 0.0034130 k( 23) = ( 0.3055556 -0.0195987 -0.0184531), wk = 0.0034130 k( 24) = ( 0.3194444 -0.0204896 -0.0192919), wk = 0.0034130 k( 25) = ( 0.3333333 -0.0213804 -0.0201307), wk = 0.0034130 k( 26) = ( 0.3472222 -0.0222713 -0.0209695), wk = 0.0034130 k( 27) = ( 0.3611111 -0.0231621 -0.0218082), wk = 0.0034130 k( 28) = ( 0.3750000 -0.0240530 -0.0226470), wk = 0.0034130 k( 29) = ( 0.3888889 -0.0249439 -0.0234858), wk = 0.0034130 k( 30) = ( 0.4027778 -0.0258347 -0.0243246), wk = 0.0034130 k( 31) = ( 0.4166667 -0.0267256 -0.0251633), wk = 0.0034130 k( 32) = ( 0.4305556 -0.0276164 -0.0260021), wk = 0.0034130 k( 33) = ( 0.4444444 -0.0285073 -0.0268409), wk = 0.0034130 k( 34) = ( 0.4583333 -0.0293981 -0.0276797), wk = 0.0034130 k( 35) = ( 0.4722222 -0.0302890 -0.0285185), wk = 0.0034130 k( 36) = ( 0.4861111 -0.0311798 -0.0293572), wk = 0.0034130 k( 37) = ( 0.5000000 -0.0320707 -0.0301960), wk = 0.0034130 k( 38) = ( 0.5000000 -0.0320707 -0.0301960), wk = 0.0034130 k( 39) = ( 0.5000000 -0.0226203 -0.0402330), wk = 0.0034130 k( 40) = ( 0.5000000 -0.0131700 -0.0502701), wk = 0.0034130 k( 41) = ( 0.5000000 -0.0037197 -0.0603071), wk = 0.0034130 k( 42) = ( 0.5000000 0.0057307 -0.0703442), wk = 0.0034130 k( 43) = ( 0.5000000 0.0151810 -0.0803812), wk = 0.0034130 k( 44) = ( 0.5000000 0.0246313 -0.0904182), wk = 0.0034130 k( 45) = ( 0.5000000 0.0340817 -0.1004552), wk = 0.0034130 k( 46) = ( 0.5000000 0.0435320 -0.1104923), wk = 0.0034130 k( 47) = ( 0.5000000 0.0529823 -0.1205293), wk = 0.0034130 k( 48) = ( 0.5000000 0.0624326 -0.1305663), wk = 0.0034130 k( 49) = ( 0.5000000 0.0718830 -0.1406034), wk = 0.0034130 k( 50) = ( 0.5000000 0.0813333 -0.1506404), wk = 0.0034130 k( 51) = ( 0.5000000 0.0907836 -0.1606774), wk = 0.0034130 k( 52) = ( 0.5000000 0.1002340 -0.1707145), wk = 0.0034130 k( 53) = ( 0.5000000 0.1096843 -0.1807515), wk = 0.0034130 k( 54) = ( 0.5000000 0.1191346 -0.1907885), wk = 0.0034130 k( 55) = ( 0.5000000 0.1285850 -0.2008256), wk = 0.0034130 k( 56) = ( 0.5000000 0.1380353 -0.2108626), wk = 0.0034130 k( 57) = ( 0.5000000 0.1474856 -0.2208997), wk = 0.0034130 k( 58) = ( 0.5000000 0.1569360 -0.2309367), wk = 0.0034130 k( 59) = ( 0.5000000 0.1663863 -0.2409737), wk = 0.0034130 k( 60) = ( 0.5000000 0.1758366 -0.2510107), wk = 0.0034130 k( 61) = ( 0.5000000 0.1852870 -0.2610478), wk = 0.0034130 k( 62) = ( 0.5000000 0.1947373 -0.2710848), wk = 0.0034130 k( 63) = ( 0.5000000 0.2041876 -0.2811218), wk = 0.0034130 k( 64) = ( 0.5000000 0.2136380 -0.2911589), wk = 0.0034130 k( 65) = ( 0.5000000 0.2230883 -0.3011959), wk = 0.0034130 k( 66) = ( 0.5000000 0.2325386 -0.3112329), wk = 0.0034130 k( 67) = ( 0.5000000 0.2419889 -0.3212700), wk = 0.0034130 k( 68) = ( 0.5000000 0.2514393 -0.3313070), wk = 0.0034130 k( 69) = ( 0.5000000 0.2608896 -0.3413440), wk = 0.0034130 k( 70) = ( 0.5000000 0.2703399 -0.3513811), wk = 0.0034130 k( 71) = ( 0.5000000 0.2797903 -0.3614181), wk = 0.0034130 k( 72) = ( 0.5000000 0.2892406 -0.3714551), wk = 0.0034130 k( 73) = ( 0.5000000 0.2986909 -0.3814922), wk = 0.0034130 k( 74) = ( 0.5000000 0.3081413 -0.3915292), wk = 0.0034130 k( 75) = ( 0.5000000 0.3175916 -0.4015662), wk = 0.0034130 k( 76) = ( 0.5000000 0.3270419 -0.4116033), wk = 0.0034130 k( 77) = ( 0.5000000 0.3364923 -0.4216403), wk = 0.0034130 k( 78) = ( 0.5000000 0.3459426 -0.4316773), wk = 0.0034130 k( 79) = ( 0.5000000 0.3553929 -0.4417144), wk = 0.0034130 k( 80) = ( 0.5000000 0.3648433 -0.4517514), wk = 0.0034130 k( 81) = ( 0.5000000 0.3742936 -0.4617884), wk = 0.0034130 k( 82) = ( 0.5000000 0.3837439 -0.4718255), wk = 0.0034130 k( 83) = ( 0.5000000 0.3931942 -0.4818625), wk = 0.0034130 k( 84) = ( 0.5000000 0.4026446 -0.4918995), wk = 0.0034130 k( 85) = ( 0.5000000 0.4120949 -0.5019366), wk = 0.0034130 k( 86) = ( 0.5567453 0.4653171 0.3811525), wk = 0.0034130 k( 87) = ( 0.5472877 0.4659237 0.3912179), wk = 0.0034130 k( 88) = ( 0.5378302 0.4665303 0.4012832), wk = 0.0034130 k( 89) = ( 0.5283726 0.4671369 0.4113485), wk = 0.0034130 k( 90) = ( 0.5189151 0.4677436 0.4214139), wk = 0.0034130 k( 91) = ( 0.5094576 0.4683502 0.4314792), wk = 0.0034130 k( 92) = ( 0.5000000 0.4689568 0.4415445), wk = 0.0034130 k( 93) = ( 0.5000000 0.4689568 0.4415445), wk = 0.0034130 k( 94) = ( 0.4913793 0.4608713 0.4339317), wk = 0.0034130 k( 95) = ( 0.4827586 0.4527859 0.4263189), wk = 0.0034130 k( 96) = ( 0.4741379 0.4447004 0.4187060), wk = 0.0034130 k( 97) = ( 0.4655172 0.4366150 0.4110932), wk = 0.0034130 k( 98) = ( 0.4568966 0.4285295 0.4034804), wk = 0.0034130 k( 99) = ( 0.4482759 0.4204440 0.3958675), wk = 0.0034130 k( 100) = ( 0.4396552 0.4123586 0.3882547), wk = 0.0034130 k( 101) = ( 0.4310345 0.4042731 0.3806418), wk = 0.0034130 k( 102) = ( 0.4224138 0.3961876 0.3730290), wk = 0.0034130 k( 103) = ( 0.4137931 0.3881022 0.3654162), wk = 0.0034130 k( 104) = ( 0.4051724 0.3800167 0.3578033), wk = 0.0034130 k( 105) = ( 0.3965517 0.3719313 0.3501905), wk = 0.0034130 k( 106) = ( 0.3879310 0.3638458 0.3425777), wk = 0.0034130 k( 107) = ( 0.3793103 0.3557603 0.3349648), wk = 0.0034130 k( 108) = ( 0.3706897 0.3476749 0.3273520), wk = 0.0034130 k( 109) = ( 0.3620690 0.3395894 0.3197392), wk = 0.0034130 k( 110) = ( 0.3534483 0.3315040 0.3121263), wk = 0.0034130 k( 111) = ( 0.3448276 0.3234185 0.3045135), wk = 0.0034130 k( 112) = ( 0.3362069 0.3153330 0.2969006), wk = 0.0034130 k( 113) = ( 0.3275862 0.3072476 0.2892878), wk = 0.0034130 k( 114) = ( 0.3189655 0.2991621 0.2816750), wk = 0.0034130 k( 115) = ( 0.3103448 0.2910766 0.2740621), wk = 0.0034130 k( 116) = ( 0.3017241 0.2829912 0.2664493), wk = 0.0034130 k( 117) = ( 0.2931034 0.2749057 0.2588365), wk = 0.0034130 k( 118) = ( 0.2844828 0.2668203 0.2512236), wk = 0.0034130 k( 119) = ( 0.2758621 0.2587348 0.2436108), wk = 0.0034130 k( 120) = ( 0.2672414 0.2506493 0.2359979), wk = 0.0034130 k( 121) = ( 0.2586207 0.2425639 0.2283851), wk = 0.0034130 k( 122) = ( 0.2500000 0.2344784 0.2207723), wk = 0.0034130 k( 123) = ( 0.2413793 0.2263929 0.2131594), wk = 0.0034130 k( 124) = ( 0.2327586 0.2183075 0.2055466), wk = 0.0034130 k( 125) = ( 0.2241379 0.2102220 0.1979338), wk = 0.0034130 k( 126) = ( 0.2155172 0.2021366 0.1903209), wk = 0.0034130 k( 127) = ( 0.2068966 0.1940511 0.1827081), wk = 0.0034130 k( 128) = ( 0.1982759 0.1859656 0.1750952), wk = 0.0034130 k( 129) = ( 0.1896552 0.1778802 0.1674824), wk = 0.0034130 k( 130) = ( 0.1810345 0.1697947 0.1598696), wk = 0.0034130 k( 131) = ( 0.1724138 0.1617092 0.1522567), wk = 0.0034130 k( 132) = ( 0.1637931 0.1536238 0.1446439), wk = 0.0034130 k( 133) = ( 0.1551724 0.1455383 0.1370311), wk = 0.0034130 k( 134) = ( 0.1465517 0.1374529 0.1294182), wk = 0.0034130 k( 135) = ( 0.1379310 0.1293674 0.1218054), wk = 0.0034130 k( 136) = ( 0.1293103 0.1212819 0.1141926), wk = 0.0034130 k( 137) = ( 0.1206897 0.1131965 0.1065797), wk = 0.0034130 k( 138) = ( 0.1120690 0.1051110 0.0989669), wk = 0.0034130 k( 139) = ( 0.1034483 0.0970256 0.0913540), wk = 0.0034130 k( 140) = ( 0.0948276 0.0889401 0.0837412), wk = 0.0034130 k( 141) = ( 0.0862069 0.0808546 0.0761284), wk = 0.0034130 k( 142) = ( 0.0775862 0.0727692 0.0685155), wk = 0.0034130 k( 143) = ( 0.0689655 0.0646837 0.0609027), wk = 0.0034130 k( 144) = ( 0.0603448 0.0565982 0.0532899), wk = 0.0034130 k( 145) = ( 0.0517241 0.0485128 0.0456770), wk = 0.0034130 k( 146) = ( 0.0431035 0.0404273 0.0380642), wk = 0.0034130 k( 147) = ( 0.0344828 0.0323419 0.0304513), wk = 0.0034130 k( 148) = ( 0.0258621 0.0242564 0.0228385), wk = 0.0034130 k( 149) = ( 0.0172414 0.0161709 0.0152257), wk = 0.0034130 k( 150) = ( 0.0086207 0.0080855 0.0076128), wk = 0.0034130 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034130 k( 152) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034130 k( 153) = ( 0.0094325 -0.0006050 -0.0100387), wk = 0.0034130 k( 154) = ( 0.0188651 -0.0012100 -0.0200775), wk = 0.0034130 k( 155) = ( 0.0282976 -0.0018150 -0.0301162), wk = 0.0034130 k( 156) = ( 0.0377302 -0.0024201 -0.0401549), wk = 0.0034130 k( 157) = ( 0.0471627 -0.0030251 -0.0501937), wk = 0.0034130 k( 158) = ( 0.0565953 -0.0036301 -0.0602324), wk = 0.0034130 k( 159) = ( 0.0660278 -0.0042351 -0.0702711), wk = 0.0034130 k( 160) = ( 0.0754604 -0.0048401 -0.0803099), wk = 0.0034130 k( 161) = ( 0.0848929 -0.0054451 -0.0903486), wk = 0.0034130 k( 162) = ( 0.0943255 -0.0060502 -0.1003873), wk = 0.0034130 k( 163) = ( 0.1037580 -0.0066552 -0.1104260), wk = 0.0034130 k( 164) = ( 0.1131906 -0.0072602 -0.1204648), wk = 0.0034130 k( 165) = ( 0.1226231 -0.0078652 -0.1305035), wk = 0.0034130 k( 166) = ( 0.1320557 -0.0084702 -0.1405422), wk = 0.0034130 k( 167) = ( 0.1414882 -0.0090752 -0.1505810), wk = 0.0034130 k( 168) = ( 0.1509207 -0.0096803 -0.1606197), wk = 0.0034130 k( 169) = ( 0.1603533 -0.0102853 -0.1706584), wk = 0.0034130 k( 170) = ( 0.1697858 -0.0108903 -0.1806972), wk = 0.0034130 k( 171) = ( 0.1792184 -0.0114953 -0.1907359), wk = 0.0034130 k( 172) = ( 0.1886509 -0.0121003 -0.2007746), wk = 0.0034130 k( 173) = ( 0.1980835 -0.0127053 -0.2108134), wk = 0.0034130 k( 174) = ( 0.2075160 -0.0133104 -0.2208521), wk = 0.0034130 k( 175) = ( 0.2169486 -0.0139154 -0.2308908), wk = 0.0034130 k( 176) = ( 0.2263811 -0.0145204 -0.2409296), wk = 0.0034130 k( 177) = ( 0.2358137 -0.0151254 -0.2509683), wk = 0.0034130 k( 178) = ( 0.2452462 -0.0157304 -0.2610070), wk = 0.0034130 k( 179) = ( 0.2546788 -0.0163354 -0.2710457), wk = 0.0034130 k( 180) = ( 0.2641113 -0.0169405 -0.2810845), wk = 0.0034130 k( 181) = ( 0.2735439 -0.0175455 -0.2911232), wk = 0.0034130 k( 182) = ( 0.2829764 -0.0181505 -0.3011619), wk = 0.0034130 k( 183) = ( 0.2924090 -0.0187555 -0.3112007), wk = 0.0034130 k( 184) = ( 0.3018415 -0.0193605 -0.3212394), wk = 0.0034130 k( 185) = ( 0.3112741 -0.0199655 -0.3312781), wk = 0.0034130 k( 186) = ( 0.3207066 -0.0205705 -0.3413169), wk = 0.0034130 k( 187) = ( 0.3301391 -0.0211756 -0.3513556), wk = 0.0034130 k( 188) = ( 0.3395717 -0.0217806 -0.3613943), wk = 0.0034130 k( 189) = ( 0.3490042 -0.0223856 -0.3714331), wk = 0.0034130 k( 190) = ( 0.3584368 -0.0229906 -0.3814718), wk = 0.0034130 k( 191) = ( 0.3678693 -0.0235956 -0.3915105), wk = 0.0034130 k( 192) = ( 0.3773019 -0.0242006 -0.4015493), wk = 0.0034130 k( 193) = ( 0.3867344 -0.0248057 -0.4115880), wk = 0.0034130 k( 194) = ( 0.3961670 -0.0254107 -0.4216267), wk = 0.0034130 k( 195) = ( 0.4055995 -0.0260157 -0.4316655), wk = 0.0034130 k( 196) = ( 0.4150321 -0.0266207 -0.4417042), wk = 0.0034130 k( 197) = ( 0.4244646 -0.0272257 -0.4517429), wk = 0.0034130 k( 198) = ( 0.4338972 -0.0278307 -0.4617817), wk = 0.0034130 k( 199) = ( 0.4433297 -0.0284358 -0.4718204), wk = 0.0034130 k( 200) = ( 0.4527623 -0.0290408 -0.4818591), wk = 0.0034130 k( 201) = ( 0.4621948 -0.0296458 -0.4918978), wk = 0.0034130 k( 202) = ( 0.4716274 -0.0302508 -0.5019366), wk = 0.0034130 k( 203) = ( 0.5283726 0.4387060 -0.0603920), wk = 0.0034130 k( 204) = ( 0.5189151 0.4487896 -0.0603920), wk = 0.0034130 k( 205) = ( 0.5094576 0.4588732 -0.0603920), wk = 0.0034130 k( 206) = ( 0.5000000 0.4689568 -0.0603920), wk = 0.0034130 k( 207) = ( 0.5000000 0.4689568 -0.0603920), wk = 0.0034130 k( 208) = ( 0.5008866 0.4697884 -0.0465938), wk = 0.0034130 k( 209) = ( 0.5017733 0.4706200 -0.0327955), wk = 0.0034130 k( 210) = ( 0.5026599 0.4714516 -0.0189972), wk = 0.0034130 k( 211) = ( 0.5035466 0.4722832 -0.0051990), wk = 0.0034130 k( 212) = ( 0.5044332 0.4731148 0.0085993), wk = 0.0034130 k( 213) = ( 0.5053199 0.4739464 0.0223976), wk = 0.0034130 k( 214) = ( 0.5062065 0.4747780 0.0361958), wk = 0.0034130 k( 215) = ( 0.5070932 0.4756096 0.0499941), wk = 0.0034130 k( 216) = ( 0.5079798 0.4764412 0.0637924), wk = 0.0034130 k( 217) = ( 0.5088664 0.4772728 0.0775906), wk = 0.0034130 k( 218) = ( 0.5097531 0.4781044 0.0913889), wk = 0.0034130 k( 219) = ( 0.5106397 0.4789360 0.1051872), wk = 0.0034130 k( 220) = ( 0.5115264 0.4797676 0.1189854), wk = 0.0034130 k( 221) = ( 0.5124130 0.4805992 0.1327837), wk = 0.0034130 k( 222) = ( 0.5132997 0.4814308 0.1465820), wk = 0.0034130 k( 223) = ( 0.5141863 0.4822624 0.1603802), wk = 0.0034130 k( 224) = ( 0.5150730 0.4830940 0.1741785), wk = 0.0034130 k( 225) = ( 0.5159596 0.4839255 0.1879768), wk = 0.0034130 k( 226) = ( 0.5168463 0.4847571 0.2017750), wk = 0.0034130 k( 227) = ( 0.5177329 0.4855887 0.2155733), wk = 0.0034130 k( 228) = ( 0.5186196 0.4864203 0.2293716), wk = 0.0034130 k( 229) = ( 0.5195062 0.4872519 0.2431698), wk = 0.0034130 k( 230) = ( 0.5203928 0.4880835 0.2569681), wk = 0.0034130 k( 231) = ( 0.5212795 0.4889151 0.2707664), wk = 0.0034130 k( 232) = ( 0.5221661 0.4897467 0.2845646), wk = 0.0034130 k( 233) = ( 0.5230528 0.4905783 0.2983629), wk = 0.0034130 k( 234) = ( 0.5239394 0.4914099 0.3121612), wk = 0.0034130 k( 235) = ( 0.5248261 0.4922415 0.3259595), wk = 0.0034130 k( 236) = ( 0.5257127 0.4930731 0.3397577), wk = 0.0034130 k( 237) = ( 0.5265994 0.4939047 0.3535560), wk = 0.0034130 k( 238) = ( 0.5274860 0.4947363 0.3673543), wk = 0.0034130 k( 239) = ( 0.5283726 0.4955679 0.3811525), wk = 0.0034130 k( 240) = ( 0.5283726 0.4955679 0.3811525), wk = 0.0034130 k( 241) = ( 0.5236439 0.4911327 0.3912179), wk = 0.0034130 k( 242) = ( 0.5189151 0.4866975 0.4012832), wk = 0.0034130 k( 243) = ( 0.5141863 0.4822624 0.4113485), wk = 0.0034130 k( 244) = ( 0.5094576 0.4778272 0.4214139), wk = 0.0034130 k( 245) = ( 0.5047288 0.4733920 0.4314792), wk = 0.0034130 k( 246) = ( 0.5000000 0.4689568 0.4415445), wk = 0.0034130 k( 247) = ( 0.5000000 -0.0320707 -0.0301960), wk = 0.0034130 k( 248) = ( 0.5012336 -0.0218759 -0.0205972), wk = 0.0034130 k( 249) = ( 0.5024672 -0.0116812 -0.0109984), wk = 0.0034130 k( 250) = ( 0.5037008 -0.0014865 -0.0013996), wk = 0.0034130 k( 251) = ( 0.5049344 0.0087082 0.0081992), wk = 0.0034130 k( 252) = ( 0.5061680 0.0189029 0.0177980), wk = 0.0034130 k( 253) = ( 0.5074016 0.0290976 0.0273967), wk = 0.0034130 k( 254) = ( 0.5086352 0.0392923 0.0369955), wk = 0.0034130 k( 255) = ( 0.5098687 0.0494870 0.0465943), wk = 0.0034130 k( 256) = ( 0.5111023 0.0596818 0.0561931), wk = 0.0034130 k( 257) = ( 0.5123359 0.0698765 0.0657919), wk = 0.0034130 k( 258) = ( 0.5135695 0.0800712 0.0753907), wk = 0.0034130 k( 259) = ( 0.5148031 0.0902659 0.0849895), wk = 0.0034130 k( 260) = ( 0.5160367 0.1004606 0.0945883), wk = 0.0034130 k( 261) = ( 0.5172703 0.1106553 0.1041871), wk = 0.0034130 k( 262) = ( 0.5185039 0.1208500 0.1137859), wk = 0.0034130 k( 263) = ( 0.5197375 0.1310447 0.1233847), wk = 0.0034130 k( 264) = ( 0.5209711 0.1412395 0.1329835), wk = 0.0034130 k( 265) = ( 0.5222047 0.1514342 0.1425823), wk = 0.0034130 k( 266) = ( 0.5234383 0.1616289 0.1521811), wk = 0.0034130 k( 267) = ( 0.5246719 0.1718236 0.1617799), wk = 0.0034130 k( 268) = ( 0.5259055 0.1820183 0.1713787), wk = 0.0034130 k( 269) = ( 0.5271391 0.1922130 0.1809775), wk = 0.0034130 k( 270) = ( 0.5283726 0.2024077 0.1905763), wk = 0.0034130 k( 271) = ( 0.5296062 0.2126025 0.2001751), wk = 0.0034130 k( 272) = ( 0.5308398 0.2227972 0.2097739), wk = 0.0034130 k( 273) = ( 0.5320734 0.2329919 0.2193726), wk = 0.0034130 k( 274) = ( 0.5333070 0.2431866 0.2289714), wk = 0.0034130 k( 275) = ( 0.5345406 0.2533813 0.2385702), wk = 0.0034130 k( 276) = ( 0.5357742 0.2635760 0.2481690), wk = 0.0034130 k( 277) = ( 0.5370078 0.2737707 0.2577678), wk = 0.0034130 k( 278) = ( 0.5382414 0.2839654 0.2673666), wk = 0.0034130 k( 279) = ( 0.5394750 0.2941602 0.2769654), wk = 0.0034130 k( 280) = ( 0.5407086 0.3043549 0.2865642), wk = 0.0034130 k( 281) = ( 0.5419422 0.3145496 0.2961630), wk = 0.0034130 k( 282) = ( 0.5431758 0.3247443 0.3057618), wk = 0.0034130 k( 283) = ( 0.5444094 0.3349390 0.3153606), wk = 0.0034130 k( 284) = ( 0.5456429 0.3451337 0.3249594), wk = 0.0034130 k( 285) = ( 0.5468765 0.3553284 0.3345582), wk = 0.0034130 k( 286) = ( 0.5481101 0.3655232 0.3441570), wk = 0.0034130 k( 287) = ( 0.5493437 0.3757179 0.3537558), wk = 0.0034130 k( 288) = ( 0.5505773 0.3859126 0.3633546), wk = 0.0034130 k( 289) = ( 0.5518109 0.3961073 0.3729533), wk = 0.0034130 k( 290) = ( 0.5530445 0.4063020 0.3825521), wk = 0.0034130 k( 291) = ( 0.5542781 0.4164967 0.3921509), wk = 0.0034130 k( 292) = ( 0.5555117 0.4266914 0.4017497), wk = 0.0034130 k( 293) = ( 0.5567453 0.4368861 0.4113485), wk = 0.0034130 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034130 k( 2) = ( 0.0138889 0.0000000 0.0000000), wk = 0.0034130 k( 3) = ( 0.0277778 0.0000000 0.0000000), wk = 0.0034130 k( 4) = ( 0.0416667 0.0000000 0.0000000), wk = 0.0034130 k( 5) = ( 0.0555556 0.0000000 0.0000000), wk = 0.0034130 k( 6) = ( 0.0694444 0.0000000 0.0000000), wk = 0.0034130 k( 7) = ( 0.0833333 0.0000000 0.0000000), wk = 0.0034130 k( 8) = ( 0.0972222 0.0000000 0.0000000), wk = 0.0034130 k( 9) = ( 0.1111111 0.0000000 0.0000000), wk = 0.0034130 k( 10) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0034130 k( 11) = ( 0.1388889 0.0000000 0.0000000), wk = 0.0034130 k( 12) = ( 0.1527778 0.0000000 0.0000000), wk = 0.0034130 k( 13) = ( 0.1666667 0.0000000 0.0000000), wk = 0.0034130 k( 14) = ( 0.1805556 0.0000000 0.0000000), wk = 0.0034130 k( 15) = ( 0.1944444 0.0000000 0.0000000), wk = 0.0034130 k( 16) = ( 0.2083333 0.0000000 0.0000000), wk = 0.0034130 k( 17) = ( 0.2222222 0.0000000 0.0000000), wk = 0.0034130 k( 18) = ( 0.2361111 0.0000000 0.0000000), wk = 0.0034130 k( 19) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0034130 k( 20) = ( 0.2638889 0.0000000 0.0000000), wk = 0.0034130 k( 21) = ( 0.2777778 0.0000000 0.0000000), wk = 0.0034130 k( 22) = ( 0.2916667 0.0000000 0.0000000), wk = 0.0034130 k( 23) = ( 0.3055556 0.0000000 0.0000000), wk = 0.0034130 k( 24) = ( 0.3194444 0.0000000 0.0000000), wk = 0.0034130 k( 25) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0034130 k( 26) = ( 0.3472222 0.0000000 0.0000000), wk = 0.0034130 k( 27) = ( 0.3611111 0.0000000 0.0000000), wk = 0.0034130 k( 28) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0034130 k( 29) = ( 0.3888889 0.0000000 0.0000000), wk = 0.0034130 k( 30) = ( 0.4027778 0.0000000 0.0000000), wk = 0.0034130 k( 31) = ( 0.4166667 0.0000000 0.0000000), wk = 0.0034130 k( 32) = ( 0.4305556 0.0000000 0.0000000), wk = 0.0034130 k( 33) = ( 0.4444444 0.0000000 0.0000000), wk = 0.0034130 k( 34) = ( 0.4583333 0.0000000 0.0000000), wk = 0.0034130 k( 35) = ( 0.4722222 0.0000000 0.0000000), wk = 0.0034130 k( 36) = ( 0.4861111 0.0000000 0.0000000), wk = 0.0034130 k( 37) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034130 k( 38) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034130 k( 39) = ( 0.5000000 0.0094310 -0.0094309), wk = 0.0034130 k( 40) = ( 0.5000000 0.0188619 -0.0188619), wk = 0.0034130 k( 41) = ( 0.5000000 0.0282929 -0.0282928), wk = 0.0034130 k( 42) = ( 0.5000000 0.0377238 -0.0377238), wk = 0.0034130 k( 43) = ( 0.5000000 0.0471548 -0.0471548), wk = 0.0034130 k( 44) = ( 0.5000000 0.0565857 -0.0565857), wk = 0.0034130 k( 45) = ( 0.5000000 0.0660167 -0.0660167), wk = 0.0034130 k( 46) = ( 0.5000000 0.0754476 -0.0754476), wk = 0.0034130 k( 47) = ( 0.5000000 0.0848786 -0.0848786), wk = 0.0034130 k( 48) = ( 0.5000000 0.0943095 -0.0943095), wk = 0.0034130 k( 49) = ( 0.5000000 0.1037405 -0.1037405), wk = 0.0034130 k( 50) = ( 0.5000000 0.1131714 -0.1131714), wk = 0.0034130 k( 51) = ( 0.5000000 0.1226024 -0.1226024), wk = 0.0034130 k( 52) = ( 0.5000000 0.1320333 -0.1320333), wk = 0.0034130 k( 53) = ( 0.5000000 0.1414643 -0.1414643), wk = 0.0034130 k( 54) = ( 0.5000000 0.1508952 -0.1508952), wk = 0.0034130 k( 55) = ( 0.5000000 0.1603262 -0.1603262), wk = 0.0034130 k( 56) = ( 0.5000000 0.1697571 -0.1697571), wk = 0.0034130 k( 57) = ( 0.5000000 0.1791881 -0.1791881), wk = 0.0034130 k( 58) = ( 0.5000000 0.1886190 -0.1886190), wk = 0.0034130 k( 59) = ( 0.5000000 0.1980500 -0.1980500), wk = 0.0034130 k( 60) = ( 0.5000000 0.2074809 -0.2074809), wk = 0.0034130 k( 61) = ( 0.5000000 0.2169119 -0.2169119), wk = 0.0034130 k( 62) = ( 0.5000000 0.2263428 -0.2263428), wk = 0.0034130 k( 63) = ( 0.5000000 0.2357738 -0.2357738), wk = 0.0034130 k( 64) = ( 0.5000000 0.2452047 -0.2452047), wk = 0.0034130 k( 65) = ( 0.5000000 0.2546357 -0.2546357), wk = 0.0034130 k( 66) = ( 0.5000000 0.2640666 -0.2640666), wk = 0.0034130 k( 67) = ( 0.5000000 0.2734976 -0.2734976), wk = 0.0034130 k( 68) = ( 0.5000000 0.2829285 -0.2829285), wk = 0.0034130 k( 69) = ( 0.5000000 0.2923595 -0.2923595), wk = 0.0034130 k( 70) = ( 0.5000000 0.3017904 -0.3017904), wk = 0.0034130 k( 71) = ( 0.5000000 0.3112214 -0.3112214), wk = 0.0034130 k( 72) = ( 0.5000000 0.3206524 -0.3206523), wk = 0.0034130 k( 73) = ( 0.5000000 0.3300833 -0.3300833), wk = 0.0034130 k( 74) = ( 0.5000000 0.3395143 -0.3395142), wk = 0.0034130 k( 75) = ( 0.5000000 0.3489452 -0.3489452), wk = 0.0034130 k( 76) = ( 0.5000000 0.3583762 -0.3583762), wk = 0.0034130 k( 77) = ( 0.5000000 0.3678071 -0.3678071), wk = 0.0034130 k( 78) = ( 0.5000000 0.3772381 -0.3772381), wk = 0.0034130 k( 79) = ( 0.5000000 0.3866690 -0.3866690), wk = 0.0034130 k( 80) = ( 0.5000000 0.3961000 -0.3961000), wk = 0.0034130 k( 81) = ( 0.5000000 0.4055309 -0.4055309), wk = 0.0034130 k( 82) = ( 0.5000000 0.4149619 -0.4149619), wk = 0.0034130 k( 83) = ( 0.5000000 0.4243928 -0.4243928), wk = 0.0034130 k( 84) = ( 0.5000000 0.4338238 -0.4338238), wk = 0.0034130 k( 85) = ( 0.5000000 0.4432547 -0.4432547), wk = 0.0034130 k( 86) = ( 0.5567453 0.5000000 0.4432547), wk = 0.0034130 k( 87) = ( 0.5472877 0.5000000 0.4527123), wk = 0.0034130 k( 88) = ( 0.5378302 0.5000000 0.4621698), wk = 0.0034130 k( 89) = ( 0.5283726 0.5000000 0.4716274), wk = 0.0034130 k( 90) = ( 0.5189151 0.5000000 0.4810849), wk = 0.0034130 k( 91) = ( 0.5094576 0.5000000 0.4905424), wk = 0.0034130 k( 92) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034130 k( 93) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034130 k( 94) = ( 0.4913793 0.4913793 0.4913793), wk = 0.0034130 k( 95) = ( 0.4827586 0.4827586 0.4827586), wk = 0.0034130 k( 96) = ( 0.4741379 0.4741379 0.4741379), wk = 0.0034130 k( 97) = ( 0.4655172 0.4655172 0.4655172), wk = 0.0034130 k( 98) = ( 0.4568966 0.4568966 0.4568965), wk = 0.0034130 k( 99) = ( 0.4482759 0.4482759 0.4482759), wk = 0.0034130 k( 100) = ( 0.4396552 0.4396552 0.4396552), wk = 0.0034130 k( 101) = ( 0.4310345 0.4310345 0.4310345), wk = 0.0034130 k( 102) = ( 0.4224138 0.4224138 0.4224138), wk = 0.0034130 k( 103) = ( 0.4137931 0.4137931 0.4137931), wk = 0.0034130 k( 104) = ( 0.4051724 0.4051724 0.4051724), wk = 0.0034130 k( 105) = ( 0.3965517 0.3965517 0.3965517), wk = 0.0034130 k( 106) = ( 0.3879310 0.3879310 0.3879310), wk = 0.0034130 k( 107) = ( 0.3793103 0.3793103 0.3793103), wk = 0.0034130 k( 108) = ( 0.3706897 0.3706897 0.3706897), wk = 0.0034130 k( 109) = ( 0.3620690 0.3620690 0.3620690), wk = 0.0034130 k( 110) = ( 0.3534483 0.3534483 0.3534483), wk = 0.0034130 k( 111) = ( 0.3448276 0.3448276 0.3448276), wk = 0.0034130 k( 112) = ( 0.3362069 0.3362069 0.3362069), wk = 0.0034130 k( 113) = ( 0.3275862 0.3275862 0.3275862), wk = 0.0034130 k( 114) = ( 0.3189655 0.3189655 0.3189655), wk = 0.0034130 k( 115) = ( 0.3103448 0.3103448 0.3103448), wk = 0.0034130 k( 116) = ( 0.3017241 0.3017241 0.3017241), wk = 0.0034130 k( 117) = ( 0.2931034 0.2931034 0.2931034), wk = 0.0034130 k( 118) = ( 0.2844828 0.2844828 0.2844828), wk = 0.0034130 k( 119) = ( 0.2758621 0.2758621 0.2758621), wk = 0.0034130 k( 120) = ( 0.2672414 0.2672414 0.2672414), wk = 0.0034130 k( 121) = ( 0.2586207 0.2586207 0.2586207), wk = 0.0034130 k( 122) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0034130 k( 123) = ( 0.2413793 0.2413793 0.2413793), wk = 0.0034130 k( 124) = ( 0.2327586 0.2327586 0.2327586), wk = 0.0034130 k( 125) = ( 0.2241379 0.2241379 0.2241379), wk = 0.0034130 k( 126) = ( 0.2155172 0.2155172 0.2155172), wk = 0.0034130 k( 127) = ( 0.2068966 0.2068966 0.2068966), wk = 0.0034130 k( 128) = ( 0.1982759 0.1982759 0.1982759), wk = 0.0034130 k( 129) = ( 0.1896552 0.1896552 0.1896552), wk = 0.0034130 k( 130) = ( 0.1810345 0.1810345 0.1810345), wk = 0.0034130 k( 131) = ( 0.1724138 0.1724138 0.1724138), wk = 0.0034130 k( 132) = ( 0.1637931 0.1637931 0.1637931), wk = 0.0034130 k( 133) = ( 0.1551724 0.1551724 0.1551724), wk = 0.0034130 k( 134) = ( 0.1465517 0.1465517 0.1465517), wk = 0.0034130 k( 135) = ( 0.1379310 0.1379310 0.1379310), wk = 0.0034130 k( 136) = ( 0.1293103 0.1293103 0.1293103), wk = 0.0034130 k( 137) = ( 0.1206897 0.1206897 0.1206897), wk = 0.0034130 k( 138) = ( 0.1120690 0.1120690 0.1120690), wk = 0.0034130 k( 139) = ( 0.1034483 0.1034483 0.1034483), wk = 0.0034130 k( 140) = ( 0.0948276 0.0948276 0.0948276), wk = 0.0034130 k( 141) = ( 0.0862069 0.0862069 0.0862069), wk = 0.0034130 k( 142) = ( 0.0775862 0.0775862 0.0775862), wk = 0.0034130 k( 143) = ( 0.0689655 0.0689655 0.0689655), wk = 0.0034130 k( 144) = ( 0.0603448 0.0603448 0.0603448), wk = 0.0034130 k( 145) = ( 0.0517241 0.0517241 0.0517241), wk = 0.0034130 k( 146) = ( 0.0431035 0.0431035 0.0431034), wk = 0.0034130 k( 147) = ( 0.0344828 0.0344828 0.0344828), wk = 0.0034130 k( 148) = ( 0.0258621 0.0258621 0.0258621), wk = 0.0034130 k( 149) = ( 0.0172414 0.0172414 0.0172414), wk = 0.0034130 k( 150) = ( 0.0086207 0.0086207 0.0086207), wk = 0.0034130 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034130 k( 152) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034130 k( 153) = ( 0.0094325 0.0000000 -0.0094325), wk = 0.0034130 k( 154) = ( 0.0188651 0.0000000 -0.0188651), wk = 0.0034130 k( 155) = ( 0.0282976 0.0000000 -0.0282976), wk = 0.0034130 k( 156) = ( 0.0377302 0.0000000 -0.0377302), wk = 0.0034130 k( 157) = ( 0.0471627 0.0000000 -0.0471627), wk = 0.0034130 k( 158) = ( 0.0565953 0.0000000 -0.0565953), wk = 0.0034130 k( 159) = ( 0.0660278 0.0000000 -0.0660278), wk = 0.0034130 k( 160) = ( 0.0754604 0.0000000 -0.0754604), wk = 0.0034130 k( 161) = ( 0.0848929 0.0000000 -0.0848929), wk = 0.0034130 k( 162) = ( 0.0943255 0.0000000 -0.0943255), wk = 0.0034130 k( 163) = ( 0.1037580 0.0000000 -0.1037580), wk = 0.0034130 k( 164) = ( 0.1131906 0.0000000 -0.1131906), wk = 0.0034130 k( 165) = ( 0.1226231 0.0000000 -0.1226231), wk = 0.0034130 k( 166) = ( 0.1320557 0.0000000 -0.1320557), wk = 0.0034130 k( 167) = ( 0.1414882 0.0000000 -0.1414882), wk = 0.0034130 k( 168) = ( 0.1509207 0.0000000 -0.1509207), wk = 0.0034130 k( 169) = ( 0.1603533 0.0000000 -0.1603533), wk = 0.0034130 k( 170) = ( 0.1697858 -0.0000000 -0.1697858), wk = 0.0034130 k( 171) = ( 0.1792184 0.0000000 -0.1792184), wk = 0.0034130 k( 172) = ( 0.1886509 0.0000000 -0.1886509), wk = 0.0034130 k( 173) = ( 0.1980835 0.0000000 -0.1980835), wk = 0.0034130 k( 174) = ( 0.2075160 0.0000000 -0.2075160), wk = 0.0034130 k( 175) = ( 0.2169486 0.0000000 -0.2169486), wk = 0.0034130 k( 176) = ( 0.2263811 0.0000000 -0.2263811), wk = 0.0034130 k( 177) = ( 0.2358137 0.0000000 -0.2358137), wk = 0.0034130 k( 178) = ( 0.2452462 0.0000000 -0.2452462), wk = 0.0034130 k( 179) = ( 0.2546788 0.0000000 -0.2546788), wk = 0.0034130 k( 180) = ( 0.2641113 0.0000000 -0.2641113), wk = 0.0034130 k( 181) = ( 0.2735439 0.0000000 -0.2735439), wk = 0.0034130 k( 182) = ( 0.2829764 0.0000000 -0.2829764), wk = 0.0034130 k( 183) = ( 0.2924090 0.0000000 -0.2924090), wk = 0.0034130 k( 184) = ( 0.3018415 0.0000000 -0.3018415), wk = 0.0034130 k( 185) = ( 0.3112741 0.0000000 -0.3112741), wk = 0.0034130 k( 186) = ( 0.3207066 0.0000000 -0.3207066), wk = 0.0034130 k( 187) = ( 0.3301391 0.0000000 -0.3301391), wk = 0.0034130 k( 188) = ( 0.3395717 -0.0000000 -0.3395717), wk = 0.0034130 k( 189) = ( 0.3490042 0.0000000 -0.3490042), wk = 0.0034130 k( 190) = ( 0.3584368 0.0000000 -0.3584368), wk = 0.0034130 k( 191) = ( 0.3678693 0.0000000 -0.3678693), wk = 0.0034130 k( 192) = ( 0.3773019 0.0000000 -0.3773019), wk = 0.0034130 k( 193) = ( 0.3867344 0.0000000 -0.3867344), wk = 0.0034130 k( 194) = ( 0.3961670 0.0000000 -0.3961670), wk = 0.0034130 k( 195) = ( 0.4055995 0.0000000 -0.4055995), wk = 0.0034130 k( 196) = ( 0.4150321 0.0000000 -0.4150321), wk = 0.0034130 k( 197) = ( 0.4244646 0.0000000 -0.4244646), wk = 0.0034130 k( 198) = ( 0.4338972 0.0000000 -0.4338972), wk = 0.0034130 k( 199) = ( 0.4433297 0.0000000 -0.4433297), wk = 0.0034130 k( 200) = ( 0.4527623 0.0000000 -0.4527623), wk = 0.0034130 k( 201) = ( 0.4621948 0.0000000 -0.4621948), wk = 0.0034130 k( 202) = ( 0.4716274 0.0000000 -0.4716274), wk = 0.0034130 k( 203) = ( 0.5283726 0.4716274 0.0000000), wk = 0.0034130 k( 204) = ( 0.5189151 0.4810849 0.0000000), wk = 0.0034130 k( 205) = ( 0.5094576 0.4905425 0.0000000), wk = 0.0034130 k( 206) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0034130 k( 207) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0034130 k( 208) = ( 0.5008866 0.5008866 0.0138517), wk = 0.0034130 k( 209) = ( 0.5017733 0.5017733 0.0277034), wk = 0.0034130 k( 210) = ( 0.5026599 0.5026599 0.0415551), wk = 0.0034130 k( 211) = ( 0.5035466 0.5035466 0.0554068), wk = 0.0034130 k( 212) = ( 0.5044332 0.5044332 0.0692586), wk = 0.0034130 k( 213) = ( 0.5053199 0.5053199 0.0831103), wk = 0.0034130 k( 214) = ( 0.5062065 0.5062065 0.0969620), wk = 0.0034130 k( 215) = ( 0.5070932 0.5070932 0.1108137), wk = 0.0034130 k( 216) = ( 0.5079798 0.5079798 0.1246654), wk = 0.0034130 k( 217) = ( 0.5088664 0.5088664 0.1385171), wk = 0.0034130 k( 218) = ( 0.5097531 0.5097531 0.1523688), wk = 0.0034130 k( 219) = ( 0.5106397 0.5106397 0.1662205), wk = 0.0034130 k( 220) = ( 0.5115264 0.5115264 0.1800722), wk = 0.0034130 k( 221) = ( 0.5124130 0.5124130 0.1939239), wk = 0.0034130 k( 222) = ( 0.5132997 0.5132997 0.2077756), wk = 0.0034130 k( 223) = ( 0.5141863 0.5141863 0.2216274), wk = 0.0034130 k( 224) = ( 0.5150730 0.5150730 0.2354791), wk = 0.0034130 k( 225) = ( 0.5159596 0.5159596 0.2493308), wk = 0.0034130 k( 226) = ( 0.5168463 0.5168463 0.2631825), wk = 0.0034130 k( 227) = ( 0.5177329 0.5177329 0.2770342), wk = 0.0034130 k( 228) = ( 0.5186196 0.5186195 0.2908859), wk = 0.0034130 k( 229) = ( 0.5195062 0.5195062 0.3047376), wk = 0.0034130 k( 230) = ( 0.5203928 0.5203928 0.3185893), wk = 0.0034130 k( 231) = ( 0.5212795 0.5212795 0.3324410), wk = 0.0034130 k( 232) = ( 0.5221661 0.5221661 0.3462927), wk = 0.0034130 k( 233) = ( 0.5230528 0.5230528 0.3601445), wk = 0.0034130 k( 234) = ( 0.5239394 0.5239394 0.3739962), wk = 0.0034130 k( 235) = ( 0.5248261 0.5248261 0.3878479), wk = 0.0034130 k( 236) = ( 0.5257127 0.5257127 0.4016996), wk = 0.0034130 k( 237) = ( 0.5265994 0.5265994 0.4155513), wk = 0.0034130 k( 238) = ( 0.5274860 0.5274860 0.4294030), wk = 0.0034130 k( 239) = ( 0.5283726 0.5283726 0.4432547), wk = 0.0034130 k( 240) = ( 0.5283726 0.5283726 0.4432547), wk = 0.0034130 k( 241) = ( 0.5236439 0.5236439 0.4527123), wk = 0.0034130 k( 242) = ( 0.5189151 0.5189151 0.4621698), wk = 0.0034130 k( 243) = ( 0.5141863 0.5141863 0.4716274), wk = 0.0034130 k( 244) = ( 0.5094576 0.5094576 0.4810849), wk = 0.0034130 k( 245) = ( 0.5047288 0.5047288 0.4905424), wk = 0.0034130 k( 246) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034130 k( 247) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034130 k( 248) = ( 0.5012336 0.0102528 0.0102528), wk = 0.0034130 k( 249) = ( 0.5024672 0.0205055 0.0205055), wk = 0.0034130 k( 250) = ( 0.5037008 0.0307583 0.0307583), wk = 0.0034130 k( 251) = ( 0.5049344 0.0410111 0.0410111), wk = 0.0034130 k( 252) = ( 0.5061680 0.0512638 0.0512638), wk = 0.0034130 k( 253) = ( 0.5074016 0.0615166 0.0615166), wk = 0.0034130 k( 254) = ( 0.5086352 0.0717694 0.0717694), wk = 0.0034130 k( 255) = ( 0.5098687 0.0820222 0.0820222), wk = 0.0034130 k( 256) = ( 0.5111023 0.0922749 0.0922749), wk = 0.0034130 k( 257) = ( 0.5123359 0.1025277 0.1025277), wk = 0.0034130 k( 258) = ( 0.5135695 0.1127805 0.1127805), wk = 0.0034130 k( 259) = ( 0.5148031 0.1230332 0.1230332), wk = 0.0034130 k( 260) = ( 0.5160367 0.1332860 0.1332860), wk = 0.0034130 k( 261) = ( 0.5172703 0.1435388 0.1435388), wk = 0.0034130 k( 262) = ( 0.5185039 0.1537915 0.1537915), wk = 0.0034130 k( 263) = ( 0.5197375 0.1640443 0.1640443), wk = 0.0034130 k( 264) = ( 0.5209711 0.1742971 0.1742971), wk = 0.0034130 k( 265) = ( 0.5222047 0.1845498 0.1845498), wk = 0.0034130 k( 266) = ( 0.5234383 0.1948026 0.1948026), wk = 0.0034130 k( 267) = ( 0.5246719 0.2050554 0.2050554), wk = 0.0034130 k( 268) = ( 0.5259055 0.2153081 0.2153081), wk = 0.0034130 k( 269) = ( 0.5271391 0.2255609 0.2255609), wk = 0.0034130 k( 270) = ( 0.5283726 0.2358137 0.2358137), wk = 0.0034130 k( 271) = ( 0.5296062 0.2460664 0.2460664), wk = 0.0034130 k( 272) = ( 0.5308398 0.2563192 0.2563192), wk = 0.0034130 k( 273) = ( 0.5320734 0.2665720 0.2665720), wk = 0.0034130 k( 274) = ( 0.5333070 0.2768248 0.2768248), wk = 0.0034130 k( 275) = ( 0.5345406 0.2870775 0.2870775), wk = 0.0034130 k( 276) = ( 0.5357742 0.2973303 0.2973303), wk = 0.0034130 k( 277) = ( 0.5370078 0.3075831 0.3075831), wk = 0.0034130 k( 278) = ( 0.5382414 0.3178358 0.3178358), wk = 0.0034130 k( 279) = ( 0.5394750 0.3280886 0.3280886), wk = 0.0034130 k( 280) = ( 0.5407086 0.3383414 0.3383414), wk = 0.0034130 k( 281) = ( 0.5419422 0.3485941 0.3485941), wk = 0.0034130 k( 282) = ( 0.5431758 0.3588469 0.3588469), wk = 0.0034130 k( 283) = ( 0.5444094 0.3690997 0.3690997), wk = 0.0034130 k( 284) = ( 0.5456429 0.3793524 0.3793524), wk = 0.0034130 k( 285) = ( 0.5468765 0.3896052 0.3896052), wk = 0.0034130 k( 286) = ( 0.5481101 0.3998580 0.3998580), wk = 0.0034130 k( 287) = ( 0.5493437 0.4101108 0.4101108), wk = 0.0034130 k( 288) = ( 0.5505773 0.4203635 0.4203635), wk = 0.0034130 k( 289) = ( 0.5518109 0.4306163 0.4306163), wk = 0.0034130 k( 290) = ( 0.5530445 0.4408690 0.4408690), wk = 0.0034130 k( 291) = ( 0.5542781 0.4511218 0.4511218), wk = 0.0034130 k( 292) = ( 0.5555117 0.4613746 0.4613746), wk = 0.0034130 k( 293) = ( 0.5567453 0.4716274 0.4716274), wk = 0.0034130 Dense grid: 56969 G-vectors FFT dimensions: ( 48, 48, 48) Smooth grid: 25151 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.10 Mb ( 136, 46) NL pseudopotentials 0.11 Mb ( 68, 110) Each V/rho on FFT grid 0.04 Mb ( 2304) Each G-vector array 0.01 Mb ( 1186) G-vector shells 0.01 Mb ( 1014) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.38 Mb ( 136, 184) Each subspace H/S matrix 0.52 Mb ( 184, 184) Each matrix 0.15 Mb ( 110, 2, 46) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./TlClO3.save/charge-density.dat Starting wfc are 50 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 43.4 secs Computing kpt #: 2 total cpu time spent up to now is 45.1 secs Computing kpt #: 3 total cpu time spent up to now is 46.9 secs Computing kpt #: 4 total cpu time spent up to now is 48.5 secs Computing kpt #: 5 total cpu time spent up to now is 50.1 secs Computing kpt #: 6 total cpu time spent up to now is 52.0 secs Computing kpt #: 7 total cpu time spent up to now is 53.7 secs Computing kpt #: 8 total cpu time spent up to now is 55.3 secs Computing kpt #: 9 total cpu time spent up to now is 57.0 secs Computing kpt #: 10 total cpu time spent up to now is 58.6 secs Computing kpt #: 11 total cpu time spent up to now is 60.2 secs Computing kpt #: 12 total cpu time spent up to now is 61.7 secs Computing kpt #: 13 total cpu time spent up to now is 63.3 secs Computing kpt #: 14 total cpu time spent up to now is 64.9 secs Computing kpt #: 15 total cpu time spent up to now is 66.4 secs Computing kpt #: 16 total cpu time spent up to now is 68.0 secs Computing kpt #: 17 total cpu time spent up to now is 69.6 secs Computing kpt #: 18 total cpu time spent up to now is 71.3 secs Computing kpt #: 19 total cpu time spent up to now is 72.8 secs Computing kpt #: 20 total cpu time spent up to now is 74.4 secs Computing kpt #: 21 total cpu time spent up to now is 76.3 secs Computing kpt #: 22 total cpu time spent up to now is 77.9 secs Computing kpt #: 23 total cpu time spent up to now is 79.6 secs Computing kpt #: 24 total cpu time spent up to now is 81.2 secs Computing kpt #: 25 total cpu time spent up to now is 82.9 secs Computing kpt #: 26 total cpu time spent up to now is 84.5 secs Computing kpt #: 27 total cpu time spent up to now is 86.1 secs Computing kpt #: 28 total cpu time spent up to now is 87.5 secs Computing kpt #: 29 total cpu time spent up to now is 89.0 secs Computing kpt #: 30 total cpu time spent up to now is 90.5 secs Computing kpt #: 31 total cpu time spent up to now is 92.1 secs Computing kpt #: 32 total cpu time spent up to now is 93.6 secs Computing kpt #: 33 total cpu time spent up to now is 95.1 secs Computing kpt #: 34 total cpu time spent up to now is 96.8 secs Computing kpt #: 35 total cpu time spent up to now is 98.2 secs Computing kpt #: 36 total cpu time spent up to now is 99.7 secs Computing kpt #: 37 total cpu time spent up to now is 101.1 secs Computing kpt #: 38 total cpu time spent up to now is 102.7 secs Computing kpt #: 39 total cpu time spent up to now is 104.3 secs Computing kpt #: 40 total cpu time spent up to now is 106.0 secs Computing kpt #: 41 total cpu time spent up to now is 107.4 secs Computing kpt #: 42 total cpu time spent up to now is 109.1 secs Computing kpt #: 43 total cpu time spent up to now is 110.6 secs Computing kpt #: 44 total cpu time spent up to now is 112.3 secs Computing kpt #: 45 total cpu time spent up to now is 113.8 secs Computing kpt #: 46 total cpu time spent up to now is 115.5 secs Computing kpt #: 47 total cpu time spent up to now is 117.0 secs Computing kpt #: 48 total cpu time spent up to now is 118.6 secs Computing kpt #: 49 total cpu time spent up to now is 120.2 secs Computing kpt #: 50 total cpu time spent up to now is 121.9 secs Computing kpt #: 51 total cpu time spent up to now is 123.5 secs Computing kpt #: 52 total cpu time spent up to now is 125.2 secs Computing kpt #: 53 total cpu time spent up to now is 126.8 secs Computing kpt #: 54 total cpu time spent up to now is 128.4 secs Computing kpt #: 55 total cpu time spent up to now is 130.1 secs Computing kpt #: 56 total cpu time spent up to now is 131.7 secs Computing kpt #: 57 total cpu time spent up to now is 133.3 secs Computing kpt #: 58 total cpu time spent up to now is 134.9 secs Computing kpt #: 59 total cpu time spent up to now is 136.5 secs Computing kpt #: 60 total cpu time spent up to now is 138.1 secs Computing kpt #: 61 total cpu time spent up to now is 139.7 secs Computing kpt #: 62 total cpu time spent up to now is 141.3 secs Computing kpt #: 63 total cpu time spent up to now is 142.9 secs Computing kpt #: 64 total cpu time spent up to now is 144.5 secs Computing kpt #: 65 total cpu time spent up to now is 146.2 secs Computing kpt #: 66 total cpu time spent up to now is 147.9 secs Computing kpt #: 67 total cpu time spent up to now is 149.5 secs Computing kpt #: 68 total cpu time spent up to now is 151.1 secs Computing kpt #: 69 total cpu time spent up to now is 152.7 secs Computing kpt #: 70 total cpu time spent up to now is 154.4 secs Computing kpt #: 71 total cpu time spent up to now is 156.1 secs Computing kpt #: 72 total cpu time spent up to now is 157.8 secs Computing kpt #: 73 total cpu time spent up to now is 159.4 secs Computing kpt #: 74 total cpu time spent up to now is 161.1 secs Computing kpt #: 75 total cpu time spent up to now is 162.8 secs Computing kpt #: 76 total cpu time spent up to now is 164.4 secs Computing kpt #: 77 total cpu time spent up to now is 166.1 secs Computing kpt #: 78 total cpu time spent up to now is 167.7 secs Computing kpt #: 79 total cpu time spent up to now is 169.3 secs Computing kpt #: 80 total cpu time spent up to now is 170.8 secs Computing kpt #: 81 total cpu time spent up to now is 172.5 secs Computing kpt #: 82 total cpu time spent up to now is 174.1 secs Computing kpt #: 83 total cpu time spent up to now is 175.6 secs Computing kpt #: 84 total cpu time spent up to now is 177.3 secs Computing kpt #: 85 total cpu time spent up to now is 179.0 secs Computing kpt #: 86 total cpu time spent up to now is 180.6 secs Computing kpt #: 87 total cpu time spent up to now is 182.2 secs Computing kpt #: 88 total cpu time spent up to now is 183.8 secs Computing kpt #: 89 total cpu time spent up to now is 185.3 secs Computing kpt #: 90 total cpu time spent up to now is 186.8 secs Computing kpt #: 91 total cpu time spent up to now is 188.4 secs Computing kpt #: 92 total cpu time spent up to now is 189.9 secs Computing kpt #: 93 total cpu time spent up to now is 191.5 secs Computing kpt #: 94 total cpu time spent up to now is 193.0 secs Computing kpt #: 95 total cpu time spent up to now is 194.6 secs Computing kpt #: 96 total cpu time spent up to now is 196.2 secs Computing kpt #: 97 total cpu time spent up to now is 197.7 secs Computing kpt #: 98 total cpu time spent up to now is 199.2 secs Computing kpt #: 99 total cpu time spent up to now is 200.8 secs Computing kpt #: 100 total cpu time spent up to now is 202.4 secs Computing kpt #: 101 total cpu time spent up to now is 204.0 secs Computing kpt #: 102 total cpu time spent up to now is 205.5 secs Computing kpt #: 103 total cpu time spent up to now is 207.1 secs Computing kpt #: 104 total cpu time spent up to now is 208.7 secs Computing kpt #: 105 total cpu time spent up to now is 210.2 secs Computing kpt #: 106 total cpu time spent up to now is 211.8 secs Computing kpt #: 107 total cpu time spent up to now is 213.3 secs Computing kpt #: 108 total cpu time spent up to now is 214.9 secs Computing kpt #: 109 total cpu time spent up to now is 216.5 secs Computing kpt #: 110 total cpu time spent up to now is 218.1 secs Computing kpt #: 111 total cpu time spent up to now is 219.7 secs Computing kpt #: 112 total cpu time spent up to now is 221.3 secs Computing kpt #: 113 total cpu time spent up to now is 222.9 secs Computing kpt #: 114 total cpu time spent up to now is 224.5 secs Computing kpt #: 115 total cpu time spent up to now is 226.1 secs Computing kpt #: 116 total cpu time spent up to now is 227.7 secs Computing kpt #: 117 total cpu time spent up to now is 229.3 secs Computing kpt #: 118 total cpu time spent up to now is 231.0 secs Computing kpt #: 119 total cpu time spent up to now is 232.7 secs Computing kpt #: 120 total cpu time spent up to now is 234.3 secs Computing kpt #: 121 total cpu time spent up to now is 235.9 secs Computing kpt #: 122 total cpu time spent up to now is 237.5 secs Computing kpt #: 123 total cpu time spent up to now is 239.1 secs Computing kpt #: 124 total cpu time spent up to now is 240.7 secs Computing kpt #: 125 total cpu time spent up to now is 242.3 secs Computing kpt #: 126 total cpu time spent up to now is 244.0 secs Computing kpt #: 127 total cpu time spent up to now is 245.7 secs Computing kpt #: 128 total cpu time spent up to now is 247.3 secs Computing kpt #: 129 total cpu time spent up to now is 248.9 secs Computing kpt #: 130 total cpu time spent up to now is 250.6 secs Computing kpt #: 131 total cpu time spent up to now is 252.3 secs Computing kpt #: 132 total cpu time spent up to now is 253.9 secs Computing kpt #: 133 total cpu time spent up to now is 255.6 secs Computing kpt #: 134 total cpu time spent up to now is 257.3 secs Computing kpt #: 135 total cpu time spent up to now is 258.9 secs Computing kpt #: 136 total cpu time spent up to now is 260.5 secs Computing kpt #: 137 total cpu time spent up to now is 262.2 secs Computing kpt #: 138 total cpu time spent up to now is 263.9 secs Computing kpt #: 139 total cpu time spent up to now is 265.5 secs Computing kpt #: 140 total cpu time spent up to now is 267.1 secs Computing kpt #: 141 total cpu time spent up to now is 268.7 secs Computing kpt #: 142 total cpu time spent up to now is 270.3 secs Computing kpt #: 143 total cpu time spent up to now is 271.9 secs Computing kpt #: 144 total cpu time spent up to now is 273.5 secs Computing kpt #: 145 total cpu time spent up to now is 275.1 secs Computing kpt #: 146 total cpu time spent up to now is 276.7 secs Computing kpt #: 147 total cpu time spent up to now is 278.3 secs Computing kpt #: 148 total cpu time spent up to now is 280.0 secs Computing kpt #: 149 total cpu time spent up to now is 281.7 secs Computing kpt #: 150 total cpu time spent up to now is 283.3 secs Computing kpt #: 151 total cpu time spent up to now is 285.2 secs Computing kpt #: 152 total cpu time spent up to now is 287.6 secs Computing kpt #: 153 total cpu time spent up to now is 289.9 secs Computing kpt #: 154 total cpu time spent up to now is 291.8 secs Computing kpt #: 155 total cpu time spent up to now is 293.5 secs Computing kpt #: 156 total cpu time spent up to now is 295.1 secs Computing kpt #: 157 total cpu time spent up to now is 296.9 secs Computing kpt #: 158 total cpu time spent up to now is 298.6 secs Computing kpt #: 159 total cpu time spent up to now is 300.3 secs Computing kpt #: 160 total cpu time spent up to now is 302.0 secs Computing kpt #: 161 total cpu time spent up to now is 303.8 secs Computing kpt #: 162 total cpu time spent up to now is 305.6 secs Computing kpt #: 163 total cpu time spent up to now is 307.4 secs Computing kpt #: 164 total cpu time spent up to now is 309.1 secs Computing kpt #: 165 total cpu time spent up to now is 310.9 secs Computing kpt #: 166 total cpu time spent up to now is 312.7 secs Computing kpt #: 167 total cpu time spent up to now is 314.4 secs Computing kpt #: 168 total cpu time spent up to now is 316.1 secs Computing kpt #: 169 total cpu time spent up to now is 317.9 secs Computing kpt #: 170 total cpu time spent up to now is 319.7 secs Computing kpt #: 171 total cpu time spent up to now is 321.3 secs Computing kpt #: 172 total cpu time spent up to now is 323.2 secs Computing kpt #: 173 total cpu time spent up to now is 324.8 secs Computing kpt #: 174 total cpu time spent up to now is 326.5 secs Computing kpt #: 175 total cpu time spent up to now is 328.1 secs Computing kpt #: 176 total cpu time spent up to now is 329.7 secs Computing kpt #: 177 total cpu time spent up to now is 331.3 secs Computing kpt #: 178 total cpu time spent up to now is 333.0 secs Computing kpt #: 179 total cpu time spent up to now is 334.7 secs Computing kpt #: 180 total cpu time spent up to now is 336.4 secs Computing kpt #: 181 total cpu time spent up to now is 338.2 secs Computing kpt #: 182 total cpu time spent up to now is 339.9 secs Computing kpt #: 183 total cpu time spent up to now is 341.6 secs Computing kpt #: 184 total cpu time spent up to now is 343.3 secs Computing kpt #: 185 total cpu time spent up to now is 345.1 secs Computing kpt #: 186 total cpu time spent up to now is 346.8 secs Computing kpt #: 187 total cpu time spent up to now is 348.5 secs Computing kpt #: 188 total cpu time spent up to now is 350.1 secs Computing kpt #: 189 total cpu time spent up to now is 351.8 secs Computing kpt #: 190 total cpu time spent up to now is 353.5 secs Computing kpt #: 191 total cpu time spent up to now is 355.2 secs Computing kpt #: 192 total cpu time spent up to now is 356.9 secs Computing kpt #: 193 total cpu time spent up to now is 358.6 secs Computing kpt #: 194 total cpu time spent up to now is 360.3 secs Computing kpt #: 195 total cpu time spent up to now is 362.0 secs Computing kpt #: 196 total cpu time spent up to now is 363.7 secs Computing kpt #: 197 total cpu time spent up to now is 365.4 secs Computing kpt #: 198 total cpu time spent up to now is 367.1 secs Computing kpt #: 199 total cpu time spent up to now is 368.7 secs Computing kpt #: 200 total cpu time spent up to now is 370.1 secs Computing kpt #: 201 total cpu time spent up to now is 371.4 secs Computing kpt #: 202 total cpu time spent up to now is 373.0 secs Computing kpt #: 203 total cpu time spent up to now is 374.7 secs Computing kpt #: 204 total cpu time spent up to now is 376.5 secs Computing kpt #: 205 total cpu time spent up to now is 378.1 secs Computing kpt #: 206 total cpu time spent up to now is 379.5 secs Computing kpt #: 207 total cpu time spent up to now is 381.1 secs Computing kpt #: 208 total cpu time spent up to now is 382.8 secs Computing kpt #: 209 total cpu time spent up to now is 384.1 secs Computing kpt #: 210 total cpu time spent up to now is 385.8 secs Computing kpt #: 211 total cpu time spent up to now is 387.4 secs Computing kpt #: 212 total cpu time spent up to now is 389.1 secs Computing kpt #: 213 total cpu time spent up to now is 390.7 secs Computing kpt #: 214 total cpu time spent up to now is 392.3 secs Computing kpt #: 215 total cpu time spent up to now is 393.9 secs Computing kpt #: 216 total cpu time spent up to now is 395.5 secs Computing kpt #: 217 total cpu time spent up to now is 396.8 secs Computing kpt #: 218 total cpu time spent up to now is 398.4 secs Computing kpt #: 219 total cpu time spent up to now is 399.9 secs Computing kpt #: 220 total cpu time spent up to now is 401.5 secs Computing kpt #: 221 total cpu time spent up to now is 402.8 secs Computing kpt #: 222 total cpu time spent up to now is 404.4 secs Computing kpt #: 223 total cpu time spent up to now is 406.0 secs Computing kpt #: 224 total cpu time spent up to now is 407.6 secs Computing kpt #: 225 total cpu time spent up to now is 409.2 secs Computing kpt #: 226 total cpu time spent up to now is 410.7 secs Computing kpt #: 227 total cpu time spent up to now is 412.3 secs Computing kpt #: 228 total cpu time spent up to now is 413.9 secs Computing kpt #: 229 total cpu time spent up to now is 415.4 secs Computing kpt #: 230 total cpu time spent up to now is 417.0 secs Computing kpt #: 231 total cpu time spent up to now is 418.6 secs Computing kpt #: 232 total cpu time spent up to now is 420.2 secs Computing kpt #: 233 total cpu time spent up to now is 421.8 secs Computing kpt #: 234 total cpu time spent up to now is 423.4 secs Computing kpt #: 235 total cpu time spent up to now is 424.9 secs Computing kpt #: 236 total cpu time spent up to now is 426.5 secs Computing kpt #: 237 total cpu time spent up to now is 428.1 secs Computing kpt #: 238 total cpu time spent up to now is 429.8 secs Computing kpt #: 239 total cpu time spent up to now is 431.4 secs Computing kpt #: 240 total cpu time spent up to now is 433.0 secs Computing kpt #: 241 total cpu time spent up to now is 434.5 secs Computing kpt #: 242 total cpu time spent up to now is 436.1 secs Computing kpt #: 243 total cpu time spent up to now is 437.6 secs Computing kpt #: 244 total cpu time spent up to now is 439.2 secs Computing kpt #: 245 total cpu time spent up to now is 440.7 secs Computing kpt #: 246 total cpu time spent up to now is 442.2 secs Computing kpt #: 247 total cpu time spent up to now is 443.8 secs Computing kpt #: 248 total cpu time spent up to now is 445.3 secs Computing kpt #: 249 total cpu time spent up to now is 446.8 secs Computing kpt #: 250 total cpu time spent up to now is 448.5 secs Computing kpt #: 251 total cpu time spent up to now is 449.8 secs Computing kpt #: 252 total cpu time spent up to now is 451.4 secs Computing kpt #: 253 total cpu time spent up to now is 452.8 secs Computing kpt #: 254 total cpu time spent up to now is 454.4 secs Computing kpt #: 255 total cpu time spent up to now is 456.0 secs Computing kpt #: 256 total cpu time spent up to now is 457.5 secs Computing kpt #: 257 total cpu time spent up to now is 458.8 secs Computing kpt #: 258 total cpu time spent up to now is 460.3 secs Computing kpt #: 259 total cpu time spent up to now is 461.9 secs Computing kpt #: 260 total cpu time spent up to now is 463.5 secs Computing kpt #: 261 total cpu time spent up to now is 464.8 secs Computing kpt #: 262 total cpu time spent up to now is 466.4 secs Computing kpt #: 263 total cpu time spent up to now is 468.0 secs Computing kpt #: 264 total cpu time spent up to now is 469.5 secs Computing kpt #: 265 total cpu time spent up to now is 471.1 secs Computing kpt #: 266 total cpu time spent up to now is 472.7 secs Computing kpt #: 267 total cpu time spent up to now is 474.2 secs Computing kpt #: 268 total cpu time spent up to now is 475.8 secs Computing kpt #: 269 total cpu time spent up to now is 477.3 secs Computing kpt #: 270 total cpu time spent up to now is 478.9 secs Computing kpt #: 271 total cpu time spent up to now is 480.5 secs Computing kpt #: 272 total cpu time spent up to now is 482.0 secs Computing kpt #: 273 total cpu time spent up to now is 483.6 secs Computing kpt #: 274 total cpu time spent up to now is 485.1 secs Computing kpt #: 275 total cpu time spent up to now is 486.7 secs Computing kpt #: 276 total cpu time spent up to now is 488.3 secs Computing kpt #: 277 total cpu time spent up to now is 489.8 secs Computing kpt #: 278 total cpu time spent up to now is 491.4 secs Computing kpt #: 279 total cpu time spent up to now is 493.0 secs Computing kpt #: 280 total cpu time spent up to now is 494.6 secs Computing kpt #: 281 total cpu time spent up to now is 496.2 secs Computing kpt #: 282 total cpu time spent up to now is 497.8 secs Computing kpt #: 283 total cpu time spent up to now is 499.4 secs Computing kpt #: 284 total cpu time spent up to now is 500.9 secs Computing kpt #: 285 total cpu time spent up to now is 502.5 secs Computing kpt #: 286 total cpu time spent up to now is 504.0 secs Computing kpt #: 287 total cpu time spent up to now is 505.6 secs Computing kpt #: 288 total cpu time spent up to now is 507.1 secs Computing kpt #: 289 total cpu time spent up to now is 508.7 secs Computing kpt #: 290 total cpu time spent up to now is 510.3 secs Computing kpt #: 291 total cpu time spent up to now is 511.8 secs Computing kpt #: 292 total cpu time spent up to now is 513.4 secs Computing kpt #: 293 total cpu time spent up to now is 515.0 secs ethr = 2.63E-11, avg # of iterations = 38.3 total cpu time spent up to now is 515.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3113 PWs) bands (ev): -21.4237 -21.4237 -15.8254 -15.8254 -15.8047 -15.8047 -6.1592 -6.1592 -6.1405 -6.1405 -6.0163 -6.0163 -4.0400 -4.0400 -4.0063 -4.0063 -3.9369 -3.9369 -3.5716 -3.5716 -2.7680 -2.7680 -2.7297 -2.7297 1.1404 1.1404 1.1562 1.1562 1.3020 1.3020 2.1454 2.1454 2.1737 2.1737 3.4749 3.4749 3.7327 3.7327 9.4216 9.4216 10.8875 10.8875 11.3217 11.3217 12.3327 12.3327 k = 0.0139-0.0009-0.0008 ( 3119 PWs) bands (ev): -21.4237 -21.4237 -15.8255 -15.8255 -15.8048 -15.8048 -6.1599 -6.1586 -6.1406 -6.1405 -6.0168 -6.0159 -4.0400 -4.0397 -4.0072 -4.0054 -3.9372 -3.9368 -3.5722 -3.5705 -2.7693 -2.7660 -2.7296 -2.7289 1.1303 1.1357 1.1515 1.1522 1.3080 1.3117 2.1462 2.1485 2.1758 2.1758 3.4749 3.4750 3.7327 3.7330 9.4177 9.4238 10.8834 10.8889 11.3197 11.3200 12.3291 12.3328 k = 0.0278-0.0018-0.0017 ( 3127 PWs) bands (ev): -21.4235 -21.4235 -15.8257 -15.8256 -15.8050 -15.8050 -6.1607 -6.1581 -6.1407 -6.1405 -6.0176 -6.0158 -4.0399 -4.0394 -4.0079 -4.0043 -3.9378 -3.9369 -3.5723 -3.5689 -2.7697 -2.7635 -2.7287 -2.7270 1.1030 1.1113 1.1471 1.1481 1.3256 1.3311 2.1501 2.1538 2.1826 2.1838 3.4749 3.4752 3.7333 3.7337 9.4120 9.4242 10.8768 10.8878 11.3142 11.3147 12.3218 12.3293 k = 0.0417-0.0027-0.0025 ( 3139 PWs) bands (ev): -21.4233 -21.4233 -15.8261 -15.8260 -15.8053 -15.8053 -6.1616 -6.1576 -6.1409 -6.1406 -6.0186 -6.0159 -4.0398 -4.0389 -4.0084 -4.0030 -3.9386 -3.9373 -3.5718 -3.5668 -2.7693 -2.7609 -2.7269 -2.7235 1.0649 1.0743 1.1438 1.1444 1.3473 1.3534 2.1555 2.1590 2.1958 2.1995 3.4750 3.4754 3.7343 3.7349 9.4046 9.4227 10.8672 10.8840 11.3056 11.3064 12.3105 12.3220 k = 0.0556-0.0036-0.0034 ( 3141 PWs) bands (ev): -21.4230 -21.4230 -15.8266 -15.8264 -15.8057 -15.8057 -6.1625 -6.1573 -6.1412 -6.1407 -6.0197 -6.0162 -4.0394 -4.0382 -4.0088 -4.0017 -3.9395 -3.9380 -3.5707 -3.5643 -2.7682 -2.7588 -2.7240 -2.7181 1.0213 1.0311 1.1398 1.1402 1.3689 1.3750 2.1608 2.1635 2.2163 2.2230 3.4751 3.4756 3.7357 3.7365 9.3952 9.4192 10.8546 10.8772 11.2947 11.2960 12.2946 12.3103 k = 0.0694-0.0045-0.0042 ( 3143 PWs) bands (ev): -21.4225 -21.4225 -15.8272 -15.8271 -15.8062 -15.8062 -6.1635 -6.1570 -6.1416 -6.1409 -6.0209 -6.0167 -4.0391 -4.0374 -4.0091 -4.0002 -3.9406 -3.9388 -3.5690 -3.5614 -2.7668 -2.7573 -2.7200 -2.7107 0.9743 0.9843 1.1349 1.1351 1.3887 1.3947 2.1660 2.1680 2.2437 2.2531 3.4753 3.4759 3.7376 3.7386 9.3837 9.4132 10.8386 10.8670 11.2826 11.2845 12.2735 12.2935 k = 0.0833-0.0053-0.0050 ( 3144 PWs) bands (ev): -21.4220 -21.4220 -15.8281 -15.8279 -15.8067 -15.8067 -6.1646 -6.1568 -6.1421 -6.1411 -6.0223 -6.0174 -4.0386 -4.0365 -4.0093 -3.9985 -3.9418 -3.9399 -3.5668 -3.5580 -2.7653 -2.7565 -2.7144 -2.7012 0.9251 0.9351 1.1291 1.1291 1.4060 1.4118 2.1714 2.1728 2.2770 2.2888 3.4755 3.4763 3.7399 3.7411 9.3700 9.4046 10.8191 10.8533 11.2704 11.2728 12.2470 12.2711 k = 0.0972-0.0062-0.0059 ( 3149 PWs) bands (ev): -21.4214 -21.4214 -15.8291 -15.8289 -15.8073 -15.8073 -6.1657 -6.1568 -6.1426 -6.1413 -6.0238 -6.0183 -4.0382 -4.0354 -4.0093 -3.9968 -3.9431 -3.9412 -3.5639 -3.5542 -2.7640 -2.7563 -2.7072 -2.6899 0.8745 0.8844 1.1222 1.1224 1.4208 1.4264 2.1770 2.1780 2.3152 2.3292 3.4758 3.4766 3.7428 3.7442 9.3536 9.3930 10.7962 10.8358 11.2592 11.2621 12.2150 12.2430 k = 0.1111-0.0071-0.0067 ( 3146 PWs) bands (ev): -21.4207 -21.4207 -15.8304 -15.8301 -15.8078 -15.8078 -6.1669 -6.1568 -6.1433 -6.1416 -6.0253 -6.0193 -4.0377 -4.0343 -4.0091 -3.9949 -3.9443 -3.9427 -3.5604 -3.5500 -2.7630 -2.7565 -2.6983 -2.6771 0.8230 0.8328 1.1145 1.1148 1.4332 1.4386 2.1831 2.1837 2.3575 2.3733 3.4761 3.4770 3.7462 3.7477 9.3344 9.3779 10.7703 10.8148 11.2498 11.2531 12.1781 12.2093 k = 0.1250-0.0080-0.0075 ( 3148 PWs) bands (ev): -21.4200 -21.4199 -15.8319 -15.8316 -15.8083 -15.8083 -6.1682 -6.1570 -6.1440 -6.1419 -6.0269 -6.0205 -4.0373 -4.0331 -4.0088 -3.9929 -3.9456 -3.9443 -3.5563 -3.5454 -2.7625 -2.7571 -2.6877 -2.6631 0.7712 0.7807 1.1061 1.1065 1.4434 1.4487 2.1896 2.1899 2.4031 2.4205 3.4764 3.4774 3.7501 3.7517 9.3120 9.3590 10.7422 10.7907 11.2430 11.2463 12.1368 12.1708 k = 0.1389-0.0089-0.0084 ( 3150 PWs) bands (ev): -21.4191 -21.4191 -15.8336 -15.8333 -15.8088 -15.8088 -6.1695 -6.1574 -6.1448 -6.1422 -6.0285 -6.0218 -4.0370 -4.0318 -4.0083 -3.9910 -3.9468 -3.9460 -3.5516 -3.5404 -2.7623 -2.7579 -2.6756 -2.6480 0.7193 0.7285 1.0971 1.0976 1.4518 1.4569 2.1965 2.1965 2.4514 2.4701 3.4768 3.4779 3.7546 3.7563 9.2861 9.3358 10.7127 10.7643 11.2388 11.2419 12.0920 12.1283 k = 0.1528-0.0098-0.0092 ( 3153 PWs) bands (ev): -21.4182 -21.4182 -15.8356 -15.8352 -15.8092 -15.8092 -6.1709 -6.1579 -6.1456 -6.1425 -6.0300 -6.0233 -4.0367 -4.0305 -4.0077 -3.9890 -3.9478 -3.9477 -3.5463 -3.5350 -2.7624 -2.7590 -2.6623 -2.6320 0.6677 0.6765 1.0875 1.0881 1.4585 1.4635 2.2035 2.2038 2.5016 2.5215 3.4772 3.4783 3.7597 3.7614 9.2566 9.3080 10.6830 10.7365 11.2373 11.2400 12.0444 12.0826 k = 0.1667-0.0107-0.0101 ( 3151 PWs) bands (ev): -21.4173 -21.4172 -15.8377 -15.8374 -15.8096 -15.8096 -6.1723 -6.1587 -6.1463 -6.1429 -6.0315 -6.0247 -4.0366 -4.0292 -4.0069 -3.9870 -3.9494 -3.9488 -3.5404 -3.5292 -2.7629 -2.7602 -2.6478 -2.6154 0.6165 0.6250 1.0775 1.0781 1.4638 1.4688 2.2109 2.2113 2.5532 2.5741 3.4776 3.4788 3.7653 3.7670 9.2232 9.2754 10.6542 10.7084 11.2384 11.2404 11.9948 12.0345 k = 0.1806-0.0116-0.0109 ( 3155 PWs) bands (ev): -21.4163 -21.4162 -15.8401 -15.8397 -15.8099 -15.8099 -6.1737 -6.1598 -6.1470 -6.1434 -6.0330 -6.0263 -4.0366 -4.0278 -4.0059 -3.9852 -3.9510 -3.9496 -3.5341 -3.5230 -2.7635 -2.7615 -2.6324 -2.5982 0.5661 0.5741 1.0670 1.0677 1.4680 1.4730 2.2185 2.2191 2.6058 2.6276 3.4779 3.4792 3.7716 3.7733 9.1858 9.2378 10.6273 10.6810 11.2416 11.2427 11.9437 11.9848 k = 0.1944-0.0125-0.0117 ( 3148 PWs) bands (ev): -21.4152 -21.4152 -15.8426 -15.8422 -15.8101 -15.8101 -6.1752 -6.1611 -6.1476 -6.1438 -6.0344 -6.0279 -4.0367 -4.0265 -4.0048 -3.9836 -3.9523 -3.9502 -3.5272 -3.5165 -2.7644 -2.7629 -2.6163 -2.5808 0.5165 0.5242 1.0563 1.0570 1.4713 1.4763 2.2263 2.2271 2.6588 2.6814 3.4783 3.4796 3.7785 3.7801 9.1445 9.1953 10.6032 10.6552 11.2466 11.2467 11.8919 11.9341 k = 0.2083-0.0134-0.0126 ( 3146 PWs) bands (ev): -21.4141 -21.4141 -15.8452 -15.8448 -15.8103 -15.8103 -6.1767 -6.1627 -6.1481 -6.1443 -6.0357 -6.0294 -4.0368 -4.0252 -4.0037 -3.9823 -3.9534 -3.9506 -3.5200 -3.5096 -2.7654 -2.7644 -2.5997 -2.5631 0.4681 0.4754 1.0454 1.0461 1.4737 1.4787 2.2342 2.2352 2.7120 2.7351 3.4787 3.4800 3.7860 3.7876 9.0994 9.1482 10.5823 10.6315 11.2520 11.2529 11.8399 11.8829 k = 0.2222-0.0143-0.0134 ( 3146 PWs) bands (ev): -21.4130 -21.4129 -15.8480 -15.8476 -15.8104 -15.8104 -6.1783 -6.1645 -6.1485 -6.1448 -6.0370 -6.0310 -4.0371 -4.0240 -4.0024 -3.9814 -3.9540 -3.9509 -3.5124 -3.5024 -2.7665 -2.7659 -2.5827 -2.5455 0.4209 0.4278 1.0343 1.0350 1.4755 1.4805 2.2422 2.2433 2.7649 2.7885 3.4791 3.4803 3.7942 3.7956 9.0508 9.0969 10.5650 10.6105 11.2582 11.2602 11.7882 11.8319 k = 0.2361-0.0151-0.0143 ( 3145 PWs) bands (ev): -21.4119 -21.4118 -15.8508 -15.8504 -15.8105 -15.8105 -6.1799 -6.1666 -6.1488 -6.1452 -6.0381 -6.0325 -4.0374 -4.0228 -4.0011 -3.9810 -3.9541 -3.9509 -3.5044 -3.4949 -2.7677 -2.7675 -2.5655 -2.5280 0.3751 0.3816 1.0233 1.0240 1.4769 1.4818 2.2502 2.2514 2.8172 2.8411 3.4794 3.4807 3.8030 3.8043 8.9991 9.0420 10.5513 10.5924 11.2646 11.2679 11.7377 11.7817 k = 0.2500-0.0160-0.0151 ( 3149 PWs) bands (ev): -21.4107 -21.4107 -15.8538 -15.8533 -15.8106 -15.8106 -6.1815 -6.1688 -6.1491 -6.1457 -6.0392 -6.0339 -4.0377 -4.0217 -3.9997 -3.9811 -3.9537 -3.9508 -3.4962 -3.4872 -2.7691 -2.7689 -2.5483 -2.5108 0.3308 0.3369 1.0123 1.0130 1.4777 1.4826 2.2582 2.2595 2.8685 2.8926 3.4797 3.4810 3.8123 3.8135 8.9449 8.9841 10.5412 10.5773 11.2706 11.2753 11.6891 11.7332 k = 0.2639-0.0169-0.0159 ( 3148 PWs) bands (ev): -21.4096 -21.4095 -15.8567 -15.8563 -15.8106 -15.8106 -6.1831 -6.1711 -6.1493 -6.1462 -6.0401 -6.0353 -4.0380 -4.0208 -3.9983 -3.9816 -3.9529 -3.9505 -3.4878 -3.4793 -2.7707 -2.7703 -2.5311 -2.4939 0.2882 0.2939 1.0014 1.0021 1.4783 1.4831 2.2660 2.2674 2.9187 2.9429 3.4800 3.4813 3.8223 3.8233 8.8887 8.9241 10.5343 10.5651 11.2753 11.2817 11.6435 11.6871 k = 0.2778-0.0178-0.0168 ( 3145 PWs) bands (ev): -21.4084 -21.4084 -15.8596 -15.8592 -15.8106 -15.8106 -6.1848 -6.1736 -6.1494 -6.1467 -6.0410 -6.0366 -4.0383 -4.0200 -3.9969 -3.9823 -3.9517 -3.9501 -3.4793 -3.4713 -2.7722 -2.7716 -2.5142 -2.4776 0.2474 0.2528 0.9907 0.9914 1.4786 1.4833 2.2738 2.2752 2.9674 2.9915 3.4803 3.4815 3.8328 3.8336 8.8312 8.8626 10.5304 10.5558 11.2774 11.2861 11.6024 11.6447 k = 0.2917-0.0187-0.0176 ( 3145 PWs) bands (ev): -21.4073 -21.4073 -15.8625 -15.8621 -15.8106 -15.8106 -6.1864 -6.1760 -6.1495 -6.1472 -6.0417 -6.0379 -4.0386 -4.0194 -3.9956 -3.9832 -3.9503 -3.9495 -3.4707 -3.4632 -2.7738 -2.7730 -2.4977 -2.4620 0.2085 0.2135 0.9804 0.9810 1.4787 1.4833 2.2813 2.2828 3.0145 3.0382 3.4806 3.4817 3.8437 3.8444 8.7730 8.8005 10.5291 10.5490 11.2753 11.2870 11.5675 11.6075 k = 0.3056-0.0196-0.0185 ( 3147 PWs) bands (ev): -21.4062 -21.4062 -15.8654 -15.8650 -15.8105 -15.8105 -6.1880 -6.1785 -6.1496 -6.1476 -6.0424 -6.0390 -4.0389 -4.0190 -3.9943 -3.9841 -3.9488 -3.9488 -3.4621 -3.4551 -2.7753 -2.7743 -2.4817 -2.4471 0.1717 0.1762 0.9703 0.9710 1.4787 1.4831 2.2885 2.2900 3.0595 3.0828 3.4808 3.4818 3.8551 3.8556 8.7148 8.7385 10.5299 10.5445 11.2673 11.2831 11.5406 11.5771 k = 0.3194-0.0205-0.0193 ( 3147 PWs) bands (ev): -21.4052 -21.4051 -15.8682 -15.8678 -15.8105 -15.8105 -6.1896 -6.1810 -6.1497 -6.1480 -6.0431 -6.0401 -4.0390 -4.0189 -3.9930 -3.9850 -3.9480 -3.9473 -3.4537 -3.4472 -2.7767 -2.7757 -2.4663 -2.4330 0.1369 0.1411 0.9607 0.9613 1.4786 1.4828 2.2955 2.2970 3.1024 3.1251 3.4810 3.4820 3.8668 3.8671 8.6572 8.6775 10.5325 10.5420 11.2525 11.2729 11.5228 11.5547 k = 0.3333-0.0214-0.0201 ( 3143 PWs) bands (ev): -21.4041 -21.4041 -15.8708 -15.8705 -15.8105 -15.8104 -6.1912 -6.1834 -6.1498 -6.1484 -6.0436 -6.0410 -4.0391 -4.0190 -3.9918 -3.9857 -3.9471 -3.9458 -3.4454 -3.4394 -2.7781 -2.7770 -2.4515 -2.4198 0.1043 0.1081 0.9516 0.9521 1.4784 1.4824 2.3021 2.3036 3.1429 3.1648 3.4811 3.4821 3.8787 3.8789 8.6010 8.6180 10.5364 10.5411 11.2314 11.2564 11.5138 11.5409 k = 0.3472-0.0223-0.0210 ( 3145 PWs) bands (ev): -21.4032 -21.4031 -15.8734 -15.8731 -15.8104 -15.8104 -6.1927 -6.1857 -6.1498 -6.1487 -6.0441 -6.0419 -4.0391 -4.0194 -3.9907 -3.9863 -3.9462 -3.9443 -3.4374 -3.4318 -2.7794 -2.7783 -2.4376 -2.4077 0.0740 0.0775 0.9430 0.9435 1.4781 1.4819 2.3084 2.3098 3.1808 3.2017 3.4813 3.4822 3.8907 3.8907 8.5467 8.5608 10.5412 10.5417 11.2057 11.2343 11.5120 11.5347 k = 0.3611-0.0232-0.0218 ( 3143 PWs) bands (ev): -21.4023 -21.4022 -15.8758 -15.8755 -15.8103 -15.8103 -6.1941 -6.1879 -6.1499 -6.1490 -6.0445 -6.0426 -4.0390 -4.0200 -3.9897 -3.9866 -3.9452 -3.9430 -3.4297 -3.4246 -2.7807 -2.7795 -2.4245 -2.3966 0.0461 0.0492 0.9350 0.9354 1.4779 1.4814 2.3142 2.3156 3.2159 3.2357 3.4814 3.4822 3.9025 3.9026 8.4949 8.5064 10.5434 10.5466 11.1775 11.2086 11.5152 11.5342 k = 0.3750-0.0241-0.0226 ( 3142 PWs) bands (ev): -21.4014 -21.4014 -15.8780 -15.8777 -15.8103 -15.8103 -6.1954 -6.1900 -6.1499 -6.1493 -6.0449 -6.0433 -4.0387 -4.0208 -3.9887 -3.9868 -3.9442 -3.9417 -3.4224 -3.4179 -2.7818 -2.7806 -2.4123 -2.3866 0.0206 0.0234 0.9276 0.9280 1.4776 1.4809 2.3196 2.3209 3.2482 3.2667 3.4815 3.4822 3.9141 3.9142 8.4462 8.4555 10.5459 10.5522 11.1489 11.1811 11.5216 11.5377 k = 0.3889-0.0249-0.0235 ( 3139 PWs) bands (ev): -21.4006 -21.4006 -15.8801 -15.8798 -15.8102 -15.8102 -6.1966 -6.1919 -6.1500 -6.1495 -6.0452 -6.0439 -4.0384 -4.0218 -3.9879 -3.9868 -3.9433 -3.9406 -3.4157 -3.4116 -2.7828 -2.7817 -2.4011 -2.3777 -0.0024 0.0001 0.9208 0.9212 1.4774 1.4804 2.3245 2.3257 3.2775 3.2944 3.4816 3.4823 3.9253 3.9254 8.4012 8.4085 10.5491 10.5578 11.1212 11.1535 11.5299 11.5435 k = 0.4028-0.0258-0.0243 ( 3139 PWs) bands (ev): -21.3999 -21.3999 -15.8819 -15.8817 -15.8102 -15.8102 -6.1977 -6.1937 -6.1500 -6.1497 -6.0455 -6.0444 -4.0380 -4.0230 -3.9872 -3.9867 -3.9423 -3.9397 -3.4095 -3.4058 -2.7837 -2.7827 -2.3909 -2.3701 -0.0228 -0.0206 0.9148 0.9151 1.4772 1.4799 2.3289 2.3300 3.3036 3.3188 3.4817 3.4823 3.9358 3.9360 8.3602 8.3658 10.5527 10.5631 11.0956 11.1268 11.5390 11.5505 k = 0.4167-0.0267-0.0252 ( 3138 PWs) bands (ev): -21.3993 -21.3993 -15.8835 -15.8833 -15.8101 -15.8101 -6.1986 -6.1953 -6.1501 -6.1499 -6.0457 -6.0449 -4.0374 -4.0242 -3.9866 -3.9865 -3.9414 -3.9390 -3.4039 -3.4008 -2.7845 -2.7836 -2.3817 -2.3636 -0.0406 -0.0387 0.9095 0.9098 1.4771 1.4794 2.3328 2.3338 3.3266 3.3399 3.4818 3.4823 3.9455 3.9457 8.3237 8.3280 10.5565 10.5677 11.0728 11.1019 11.5481 11.5578 k = 0.4306-0.0276-0.0260 ( 3135 PWs) bands (ev): -21.3988 -21.3987 -15.8849 -15.8848 -15.8101 -15.8101 -6.1994 -6.1967 -6.1501 -6.1500 -6.0459 -6.0452 -4.0368 -4.0255 -3.9862 -3.9861 -3.9406 -3.9383 -3.3990 -3.3964 -2.7851 -2.7843 -2.3737 -2.3584 -0.0557 -0.0541 0.9050 0.9052 1.4770 1.4789 2.3362 2.3370 3.3462 3.3576 3.4818 3.4823 3.9542 3.9544 8.2921 8.2953 10.5605 10.5716 11.0534 11.0794 11.5568 11.5647 k = 0.4444-0.0285-0.0268 ( 3133 PWs) bands (ev): -21.3983 -21.3983 -15.8861 -15.8860 -15.8100 -15.8100 -6.2000 -6.1979 -6.1501 -6.1501 -6.0460 -6.0455 -4.0360 -4.0269 -3.9860 -3.9857 -3.9398 -3.9379 -3.3949 -3.3928 -2.7857 -2.7850 -2.3668 -2.3544 -0.0680 -0.0668 0.9013 0.9015 1.4769 1.4785 2.3390 2.3396 3.3626 3.3718 3.4819 3.4823 3.9616 3.9618 8.2659 8.2682 10.5643 10.5745 11.0377 11.0598 11.5645 11.5708 k = 0.4583-0.0294-0.0277 ( 3135 PWs) bands (ev): -21.3980 -21.3979 -15.8870 -15.8869 -15.8100 -15.8100 -6.2005 -6.1989 -6.1502 -6.1501 -6.0461 -6.0458 -4.0351 -4.0282 -3.9857 -3.9854 -3.9391 -3.9376 -3.3916 -3.3900 -2.7861 -2.7856 -2.3611 -2.3517 -0.0777 -0.0768 0.8984 0.8985 1.4769 1.4781 2.3412 2.3417 3.3756 3.3826 3.4820 3.4822 3.9676 3.9677 8.2451 8.2467 10.5680 10.5764 11.0260 11.0434 11.5710 11.5757 k = 0.4722-0.0303-0.0285 ( 3132 PWs) bands (ev): -21.3977 -21.3977 -15.8877 -15.8876 -15.8100 -15.8100 -6.2007 -6.1997 -6.1502 -6.1502 -6.0462 -6.0460 -4.0342 -4.0295 -3.9855 -3.9853 -3.9385 -3.9375 -3.3891 -3.3880 -2.7863 -2.7860 -2.3565 -2.3502 -0.0845 -0.0839 0.8963 0.8964 1.4770 1.4778 2.3428 2.3431 3.3853 3.3900 3.4821 3.4822 3.9720 3.9721 8.2302 8.2312 10.5712 10.5773 11.0186 11.0306 11.5760 11.5792 k = 0.4861-0.0312-0.0294 ( 3128 PWs) bands (ev): -21.3976 -21.3976 -15.8880 -15.8880 -15.8099 -15.8099 -6.2008 -6.2003 -6.1502 -6.1502 -6.0462 -6.0461 -4.0331 -4.0308 -3.9853 -3.9852 -3.9381 -3.9376 -3.3875 -3.3870 -2.7864 -2.7863 -2.3531 -2.3499 -0.0886 -0.0883 0.8950 0.8951 1.4771 1.4775 2.3438 2.3439 3.3915 3.3939 3.4821 3.4822 3.9747 3.9748 8.2213 8.2217 10.5739 10.5771 11.0154 11.0215 11.5794 11.5810 k = 0.5000-0.0321-0.0302 ( 3126 PWs) bands (ev): -21.3975 -21.3975 -15.8882 -15.8882 -15.8099 -15.8099 -6.2006 -6.2006 -6.1502 -6.1502 -6.0462 -6.0462 -4.0320 -4.0320 -3.9852 -3.9852 -3.9378 -3.9378 -3.3868 -3.3868 -2.7864 -2.7864 -2.3509 -2.3509 -0.0898 -0.0898 0.8946 0.8946 1.4773 1.4773 2.3442 2.3442 3.3944 3.3944 3.4822 3.4822 3.9757 3.9757 8.2184 8.2184 10.5759 10.5759 11.0164 11.0164 11.5811 11.5811 k = 0.5000-0.0321-0.0302 ( 3126 PWs) bands (ev): -21.3975 -21.3975 -15.8882 -15.8882 -15.8099 -15.8099 -6.2006 -6.2006 -6.1502 -6.1502 -6.0462 -6.0462 -4.0320 -4.0320 -3.9852 -3.9852 -3.9378 -3.9378 -3.3868 -3.3868 -2.7864 -2.7864 -2.3509 -2.3509 -0.0898 -0.0898 0.8946 0.8946 1.4773 1.4773 2.3442 2.3442 3.3944 3.3944 3.4822 3.4822 3.9757 3.9757 8.2184 8.2184 10.5759 10.5759 11.0164 11.0164 11.5811 11.5811 k = 0.5000-0.0226-0.0402 ( 3134 PWs) bands (ev): -21.3975 -21.3975 -15.8883 -15.8881 -15.8101 -15.8099 -6.2067 -6.1948 -6.1505 -6.1499 -6.0534 -6.0395 -4.0356 -4.0289 -3.9863 -3.9841 -3.9395 -3.9359 -3.3892 -3.3831 -2.7864 -2.7849 -2.3513 -2.3506 -0.0911 -0.0906 0.8951 0.8953 1.4777 1.4794 2.3419 2.3436 3.3941 3.3949 3.4818 3.4824 3.9750 3.9761 8.2191 8.2220 10.5706 10.5779 11.0053 11.0259 11.5732 11.5849 k = 0.5000-0.0132-0.0503 ( 3134 PWs) bands (ev): -21.3973 -21.3973 -15.8884 -15.8880 -15.8105 -15.8101 -6.2130 -6.1892 -6.1508 -6.1496 -6.0611 -6.0335 -4.0397 -4.0264 -3.9872 -3.9830 -3.9412 -3.9341 -3.3902 -3.3781 -2.7848 -2.7818 -2.3518 -2.3503 -0.0942 -0.0932 0.8967 0.8971 1.4806 1.4839 2.3370 2.3405 3.3940 3.3954 3.4812 3.4824 3.9741 3.9763 8.2239 8.2297 10.5622 10.5765 10.9933 11.0333 11.5615 11.5847 k = 0.5000-0.0037-0.0603 ( 3136 PWs) bands (ev): -21.3971 -21.3971 -15.8885 -15.8879 -15.8111 -15.8105 -6.2194 -6.1842 -6.1510 -6.1492 -6.0693 -6.0282 -4.0441 -4.0246 -3.9879 -3.9820 -3.9428 -3.9323 -3.3898 -3.3719 -2.7817 -2.7772 -2.3523 -2.3502 -0.0990 -0.0975 0.8992 0.8998 1.4861 1.4910 2.3295 2.3347 3.3939 3.3961 3.4805 3.4822 3.9730 3.9763 8.2327 8.2416 10.5506 10.5715 10.9807 11.0381 11.5460 11.5805 k = 0.5000 0.0057-0.0703 ( 3134 PWs) bands (ev): -21.3968 -21.3968 -15.8886 -15.8879 -15.8118 -15.8110 -6.2260 -6.1799 -6.1512 -6.1487 -6.0776 -6.0236 -4.0488 -4.0235 -3.9882 -3.9811 -3.9443 -3.9307 -3.3880 -3.3646 -2.7771 -2.7711 -2.3530 -2.3501 -0.1055 -0.1035 0.9024 0.9032 1.4942 1.5006 2.3196 2.3264 3.3939 3.3968 3.4797 3.4820 3.9716 3.9760 8.2455 8.2574 10.5360 10.5631 10.9680 11.0399 11.5270 11.5723 k = 0.5000 0.0152-0.0804 ( 3132 PWs) bands (ev): -21.3965 -21.3964 -15.8887 -15.8878 -15.8127 -15.8117 -6.2326 -6.1767 -6.1512 -6.1478 -6.0860 -6.0197 -4.0537 -4.0232 -3.9883 -3.9802 -3.9456 -3.9291 -3.3848 -3.3561 -2.7711 -2.7637 -2.3537 -2.3502 -0.1132 -0.1108 0.9059 0.9069 1.5049 1.5127 2.3074 2.3160 3.3938 3.3973 3.4789 3.4818 3.9701 3.9755 8.2621 8.2769 10.5183 10.5512 10.9557 11.0382 11.5050 11.5604 k = 0.5000 0.0246-0.0904 ( 3134 PWs) bands (ev): -21.3960 -21.3960 -15.8889 -15.8878 -15.8138 -15.8126 -6.2393 -6.1750 -6.1512 -6.1466 -6.0942 -6.0166 -4.0587 -4.0234 -3.9880 -3.9794 -3.9468 -3.9278 -3.3801 -3.3466 -2.7637 -2.7549 -2.3544 -2.3503 -0.1219 -0.1191 0.9093 0.9104 1.5181 1.5273 2.2933 2.3036 3.3935 3.3976 3.4781 3.4817 3.9683 3.9747 8.2821 8.2999 10.4973 10.5362 10.9440 11.0327 11.4803 11.5446 k = 0.5000 0.0341-0.1005 ( 3130 PWs) bands (ev): -21.3955 -21.3954 -15.8890 -15.8878 -15.8150 -15.8137 -6.2460 -6.1752 -6.1511 -6.1449 -6.1017 -6.0142 -4.0638 -4.0242 -3.9875 -3.9787 -3.9480 -3.9267 -3.3740 -3.3361 -2.7551 -2.7450 -2.3553 -2.3505 -0.1313 -0.1281 0.9123 0.9134 1.5339 1.5443 2.2777 2.2896 3.3929 3.3976 3.4774 3.4816 3.9664 3.9737 8.3052 8.3262 10.4730 10.5186 10.9329 11.0228 11.4537 11.5253 k = 0.5000 0.0435-0.1105 ( 3136 PWs) bands (ev): -21.3949 -21.3948 -15.8892 -15.8878 -15.8164 -15.8149 -6.2529 -6.1775 -6.1510 -6.1430 -6.1079 -6.0125 -4.0688 -4.0255 -3.9867 -3.9780 -3.9490 -3.9259 -3.3665 -3.3247 -2.7453 -2.7339 -2.3561 -2.3508 -0.1410 -0.1375 0.9143 0.9156 1.5522 1.5635 2.2609 2.2744 3.3919 3.3970 3.4769 3.4818 3.9642 3.9726 8.3311 8.3553 10.4453 10.4989 10.9223 11.0086 11.4257 11.5022 k = 0.5000 0.0530-0.1205 ( 3140 PWs) bands (ev): -21.3942 -21.3942 -15.8894 -15.8878 -15.8180 -15.8163 -6.2599 -6.1820 -6.1509 -6.1415 -6.1123 -6.0115 -4.0737 -4.0270 -3.9858 -3.9773 -3.9499 -3.9253 -3.3577 -3.3124 -2.7344 -2.7218 -2.3571 -2.3512 -0.1508 -0.1470 0.9152 0.9165 1.5727 1.5849 2.2432 2.2584 3.3902 3.3957 3.4768 3.4823 3.9620 3.9713 8.3594 8.3870 10.4144 10.4775 10.9116 10.9898 11.3970 11.4754 k = 0.5000 0.0624-0.1306 ( 3140 PWs) bands (ev): -21.3934 -21.3934 -15.8896 -15.8878 -15.8196 -15.8178 -6.2670 -6.1887 -6.1509 -6.1409 -6.1142 -6.0112 -4.0784 -4.0286 -3.9849 -3.9765 -3.9508 -3.9249 -3.3476 -3.2993 -2.7227 -2.7089 -2.3580 -2.3517 -0.1603 -0.1562 0.9146 0.9160 1.5952 1.6081 2.2253 2.2420 3.3878 3.3936 3.4770 3.4830 3.9597 3.9699 8.3896 8.4207 10.3807 10.4548 10.8999 10.9674 11.3681 11.4449 k = 0.5000 0.0719-0.1406 ( 3144 PWs) bands (ev): -21.3926 -21.3926 -15.8898 -15.8879 -15.8215 -15.8194 -6.2743 -6.1972 -6.1508 -6.1412 -6.1140 -6.0114 -4.0829 -4.0303 -3.9840 -3.9758 -3.9515 -3.9248 -3.3363 -3.2855 -2.7102 -2.6953 -2.3590 -2.3522 -0.1692 -0.1649 0.9123 0.9138 1.6194 1.6328 2.2076 2.2258 3.3845 3.3905 3.4776 3.4841 3.9574 3.9685 8.4211 8.4560 10.3447 10.4309 10.8845 10.9435 11.3394 11.4104 k = 0.5000 0.0813-0.1506 ( 3150 PWs) bands (ev): -21.3917 -21.3917 -15.8900 -15.8880 -15.8234 -15.8212 -6.2818 -6.2073 -6.1508 -6.1421 -6.1123 -6.0122 -4.0870 -4.0320 -3.9831 -3.9749 -3.9523 -3.9249 -3.3238 -3.2710 -2.6970 -2.6812 -2.3599 -2.3528 -0.1774 -0.1728 0.9081 0.9099 1.6447 1.6584 2.1906 2.2102 3.3801 3.3864 3.4787 3.4854 3.9553 3.9673 8.4535 8.4924 10.3071 10.4063 10.8614 10.9223 11.3112 11.3717 k = 0.5000 0.0908-0.1607 ( 3150 PWs) bands (ev): -21.3908 -21.3907 -15.8903 -15.8881 -15.8255 -15.8231 -6.2896 -6.2185 -6.1507 -6.1430 -6.1098 -6.0135 -4.0907 -4.0336 -3.9823 -3.9740 -3.9530 -3.9251 -3.3103 -3.2559 -2.6834 -2.6666 -2.3608 -2.3535 -0.1845 -0.1797 0.9021 0.9042 1.6707 1.6845 2.1749 2.1959 3.3746 3.3810 3.4802 3.4871 3.9533 3.9663 8.4862 8.5295 10.2684 10.3809 10.8277 10.9068 11.2836 11.3286 k = 0.5000 0.1002-0.1707 ( 3152 PWs) bands (ev): -21.3898 -21.3897 -15.8905 -15.8882 -15.8276 -15.8252 -6.2977 -6.2306 -6.1507 -6.1440 -6.1070 -6.0151 -4.0941 -4.0351 -3.9816 -3.9730 -3.9536 -3.9255 -3.2959 -3.2403 -2.6694 -2.6518 -2.3617 -2.3541 -0.1904 -0.1854 0.8943 0.8967 1.6967 1.7105 2.1612 2.1834 3.3677 3.3743 3.4821 3.4892 3.9517 3.9657 8.5185 8.5666 10.2292 10.3551 10.7855 10.8953 11.2564 11.2811 k = 0.5000 0.1097-0.1808 ( 3152 PWs) bands (ev): -21.3887 -21.3886 -15.8908 -15.8883 -15.8299 -15.8273 -6.3063 -6.2433 -6.1507 -6.1448 -6.1042 -6.0169 -4.0970 -4.0363 -3.9809 -3.9719 -3.9542 -3.9259 -3.2806 -3.2243 -2.6553 -2.6368 -2.3624 -2.3548 -0.1948 -0.1897 0.8845 0.8873 1.7221 1.7355 2.1502 2.1734 3.3594 3.3661 3.4845 3.4915 3.9507 3.9656 8.5499 8.6032 10.1903 10.3290 10.7376 10.8856 11.2263 11.2325 k = 0.5000 0.1191-0.1908 ( 3142 PWs) bands (ev): -21.3876 -21.3875 -15.8911 -15.8885 -15.8322 -15.8295 -6.3153 -6.2564 -6.1507 -6.1454 -6.1016 -6.0189 -4.0994 -4.0373 -3.9803 -3.9707 -3.9547 -3.9263 -3.2645 -3.2079 -2.6411 -2.6220 -2.3630 -2.3554 -0.1977 -0.1924 0.8731 0.8763 1.7461 1.7590 2.1426 2.1666 3.3494 3.3564 3.4873 3.4942 3.9502 3.9662 8.5796 8.6388 10.1521 10.3028 10.6856 10.8764 11.1719 11.2045 k = 0.5000 0.1286-0.2008 ( 3144 PWs) bands (ev): -21.3864 -21.3863 -15.8914 -15.8887 -15.8346 -15.8318 -6.3249 -6.2696 -6.1508 -6.1458 -6.0993 -6.0210 -4.1014 -4.0381 -3.9797 -3.9696 -3.9551 -3.9267 -3.2479 -3.1913 -2.6271 -2.6073 -2.3633 -2.3559 -0.1989 -0.1934 0.8600 0.8636 1.7679 1.7800 2.1390 2.1636 3.3375 3.3449 3.4904 3.4972 3.9505 3.9675 8.6070 8.6726 10.1151 10.2767 10.6306 10.8670 11.1119 11.1788 k = 0.5000 0.1380-0.2109 ( 3140 PWs) bands (ev): -21.3852 -21.3851 -15.8917 -15.8889 -15.8371 -15.8341 -6.3351 -6.2829 -6.1510 -6.1461 -6.0974 -6.0229 -4.1028 -4.0385 -3.9792 -3.9684 -3.9554 -3.9271 -3.2307 -3.1746 -2.6134 -2.5931 -2.3634 -2.3562 -0.1983 -0.1927 0.8455 0.8496 1.7870 1.7980 2.1401 2.1648 3.3238 3.3316 3.4940 3.5007 3.9517 3.9697 8.6316 8.7043 10.0798 10.2509 10.5736 10.8567 11.0493 11.1537 k = 0.5000 0.1475-0.2209 ( 3140 PWs) bands (ev): -21.3839 -21.3839 -15.8921 -15.8891 -15.8396 -15.8365 -6.3461 -6.2962 -6.1512 -6.1461 -6.0960 -6.0247 -4.1037 -4.0387 -3.9786 -3.9675 -3.9555 -3.9273 -3.2133 -3.1579 -2.6002 -2.5793 -2.3632 -2.3564 -0.1958 -0.1901 0.8298 0.8342 1.8029 1.8125 2.1461 2.1706 3.3079 3.3164 3.4981 3.5046 3.9539 3.9729 8.6528 8.7331 10.0466 10.2256 10.5151 10.8439 10.9862 11.1294 k = 0.5000 0.1569-0.2309 ( 3142 PWs) bands (ev): -21.3827 -21.3826 -15.8925 -15.8894 -15.8422 -15.8390 -6.3578 -6.3094 -6.1516 -6.1460 -6.0949 -6.0262 -4.1040 -4.0385 -3.9780 -3.9667 -3.9553 -3.9275 -3.1956 -3.1413 -2.5875 -2.5662 -2.3625 -2.3563 -0.1914 -0.1856 0.8130 0.8178 1.8156 1.8237 2.1569 2.1808 3.2900 3.2991 3.5026 3.5090 3.9571 3.9771 8.6700 8.7586 10.0157 10.2007 10.4558 10.8243 10.9276 11.1060 k = 0.5000 0.1664-0.2410 ( 3142 PWs) bands (ev): -21.3813 -21.3813 -15.8928 -15.8897 -15.8447 -15.8415 -6.3702 -6.3225 -6.1519 -6.1457 -6.0943 -6.0274 -4.1038 -4.0379 -3.9775 -3.9662 -3.9546 -3.9275 -3.1778 -3.1249 -2.5754 -2.5539 -2.3615 -2.3559 -0.1851 -0.1791 0.7954 0.8006 1.8251 1.8317 2.1721 2.1951 3.2698 3.2796 3.5077 3.5139 3.9614 3.9823 8.6830 8.7802 9.9872 10.1762 10.3963 10.7878 10.8844 11.0839 k = 0.5000 0.1758-0.2510 ( 3144 PWs) bands (ev): -21.3800 -21.3799 -15.8933 -15.8900 -15.8473 -15.8440 -6.3833 -6.3355 -6.1522 -6.1452 -6.0941 -6.0283 -4.1031 -4.0371 -3.9768 -3.9661 -3.9535 -3.9274 -3.1601 -3.1088 -2.5642 -2.5424 -2.3600 -2.3550 -0.1768 -0.1707 0.7771 0.7827 1.8321 1.8373 2.1907 2.2127 3.2475 3.2581 3.5132 3.5193 3.9668 3.9886 8.6915 8.7977 9.9611 10.1521 10.3371 10.7310 10.8608 11.0635 k = 0.5000 0.1853-0.2610 ( 3146 PWs) bands (ev): -21.3787 -21.3786 -15.8937 -15.8904 -15.8499 -15.8465 -6.3970 -6.3485 -6.1525 -6.1447 -6.0942 -6.0288 -4.1018 -4.0359 -3.9761 -3.9662 -3.9521 -3.9271 -3.1427 -3.0933 -2.5538 -2.5318 -2.3583 -2.3536 -0.1665 -0.1603 0.7585 0.7645 1.8371 1.8411 2.2120 2.2329 3.2230 3.2344 3.5193 3.5252 3.9734 3.9959 8.6953 8.8107 9.9371 10.1279 10.2787 10.6638 10.8474 11.0450 k = 0.5000 0.1947-0.2711 ( 3150 PWs) bands (ev): -21.3773 -21.3772 -15.8941 -15.8909 -15.8524 -15.8490 -6.4111 -6.3615 -6.1527 -6.1441 -6.0946 -6.0291 -4.1001 -4.0343 -3.9754 -3.9665 -3.9503 -3.9267 -3.1257 -3.0784 -2.5442 -2.5220 -2.3563 -2.3515 -0.1544 -0.1480 0.7397 0.7460 1.8407 1.8438 2.2351 2.2548 3.1965 3.2087 3.5260 3.5317 3.9809 4.0042 8.6947 8.8190 9.9148 10.1032 10.2218 10.5930 10.8381 11.0288 k = 0.5000 0.2042-0.2811 ( 3154 PWs) bands (ev): -21.3759 -21.3758 -15.8946 -15.8913 -15.8549 -15.8515 -6.4255 -6.3747 -6.1527 -6.1434 -6.0951 -6.0291 -4.0978 -4.0324 -3.9745 -3.9669 -3.9484 -3.9262 -3.1092 -3.0642 -2.5355 -2.5130 -2.3541 -2.3488 -0.1403 -0.1338 0.7210 0.7276 1.8435 1.8459 2.2592 2.2778 3.1681 3.1811 3.5332 3.5388 3.9894 4.0134 8.6898 8.8225 9.8938 10.0771 10.1674 10.5210 10.8310 11.0152 k = 0.5000 0.2136-0.2912 ( 3152 PWs) bands (ev): -21.3745 -21.3745 -15.8951 -15.8918 -15.8574 -15.8540 -6.4401 -6.3880 -6.1527 -6.1426 -6.0958 -6.0290 -4.0951 -4.0302 -3.9736 -3.9672 -3.9463 -3.9255 -3.0935 -3.0510 -2.5274 -2.5048 -2.3519 -2.3455 -0.1244 -0.1178 0.7026 0.7095 1.8458 1.8479 2.2838 2.3012 3.1378 3.1516 3.5408 3.5464 3.9987 4.0233 8.6809 8.8214 9.8734 10.0479 10.1169 10.4490 10.8255 11.0044 k = 0.5000 0.2231-0.3012 ( 3152 PWs) bands (ev): -21.3731 -21.3731 -15.8956 -15.8924 -15.8598 -15.8565 -6.4548 -6.4015 -6.1524 -6.1417 -6.0964 -6.0288 -4.0919 -4.0276 -3.9726 -3.9676 -3.9441 -3.9248 -3.0787 -3.0388 -2.5200 -2.4971 -2.3495 -2.3419 -0.1067 -0.0999 0.6846 0.6917 1.8480 1.8500 2.3084 2.3246 3.1060 3.1206 3.5490 3.5544 4.0088 4.0339 8.6685 8.8158 9.8528 10.0134 10.0727 10.3776 10.8213 10.9966 k = 0.5000 0.2325-0.3112 ( 3152 PWs) bands (ev): -21.3718 -21.3717 -15.8962 -15.8930 -15.8622 -15.8589 -6.4695 -6.4151 -6.1520 -6.1408 -6.0971 -6.0285 -4.0883 -4.0248 -3.9716 -3.9678 -3.9418 -3.9239 -3.0649 -3.0277 -2.5130 -2.4898 -2.3470 -2.3381 -0.0873 -0.0804 0.6673 0.6745 1.8503 1.8522 2.3325 2.3477 3.0728 3.0882 3.5577 3.5630 4.0194 4.0449 8.6531 8.8060 9.8312 9.9731 10.0352 10.3073 10.8183 10.9917 k = 0.5000 0.2420-0.3213 ( 3154 PWs) bands (ev): -21.3704 -21.3703 -15.8968 -15.8936 -15.8645 -15.8612 -6.4841 -6.4290 -6.1514 -6.1399 -6.0976 -6.0283 -4.0842 -4.0216 -3.9705 -3.9679 -3.9394 -3.9230 -3.0524 -3.0179 -2.5062 -2.4829 -2.3445 -2.3343 -0.0663 -0.0593 0.6507 0.6581 1.8529 1.8548 2.3560 2.3700 3.0384 3.0546 3.5668 3.5719 4.0305 4.0564 8.6351 8.7923 9.8077 9.9300 10.0018 10.2384 10.8165 10.9893 k = 0.5000 0.2514-0.3313 ( 3154 PWs) bands (ev): -21.3690 -21.3690 -15.8973 -15.8943 -15.8666 -15.8635 -6.4985 -6.4430 -6.1506 -6.1389 -6.0981 -6.0280 -4.0798 -4.0182 -3.9694 -3.9677 -3.9370 -3.9220 -3.0411 -3.0094 -2.4995 -2.4760 -2.3421 -2.3307 -0.0437 -0.0366 0.6350 0.6425 1.8556 1.8576 2.3786 2.3915 3.0032 3.0202 3.5763 3.5813 4.0418 4.0680 8.6150 8.7752 9.7816 9.8874 9.9693 10.1710 10.8159 10.9888 k = 0.5000 0.2609-0.3413 ( 3158 PWs) bands (ev): -21.3677 -21.3676 -15.8979 -15.8950 -15.8687 -15.8657 -6.5127 -6.4570 -6.1496 -6.1379 -6.0984 -6.0278 -4.0750 -4.0146 -3.9685 -3.9672 -3.9346 -3.9210 -3.0313 -3.0024 -2.4928 -2.4691 -2.3397 -2.3272 -0.0197 -0.0125 0.6202 0.6277 1.8586 1.8605 2.4001 2.4120 2.9674 2.9851 3.5861 3.5910 4.0533 4.0796 8.5934 8.7551 9.7522 9.8470 9.9365 10.1055 10.8164 10.9892 k = 0.5000 0.2703-0.3514 ( 3158 PWs) bands (ev): -21.3664 -21.3663 -15.8986 -15.8958 -15.8707 -15.8679 -6.5266 -6.4711 -6.1484 -6.1368 -6.0986 -6.0278 -4.0699 -4.0108 -3.9680 -3.9661 -3.9322 -3.9199 -3.0229 -2.9968 -2.4858 -2.4622 -2.3376 -2.3242 0.0056 0.0128 0.6065 0.6140 1.8616 1.8636 2.4206 2.4314 2.9314 2.9498 3.5962 3.6009 4.0648 4.0912 8.5707 8.7324 9.7195 9.8095 9.9025 10.0421 10.8179 10.9886 k = 0.5000 0.2798-0.3614 ( 3158 PWs) bands (ev): -21.3651 -21.3651 -15.8992 -15.8966 -15.8726 -15.8699 -6.5402 -6.4852 -6.1470 -6.1357 -6.0987 -6.0278 -4.0645 -4.0068 -3.9674 -3.9647 -3.9298 -3.9187 -3.0161 -2.9927 -2.4784 -2.4550 -2.3357 -2.3215 0.0321 0.0394 0.5938 0.6012 1.8646 1.8665 2.4398 2.4495 2.8954 2.9145 3.6065 3.6111 4.0761 4.1025 8.5472 8.7076 9.6843 9.7742 9.8674 9.9809 10.8203 10.9849 k = 0.5000 0.2892-0.3715 ( 3164 PWs) bands (ev): -21.3639 -21.3638 -15.8999 -15.8974 -15.8744 -15.8719 -6.5533 -6.4992 -6.1454 -6.1346 -6.0986 -6.0280 -4.0588 -4.0026 -3.9668 -3.9633 -3.9274 -3.9176 -3.0109 -2.9899 -2.4707 -2.4476 -2.3341 -2.3194 0.0596 0.0670 0.5822 0.5895 1.8673 1.8692 2.4579 2.4665 2.8600 2.8796 3.6170 3.6215 4.0872 4.1135 8.5232 8.6810 9.6477 9.7404 9.8311 9.9220 10.8234 10.9768 k = 0.5000 0.2987-0.3815 ( 3168 PWs) bands (ev): -21.3627 -21.3626 -15.9005 -15.8983 -15.8760 -15.8737 -6.5660 -6.5130 -6.1437 -6.1335 -6.0984 -6.0283 -4.0529 -3.9984 -3.9661 -3.9618 -3.9250 -3.9164 -3.0071 -2.9886 -2.4626 -2.4399 -2.3329 -2.3177 0.0881 0.0955 0.5717 0.5788 1.8694 1.8714 2.4746 2.4822 2.8255 2.8456 3.6276 3.6319 4.0978 4.1239 8.4992 8.6532 9.6108 9.7070 9.7940 9.8658 10.8271 10.9651 k = 0.5000 0.3081-0.3915 ( 3172 PWs) bands (ev): -21.3615 -21.3614 -15.9012 -15.8992 -15.8775 -15.8755 -6.5781 -6.5267 -6.1419 -6.1324 -6.0980 -6.0287 -4.0469 -3.9942 -3.9652 -3.9603 -3.9227 -3.9152 -3.0048 -2.9885 -2.4541 -2.4320 -2.3319 -2.3165 0.1174 0.1248 0.5622 0.5691 1.8707 1.8727 2.4902 2.4967 2.7923 2.8128 3.6383 3.6424 4.1080 4.1337 8.4754 8.6245 9.5744 9.6736 9.7563 9.8124 10.8312 10.9520 k = 0.5000 0.3176-0.4016 ( 3172 PWs) bands (ev): -21.3604 -21.3603 -15.9019 -15.9001 -15.8790 -15.8771 -6.5897 -6.5400 -6.1399 -6.1313 -6.0974 -6.0294 -4.0407 -3.9899 -3.9641 -3.9587 -3.9204 -3.9140 -3.0039 -2.9896 -2.4452 -2.4239 -2.3312 -2.3158 0.1473 0.1547 0.5537 0.5604 1.8709 1.8729 2.5045 2.5099 2.7609 2.7815 3.6489 3.6529 4.1175 4.1429 8.4520 8.5952 9.5391 9.6398 9.7185 9.7619 10.8356 10.9390 k = 0.5000 0.3270-0.4116 ( 3168 PWs) bands (ev): -21.3593 -21.3592 -15.9026 -15.9010 -15.8802 -15.8787 -6.6007 -6.5530 -6.1379 -6.1302 -6.0966 -6.0302 -4.0344 -3.9857 -3.9629 -3.9571 -3.9183 -3.9129 -3.0041 -2.9917 -2.4361 -2.4157 -2.3309 -2.3156 0.1777 0.1849 0.5462 0.5525 1.8698 1.8718 2.5177 2.5220 2.7316 2.7523 3.6594 3.6632 4.1264 4.1512 8.4292 8.5657 9.5051 9.6055 9.6810 9.7145 10.8401 10.9269 k = 0.5000 0.3365-0.4216 ( 3166 PWs) bands (ev): -21.3583 -21.3582 -15.9033 -15.9019 -15.8814 -15.8801 -6.6111 -6.5656 -6.1358 -6.1292 -6.0957 -6.0312 -4.0281 -3.9817 -3.9615 -3.9555 -3.9162 -3.9118 -3.0055 -2.9948 -2.4267 -2.4075 -2.3307 -2.3158 0.2082 0.2154 0.5395 0.5456 1.8671 1.8690 2.5296 2.5330 2.7050 2.7255 3.6697 3.6734 4.1346 4.1587 8.4072 8.5363 9.4728 9.5709 9.6443 9.6703 10.8446 10.9162 k = 0.5000 0.3459-0.4317 ( 3174 PWs) bands (ev): -21.3573 -21.3572 -15.9040 -15.9028 -15.8825 -15.8814 -6.6208 -6.5777 -6.1338 -6.1281 -6.0945 -6.0323 -4.0218 -3.9779 -3.9599 -3.9539 -3.9142 -3.9107 -3.0077 -2.9985 -2.4174 -2.3993 -2.3308 -2.3163 0.2389 0.2459 0.5337 0.5394 1.8625 1.8643 2.5405 2.5428 2.6812 2.7013 3.6798 3.6833 4.1420 4.1652 8.3862 8.5073 9.4421 9.5362 9.6089 9.6292 10.8489 10.9070 k = 0.5000 0.3554-0.4417 ( 3176 PWs) bands (ev): -21.3564 -21.3563 -15.9046 -15.9037 -15.8835 -15.8826 -6.6297 -6.5893 -6.1318 -6.1271 -6.0931 -6.0337 -4.0155 -3.9745 -3.9581 -3.9522 -3.9124 -3.9097 -3.0107 -3.0028 -2.4081 -2.3913 -2.3310 -2.3171 0.2693 0.2762 0.5287 0.5340 1.8560 1.8577 2.5502 2.5515 2.6606 2.6800 3.6896 3.6928 4.1486 4.1709 8.3663 8.4789 9.4133 9.5017 9.5753 9.5912 10.8530 10.8994 k = 0.5000 0.3648-0.4518 ( 3180 PWs) bands (ev): -21.3555 -21.3555 -15.9053 -15.9045 -15.8844 -15.8837 -6.6379 -6.6003 -6.1300 -6.1262 -6.0915 -6.0352 -4.0094 -3.9714 -3.9561 -3.9506 -3.9107 -3.9087 -3.0143 -3.0076 -2.3990 -2.3837 -2.3312 -2.3182 0.2992 0.3060 0.5244 0.5293 1.8476 1.8491 2.5589 2.5592 2.6434 2.6618 3.6989 3.7020 4.1545 4.1757 8.3477 8.4515 9.3864 9.4679 9.5438 9.5562 10.8568 10.8933 k = 0.5000 0.3743-0.4618 ( 3178 PWs) bands (ev): -21.3547 -21.3547 -15.9059 -15.9053 -15.8852 -15.8847 -6.6454 -6.6107 -6.1282 -6.1253 -6.0897 -6.0369 -4.0035 -3.9689 -3.9538 -3.9490 -3.9092 -3.9078 -3.0182 -3.0126 -2.3902 -2.3764 -2.3315 -2.3195 0.3284 0.3349 0.5208 0.5253 1.8374 1.8387 2.5658 2.5666 2.6296 2.6465 3.7078 3.7107 4.1597 4.1795 8.3305 8.4252 9.3615 9.4354 9.5146 9.5242 10.8602 10.8887 k = 0.5000 0.3837-0.4718 ( 3174 PWs) bands (ev): -21.3540 -21.3540 -15.9065 -15.9060 -15.8860 -15.8855 -6.6520 -6.6204 -6.1266 -6.1244 -6.0876 -6.0387 -3.9979 -3.9668 -3.9514 -3.9473 -3.9079 -3.9069 -3.0224 -3.0176 -2.3819 -2.3698 -2.3316 -2.3209 0.3565 0.3627 0.5178 0.5218 1.8257 1.8268 2.5713 2.5732 2.6190 2.6341 3.7162 3.7188 4.1641 4.1826 8.3150 8.4003 9.3388 9.4045 9.4879 9.4950 10.8631 10.8855 k = 0.5000 0.3932-0.4819 ( 3180 PWs) bands (ev): -21.3534 -21.3533 -15.9070 -15.9067 -15.8866 -15.8863 -6.6578 -6.6294 -6.1252 -6.1237 -6.0854 -6.0408 -3.9925 -3.9652 -3.9488 -3.9457 -3.9069 -3.9060 -3.0266 -3.0226 -2.3741 -2.3638 -2.3316 -2.3223 0.3831 0.3890 0.5154 0.5189 1.8129 1.8137 2.5758 2.5788 2.6115 2.6245 3.7239 3.7262 4.1680 4.1848 8.3011 8.3770 9.3182 9.3758 9.4636 9.4688 10.8655 10.8833 k = 0.5000 0.4026-0.4919 ( 3182 PWs) bands (ev): -21.3528 -21.3527 -15.9075 -15.9073 -15.8872 -15.8870 -6.6628 -6.6377 -6.1240 -6.1229 -6.0829 -6.0430 -3.9876 -3.9640 -3.9463 -3.9440 -3.9061 -3.9051 -3.0307 -3.0274 -2.3671 -2.3587 -2.3314 -2.3236 0.4079 0.4133 0.5137 0.5167 1.7995 1.8000 2.5793 2.5834 2.6069 2.6172 3.7309 3.7330 4.1712 4.1864 8.2890 8.3554 9.3000 9.3495 9.4421 9.4456 10.8675 10.8821 k = 0.5000 0.4121-0.5019 ( 3186 PWs) bands (ev): -21.3523 -21.3522 -15.9080 -15.9078 -15.8877 -15.8875 -6.6668 -6.6452 -6.1230 -6.1223 -6.0802 -6.0453 -3.9830 -3.9633 -3.9440 -3.9424 -3.9054 -3.9044 -3.0346 -3.0319 -2.3609 -2.3545 -2.3308 -2.3248 0.4302 0.4352 0.5126 0.5151 1.7860 1.7863 2.5818 2.5870 2.6047 2.6121 3.7372 3.7390 4.1740 4.1873 8.2789 8.3358 9.2843 9.3259 9.4232 9.4254 10.8693 10.8815 k = 0.5567 0.4653 0.3812 ( 3186 PWs) bands (ev): -21.3523 -21.3522 -15.9080 -15.9078 -15.8877 -15.8875 -6.6668 -6.6452 -6.1230 -6.1223 -6.0802 -6.0453 -3.9830 -3.9633 -3.9440 -3.9424 -3.9054 -3.9044 -3.0346 -3.0319 -2.3609 -2.3545 -2.3308 -2.3248 0.4302 0.4352 0.5126 0.5151 1.7860 1.7863 2.5818 2.5870 2.6047 2.6121 3.7372 3.7390 4.1740 4.1873 8.2789 8.3358 9.2843 9.3259 9.4232 9.4254 10.8693 10.8815 k = 0.5473 0.4659 0.3912 ( 3186 PWs) bands (ev): -21.3518 -21.3518 -15.9084 -15.9082 -15.8881 -15.8880 -6.6700 -6.6519 -6.1221 -6.1217 -6.0774 -6.0478 -3.9789 -3.9628 -3.9419 -3.9409 -3.9049 -3.9038 -3.0380 -3.0359 -2.3557 -2.3513 -2.3299 -2.3257 0.4497 0.4542 0.5123 0.5142 1.7732 1.7733 2.5836 2.5896 2.6042 2.6088 3.7426 3.7441 4.1764 4.1877 8.2708 8.3181 9.2711 9.3052 9.4070 9.4083 10.8708 10.8812 k = 0.5378 0.4665 0.4013 ( 3186 PWs) bands (ev): -21.3515 -21.3515 -15.9087 -15.9086 -15.8884 -15.8884 -6.6723 -6.6577 -6.1215 -6.1213 -6.0744 -6.0505 -3.9753 -3.9627 -3.9400 -3.9395 -3.9045 -3.9034 -3.0410 -3.0394 -2.3516 -2.3490 -2.3288 -2.3263 0.4656 0.4694 0.5130 0.5143 1.7615 1.7616 2.5851 2.5911 2.6045 2.6069 3.7472 3.7484 4.1784 4.1876 8.2648 8.3027 9.2606 9.2874 9.3936 9.3943 10.8724 10.8809 k = 0.5284 0.4671 0.4113 ( 3180 PWs) bands (ev): -21.3512 -21.3512 -15.9089 -15.9089 -15.8887 -15.8887 -6.6737 -6.6627 -6.1210 -6.1209 -6.0714 -6.0533 -3.9722 -3.9629 -3.9386 -3.9384 -3.9041 -3.9031 -3.0434 -3.0422 -2.3486 -2.3474 -2.3277 -2.3265 0.4774 0.4803 0.5149 0.5157 1.7517 1.7518 2.5865 2.5918 2.6052 2.6062 3.7508 3.7518 4.1802 4.1872 8.2612 8.2895 9.2530 9.2729 9.3832 9.3834 10.8739 10.8806 k = 0.5189 0.4677 0.4214 ( 3184 PWs) bands (ev): -21.3510 -21.3510 -15.9091 -15.9091 -15.8889 -15.8889 -6.6742 -6.6668 -6.1206 -6.1206 -6.0683 -6.0561 -3.9696 -3.9635 -3.9375 -3.9374 -3.9037 -3.9030 -3.0451 -3.0443 -2.3468 -2.3463 -2.3268 -2.3264 0.4848 0.4867 0.5177 0.5180 1.7443 1.7444 2.5879 2.5917 2.6058 2.6061 3.7535 3.7541 4.1818 4.1865 8.2598 8.2787 9.2484 9.2615 9.3756 9.3757 10.8754 10.8800 k = 0.5095 0.4684 0.4315 ( 3190 PWs) bands (ev): -21.3509 -21.3509 -15.9092 -15.9092 -15.8890 -15.8890 -6.6737 -6.6700 -6.1204 -6.1204 -6.0652 -6.0591 -3.9675 -3.9644 -3.9369 -3.9369 -3.9034 -3.9031 -3.0461 -3.0457 -2.3458 -2.3457 -2.3262 -2.3262 0.4887 0.4896 0.5203 0.5203 1.7397 1.7398 2.5891 2.5912 2.6061 2.6062 3.7552 3.7555 4.1832 4.1856 8.2609 8.2703 9.2469 9.2534 9.3711 9.3711 10.8768 10.8791 k = 0.5000 0.4690 0.4415 ( 3198 PWs) bands (ev): -21.3508 -21.3508 -15.9093 -15.9093 -15.8890 -15.8890 -6.6723 -6.6723 -6.1204 -6.1204 -6.0621 -6.0621 -3.9657 -3.9657 -3.9367 -3.9367 -3.9032 -3.9032 -3.0463 -3.0463 -2.3455 -2.3455 -2.3261 -2.3261 0.4902 0.4902 0.5212 0.5212 1.7382 1.7382 2.5903 2.5903 2.6062 2.6062 3.7558 3.7558 4.1845 4.1845 8.2644 8.2644 9.2485 9.2485 9.3695 9.3695 10.8780 10.8780 k = 0.5000 0.4690 0.4415 ( 3198 PWs) bands (ev): -21.3508 -21.3508 -15.9093 -15.9093 -15.8890 -15.8890 -6.6723 -6.6723 -6.1204 -6.1204 -6.0621 -6.0621 -3.9657 -3.9657 -3.9367 -3.9367 -3.9032 -3.9032 -3.0463 -3.0463 -2.3455 -2.3455 -2.3261 -2.3261 0.4902 0.4902 0.5212 0.5212 1.7382 1.7382 2.5903 2.5903 2.6062 2.6062 3.7558 3.7558 4.1845 4.1845 8.2644 8.2644 9.2485 9.2485 9.3695 9.3695 10.8780 10.8780 k = 0.4914 0.4609 0.4339 ( 3198 PWs) bands (ev): -21.3509 -21.3509 -15.9092 -15.9092 -15.8890 -15.8890 -6.6719 -6.6719 -6.1204 -6.1204 -6.0622 -6.0622 -3.9658 -3.9658 -3.9371 -3.9363 -3.9033 -3.9033 -3.0466 -3.0466 -2.3459 -2.3459 -2.3271 -2.3257 0.4907 0.4907 0.5214 0.5221 1.7378 1.7378 2.5900 2.5900 2.6059 2.6060 3.7556 3.7556 4.1851 4.1851 8.2641 8.2641 9.2488 9.2488 9.3703 9.3704 10.8788 10.8788 k = 0.4828 0.4528 0.4263 ( 3180 PWs) bands (ev): -21.3511 -21.3511 -15.9090 -15.9090 -15.8888 -15.8888 -6.6706 -6.6706 -6.1204 -6.1204 -6.0625 -6.0625 -3.9658 -3.9658 -3.9377 -3.9361 -3.9037 -3.9037 -3.0476 -3.0476 -2.3469 -2.3469 -2.3288 -2.3261 0.4922 0.4922 0.5225 0.5239 1.7366 1.7366 2.5891 2.5891 2.6050 2.6053 3.7550 3.7550 4.1868 4.1868 8.2635 8.2635 9.2494 9.2494 9.3727 9.3729 10.8812 10.8812 k = 0.4741 0.4447 0.4187 ( 3171 PWs) bands (ev): -21.3513 -21.3513 -15.9087 -15.9087 -15.8885 -15.8885 -6.6685 -6.6685 -6.1205 -6.1205 -6.0630 -6.0630 -3.9658 -3.9658 -3.9385 -3.9361 -3.9042 -3.9042 -3.0492 -3.0492 -2.3487 -2.3487 -2.3312 -2.3271 0.4947 0.4947 0.5247 0.5266 1.7347 1.7347 2.5877 2.5877 2.6036 2.6040 3.7540 3.7540 4.1897 4.1897 8.2625 8.2625 9.2506 9.2506 9.3768 9.3771 10.8852 10.8852 k = 0.4655 0.4366 0.4111 ( 3165 PWs) bands (ev): -21.3517 -21.3517 -15.9083 -15.9083 -15.8881 -15.8880 -6.6656 -6.6656 -6.1206 -6.1206 -6.0637 -6.0637 -3.9658 -3.9658 -3.9394 -3.9362 -3.9050 -3.9050 -3.0514 -3.0514 -2.3511 -2.3511 -2.3343 -2.3289 0.4981 0.4981 0.5277 0.5303 1.7320 1.7320 2.5858 2.5858 2.6016 2.6021 3.7525 3.7525 4.1936 4.1936 8.2612 8.2612 9.2522 9.2522 9.3825 9.3829 10.8908 10.8908 k = 0.4569 0.4285 0.4035 ( 3159 PWs) bands (ev): -21.3522 -21.3522 -15.9078 -15.9078 -15.8875 -15.8875 -6.6618 -6.6618 -6.1208 -6.1207 -6.0646 -6.0646 -3.9658 -3.9658 -3.9404 -3.9364 -3.9060 -3.9060 -3.0542 -3.0542 -2.3542 -2.3542 -2.3381 -2.3313 0.5026 0.5026 0.5318 0.5350 1.7286 1.7286 2.5832 2.5832 2.5991 2.5997 3.7506 3.7506 4.1984 4.1984 8.2597 8.2597 9.2546 9.2546 9.3898 9.3903 10.8979 10.8979 k = 0.4483 0.4204 0.3959 ( 3165 PWs) bands (ev): -21.3527 -21.3527 -15.9071 -15.9071 -15.8869 -15.8868 -6.6572 -6.6572 -6.1209 -6.1209 -6.0656 -6.0656 -3.9659 -3.9659 -3.9415 -3.9368 -3.9072 -3.9072 -3.0577 -3.0577 -2.3580 -2.3580 -2.3425 -2.3345 0.5080 0.5080 0.5367 0.5406 1.7245 1.7245 2.5801 2.5801 2.5960 2.5968 3.7483 3.7483 4.2039 4.2039 8.2579 8.2579 9.2576 9.2576 9.3987 9.3994 10.9067 10.9067 k = 0.4397 0.4124 0.3883 ( 3168 PWs) bands (ev): -21.3534 -21.3534 -15.9063 -15.9063 -15.8861 -15.8861 -6.6518 -6.6518 -6.1212 -6.1211 -6.0668 -6.0668 -3.9659 -3.9659 -3.9428 -3.9373 -3.9086 -3.9086 -3.0617 -3.0617 -2.3625 -2.3625 -2.3476 -2.3382 0.5143 0.5143 0.5426 0.5471 1.7197 1.7197 2.5765 2.5765 2.5924 2.5933 3.7456 3.7456 4.2100 4.2100 8.2562 8.2562 9.2616 9.2616 9.4094 9.4101 10.9170 10.9170 k = 0.4310 0.4043 0.3806 ( 3168 PWs) bands (ev): -21.3542 -21.3542 -15.9055 -15.9055 -15.8852 -15.8852 -6.6456 -6.6456 -6.1214 -6.1213 -6.0682 -6.0682 -3.9660 -3.9660 -3.9442 -3.9380 -3.9101 -3.9101 -3.0664 -3.0664 -2.3675 -2.3675 -2.3533 -2.3427 0.5215 0.5215 0.5494 0.5545 1.7143 1.7143 2.5723 2.5723 2.5882 2.5893 3.7425 3.7425 4.2164 4.2164 8.2546 8.2546 9.2665 9.2665 9.4216 9.4224 10.9288 10.9288 k = 0.4224 0.3962 0.3730 ( 3162 PWs) bands (ev): -21.3551 -21.3551 -15.9045 -15.9045 -15.8842 -15.8842 -6.6387 -6.6387 -6.1217 -6.1215 -6.0697 -6.0697 -3.9660 -3.9660 -3.9457 -3.9388 -3.9119 -3.9119 -3.0716 -3.0716 -2.3732 -2.3732 -2.3595 -2.3477 0.5297 0.5297 0.5571 0.5627 1.7083 1.7083 2.5676 2.5676 2.5836 2.5847 3.7390 3.7390 4.2229 4.2230 8.2533 8.2533 9.2726 9.2726 9.4355 9.4364 10.9422 10.9422 k = 0.4138 0.3881 0.3654 ( 3165 PWs) bands (ev): -21.3561 -21.3561 -15.9034 -15.9034 -15.8831 -15.8831 -6.6310 -6.6310 -6.1220 -6.1218 -6.0714 -6.0714 -3.9661 -3.9661 -3.9473 -3.9397 -3.9138 -3.9138 -3.0773 -3.0773 -2.3795 -2.3795 -2.3663 -2.3534 0.5387 0.5387 0.5657 0.5718 1.7018 1.7018 2.5623 2.5623 2.5784 2.5796 3.7352 3.7352 4.2294 4.2294 8.2525 8.2525 9.2799 9.2799 9.4511 9.4520 10.9571 10.9571 k = 0.4052 0.3800 0.3578 ( 3155 PWs) bands (ev): -21.3571 -21.3571 -15.9022 -15.9022 -15.8819 -15.8818 -6.6225 -6.6225 -6.1223 -6.1221 -6.0732 -6.0732 -3.9662 -3.9662 -3.9490 -3.9408 -3.9158 -3.9158 -3.0835 -3.0835 -2.3864 -2.3864 -2.3737 -2.3597 0.5486 0.5486 0.5751 0.5817 1.6947 1.6947 2.5566 2.5566 2.5728 2.5741 3.7310 3.7310 4.2354 4.2354 8.2524 8.2524 9.2887 9.2887 9.4683 9.4694 10.9735 10.9735 k = 0.3966 0.3719 0.3502 ( 3149 PWs) bands (ev): -21.3583 -21.3583 -15.9008 -15.9008 -15.8806 -15.8805 -6.6134 -6.6134 -6.1226 -6.1224 -6.0751 -6.0751 -3.9662 -3.9662 -3.9508 -3.9420 -3.9180 -3.9180 -3.0902 -3.0902 -2.3938 -2.3938 -2.3816 -2.3665 0.5592 0.5592 0.5852 0.5923 1.6873 1.6873 2.5503 2.5503 2.5667 2.5680 3.7264 3.7264 4.2408 4.2408 8.2533 8.2533 9.2991 9.2991 9.4872 9.4883 10.9914 10.9914 k = 0.3879 0.3638 0.3426 ( 3149 PWs) bands (ev): -21.3595 -21.3595 -15.8994 -15.8994 -15.8792 -15.8791 -6.6036 -6.6036 -6.1230 -6.1227 -6.0772 -6.0772 -3.9663 -3.9663 -3.9527 -3.9433 -3.9203 -3.9203 -3.0974 -3.0974 -2.4018 -2.4018 -2.3899 -2.3739 0.5707 0.5707 0.5962 0.6037 1.6794 1.6794 2.5435 2.5435 2.5600 2.5614 3.7215 3.7215 4.2453 4.2453 8.2553 8.2553 9.3112 9.3112 9.5078 9.5089 11.0107 11.0107 k = 0.3793 0.3558 0.3350 ( 3146 PWs) bands (ev): -21.3608 -21.3608 -15.8979 -15.8979 -15.8777 -15.8776 -6.5931 -6.5931 -6.1234 -6.1231 -6.0793 -6.0793 -3.9663 -3.9663 -3.9547 -3.9448 -3.9227 -3.9227 -3.1051 -3.1051 -2.4102 -2.4102 -2.3987 -2.3817 0.5829 0.5829 0.6079 0.6158 1.6711 1.6711 2.5362 2.5362 2.5529 2.5544 3.7163 3.7163 4.2487 4.2487 8.2587 8.2587 9.3250 9.3250 9.5300 9.5312 11.0314 11.0314 k = 0.3707 0.3477 0.3274 ( 3140 PWs) bands (ev): -21.3622 -21.3622 -15.8963 -15.8963 -15.8761 -15.8760 -6.5820 -6.5820 -6.1238 -6.1235 -6.0816 -6.0816 -3.9664 -3.9664 -3.9567 -3.9464 -3.9252 -3.9252 -3.1132 -3.1132 -2.4191 -2.4191 -2.4080 -2.3901 0.5957 0.5957 0.6203 0.6286 1.6625 1.6625 2.5284 2.5284 2.5454 2.5468 3.7108 3.7108 4.2507 4.2507 8.2638 8.2638 9.3408 9.3408 9.5539 9.5552 11.0536 11.0536 k = 0.3621 0.3396 0.3197 ( 3140 PWs) bands (ev): -21.3637 -21.3637 -15.8947 -15.8947 -15.8744 -15.8743 -6.5702 -6.5702 -6.1243 -6.1238 -6.0839 -6.0839 -3.9665 -3.9665 -3.9589 -3.9481 -3.9278 -3.9278 -3.1217 -3.1217 -2.4284 -2.4284 -2.4176 -2.3988 0.6093 0.6093 0.6333 0.6420 1.6536 1.6536 2.5202 2.5202 2.5374 2.5389 3.7051 3.7051 4.2511 4.2511 8.2708 8.2708 9.3586 9.3586 9.5794 9.5808 11.0771 11.0771 k = 0.3534 0.3315 0.3121 ( 3134 PWs) bands (ev): -21.3652 -21.3652 -15.8929 -15.8929 -15.8726 -15.8725 -6.5580 -6.5580 -6.1248 -6.1242 -6.0862 -6.0862 -3.9666 -3.9666 -3.9611 -3.9499 -3.9303 -3.9303 -3.1306 -3.1306 -2.4381 -2.4381 -2.4275 -2.4080 0.6234 0.6234 0.6469 0.6559 1.6445 1.6445 2.5116 2.5116 2.5291 2.5305 3.6990 3.6990 4.2499 4.2499 8.2799 8.2799 9.3785 9.3785 9.6066 9.6081 11.1020 11.1020 k = 0.3448 0.3234 0.3045 ( 3134 PWs) bands (ev): -21.3668 -21.3668 -15.8911 -15.8911 -15.8708 -15.8707 -6.5451 -6.5451 -6.1252 -6.1247 -6.0886 -6.0886 -3.9667 -3.9667 -3.9634 -3.9518 -3.9329 -3.9329 -3.1399 -3.1399 -2.4482 -2.4482 -2.4377 -2.4176 0.6382 0.6382 0.6612 0.6704 1.6351 1.6351 2.5025 2.5025 2.5203 2.5217 3.6927 3.6927 4.2468 4.2468 8.2912 8.2912 9.4006 9.4006 9.6355 9.6370 11.1281 11.1281 k = 0.3362 0.3153 0.2969 ( 3140 PWs) bands (ev): -21.3685 -21.3685 -15.8892 -15.8892 -15.8689 -15.8688 -6.5318 -6.5318 -6.1257 -6.1251 -6.0911 -6.0911 -3.9668 -3.9668 -3.9657 -3.9538 -3.9355 -3.9355 -3.1495 -3.1495 -2.4586 -2.4586 -2.4483 -2.4275 0.6534 0.6534 0.6759 0.6854 1.6255 1.6255 2.4930 2.4930 2.5111 2.5124 3.6862 3.6862 4.2417 4.2417 8.3049 8.3049 9.4248 9.4248 9.6661 9.6677 11.1555 11.1555 k = 0.3276 0.3072 0.2893 ( 3140 PWs) bands (ev): -21.3702 -21.3702 -15.8872 -15.8872 -15.8669 -15.8668 -6.5180 -6.5180 -6.1263 -6.1255 -6.0935 -6.0935 -3.9681 -3.9670 -3.9670 -3.9559 -3.9381 -3.9381 -3.1595 -3.1595 -2.4692 -2.4692 -2.4590 -2.4376 0.6691 0.6691 0.6911 0.7008 1.6158 1.6158 2.4832 2.4832 2.5016 2.5028 3.6795 3.6795 4.2346 4.2346 8.3212 8.3212 9.4513 9.4513 9.6984 9.7000 11.1840 11.1840 k = 0.3190 0.2992 0.2817 ( 3140 PWs) bands (ev): -21.3720 -21.3720 -15.8852 -15.8852 -15.8649 -15.8648 -6.5038 -6.5038 -6.1268 -6.1260 -6.0960 -6.0960 -3.9705 -3.9672 -3.9672 -3.9581 -3.9406 -3.9406 -3.1698 -3.1698 -2.4802 -2.4802 -2.4699 -2.4481 0.6853 0.6853 0.7067 0.7166 1.6059 1.6059 2.4729 2.4729 2.4917 2.4929 3.6726 3.6726 4.2255 4.2255 8.3399 8.3399 9.4800 9.4800 9.7323 9.7340 11.2137 11.2137 k = 0.3103 0.2911 0.2741 ( 3146 PWs) bands (ev): -21.3738 -21.3738 -15.8831 -15.8831 -15.8628 -15.8627 -6.4891 -6.4891 -6.1274 -6.1265 -6.0984 -6.0984 -3.9730 -3.9676 -3.9676 -3.9604 -3.9429 -3.9429 -3.1805 -3.1805 -2.4913 -2.4913 -2.4810 -2.4588 0.7018 0.7018 0.7228 0.7328 1.5959 1.5959 2.4624 2.4624 2.4815 2.4826 3.6655 3.6655 4.2144 4.2144 8.3613 8.3613 9.5109 9.5109 9.7678 9.7696 11.2445 11.2445 k = 0.3017 0.2830 0.2664 ( 3146 PWs) bands (ev): -21.3756 -21.3756 -15.8810 -15.8810 -15.8607 -15.8606 -6.4741 -6.4741 -6.1279 -6.1269 -6.1008 -6.1008 -3.9755 -3.9680 -3.9680 -3.9628 -3.9451 -3.9451 -3.1914 -3.1914 -2.5026 -2.5026 -2.4922 -2.4696 0.7186 0.7186 0.7391 0.7493 1.5857 1.5857 2.4515 2.4515 2.4710 2.4721 3.6583 3.6583 4.2014 4.2014 8.3852 8.3852 9.5441 9.5441 9.8050 9.8068 11.2762 11.2762 k = 0.2931 0.2749 0.2588 ( 3146 PWs) bands (ev): -21.3775 -21.3775 -15.8789 -15.8789 -15.8585 -15.8584 -6.4588 -6.4588 -6.1285 -6.1274 -6.1032 -6.1032 -3.9780 -3.9687 -3.9687 -3.9652 -3.9471 -3.9471 -3.2026 -3.2026 -2.5140 -2.5140 -2.5034 -2.4806 0.7357 0.7357 0.7557 0.7660 1.5755 1.5755 2.4404 2.4404 2.4603 2.4612 3.6510 3.6510 4.1866 4.1866 8.4116 8.4116 9.5794 9.5794 9.8439 9.8458 11.3090 11.3090 k = 0.2845 0.2668 0.2512 ( 3173 PWs) bands (ev): -21.3795 -21.3795 -15.8767 -15.8767 -15.8563 -15.8562 -6.4431 -6.4431 -6.1291 -6.1279 -6.1055 -6.1055 -3.9806 -3.9695 -3.9695 -3.9678 -3.9488 -3.9488 -3.2141 -3.2141 -2.5256 -2.5256 -2.5147 -2.4917 0.7531 0.7531 0.7726 0.7828 1.5652 1.5652 2.4290 2.4290 2.4493 2.4501 3.6435 3.6435 4.1701 4.1701 8.4403 8.4403 9.6169 9.6169 9.8843 9.8863 11.3426 11.3426 k = 0.2759 0.2587 0.2436 ( 3179 PWs) bands (ev): -21.3814 -21.3814 -15.8745 -15.8745 -15.8541 -15.8540 -6.4273 -6.4273 -6.1296 -6.1284 -6.1078 -6.1078 -3.9832 -3.9705 -3.9705 -3.9704 -3.9503 -3.9503 -3.2259 -3.2259 -2.5372 -2.5372 -2.5260 -2.5028 0.7706 0.7706 0.7896 0.7999 1.5548 1.5548 2.4173 2.4173 2.4381 2.4388 3.6360 3.6360 4.1522 4.1522 8.4713 8.4713 9.6563 9.6563 9.9263 9.9284 11.3770 11.3770 k = 0.2672 0.2506 0.2360 ( 3179 PWs) bands (ev): -21.3834 -21.3834 -15.8722 -15.8722 -15.8518 -15.8517 -6.4112 -6.4112 -6.1302 -6.1289 -6.1099 -6.1099 -3.9858 -3.9730 -3.9719 -3.9719 -3.9514 -3.9514 -3.2379 -3.2379 -2.5488 -2.5488 -2.5373 -2.5140 0.7882 0.7882 0.8068 0.8170 1.5443 1.5443 2.4056 2.4056 2.4267 2.4273 3.6284 3.6284 4.1330 4.1330 8.5043 8.5043 9.6978 9.6978 9.9699 9.9720 11.4122 11.4122 k = 0.2586 0.2426 0.2284 ( 3179 PWs) bands (ev): -21.3853 -21.3853 -15.8700 -15.8700 -15.8496 -15.8494 -6.3949 -6.3949 -6.1308 -6.1294 -6.1120 -6.1120 -3.9884 -3.9757 -3.9734 -3.9734 -3.9521 -3.9521 -3.2502 -3.2502 -2.5604 -2.5604 -2.5484 -2.5252 0.8059 0.8059 0.8240 0.8342 1.5337 1.5337 2.3936 2.3936 2.4152 2.4157 3.6208 3.6208 4.1127 4.1127 8.5392 8.5392 9.7411 9.7411 10.0150 10.0172 11.4481 11.4481 k = 0.2500 0.2345 0.2208 ( 3179 PWs) bands (ev): -21.3873 -21.3873 -15.8677 -15.8677 -15.8473 -15.8471 -6.3785 -6.3785 -6.1314 -6.1299 -6.1140 -6.1140 -3.9910 -3.9785 -3.9751 -3.9751 -3.9526 -3.9526 -3.2627 -3.2627 -2.5719 -2.5719 -2.5595 -2.5363 0.8235 0.8235 0.8413 0.8514 1.5232 1.5232 2.3815 2.3815 2.4036 2.4039 3.6132 3.6132 4.0916 4.0916 8.5758 8.5758 9.7860 9.7860 10.0616 10.0639 11.4846 11.4846 k = 0.2414 0.2264 0.2132 ( 3173 PWs) bands (ev): -21.3893 -21.3893 -15.8654 -15.8654 -15.8450 -15.8449 -6.3620 -6.3620 -6.1320 -6.1304 -6.1158 -6.1158 -3.9936 -3.9812 -3.9770 -3.9770 -3.9528 -3.9528 -3.2755 -3.2755 -2.5834 -2.5834 -2.5703 -2.5473 0.8412 0.8412 0.8585 0.8685 1.5125 1.5126 2.3694 2.3694 2.3919 2.3921 3.6056 3.6056 4.0699 4.0699 8.6137 8.6137 9.8325 9.8326 10.1096 10.1120 11.5216 11.5216 k = 0.2328 0.2183 0.2055 ( 3167 PWs) bands (ev): -21.3913 -21.3913 -15.8631 -15.8631 -15.8427 -15.8426 -6.3456 -6.3456 -6.1325 -6.1309 -6.1175 -6.1175 -3.9963 -3.9841 -3.9790 -3.9790 -3.9529 -3.9529 -3.2885 -3.2885 -2.5947 -2.5947 -2.5811 -2.5582 0.8587 0.8587 0.8756 0.8855 1.5019 1.5019 2.3572 2.3572 2.3802 2.3802 3.5981 3.5981 4.0477 4.0477 8.6529 8.6529 9.8805 9.8805 10.1590 10.1615 11.5591 11.5591 k = 0.2241 0.2102 0.1979 ( 3176 PWs) bands (ev): -21.3932 -21.3932 -15.8609 -15.8609 -15.8405 -15.8403 -6.3291 -6.3291 -6.1331 -6.1314 -6.1190 -6.1190 -3.9989 -3.9869 -3.9811 -3.9811 -3.9527 -3.9527 -3.3016 -3.3016 -2.6059 -2.6059 -2.5915 -2.5690 0.8761 0.8761 0.8926 0.9023 1.4912 1.4912 2.3450 2.3450 2.3683 2.3684 3.5905 3.5905 4.0255 4.0255 8.6931 8.6931 9.9295 9.9295 10.2097 10.2122 11.5968 11.5968 k = 0.2155 0.2021 0.1903 ( 3161 PWs) bands (ev): -21.3951 -21.3951 -15.8587 -15.8587 -15.8382 -15.8381 -6.3127 -6.3127 -6.1337 -6.1319 -6.1204 -6.1204 -4.0015 -3.9898 -3.9831 -3.9831 -3.9524 -3.9524 -3.3150 -3.3150 -2.6169 -2.6169 -2.6018 -2.5796 0.8933 0.8933 0.9095 0.9190 1.4806 1.4806 2.3328 2.3328 2.3564 2.3567 3.5831 3.5831 4.0033 4.0033 8.7339 8.7339 9.9796 9.9796 10.2615 10.2642 11.6349 11.6349 k = 0.2069 0.1941 0.1827 ( 3149 PWs) bands (ev): -21.3971 -21.3971 -15.8564 -15.8564 -15.8360 -15.8358 -6.2965 -6.2965 -6.1342 -6.1324 -6.1215 -6.1215 -4.0040 -3.9927 -3.9852 -3.9852 -3.9520 -3.9520 -3.3285 -3.3285 -2.6276 -2.6276 -2.6118 -2.5900 0.9102 0.9102 0.9261 0.9354 1.4699 1.4699 2.3207 2.3207 2.3446 2.3450 3.5758 3.5758 3.9813 3.9813 8.7753 8.7753 10.0305 10.0305 10.3145 10.3173 11.6731 11.6731 k = 0.1983 0.1860 0.1751 ( 3155 PWs) bands (ev): -21.3989 -21.3989 -15.8543 -15.8543 -15.8338 -15.8337 -6.2806 -6.2806 -6.1347 -6.1329 -6.1223 -6.1223 -4.0066 -3.9955 -3.9872 -3.9872 -3.9515 -3.9515 -3.3421 -3.3421 -2.6382 -2.6382 -2.6215 -2.6001 0.9269 0.9269 0.9424 0.9514 1.4593 1.4593 2.3087 2.3087 2.3329 2.3334 3.5686 3.5686 3.9598 3.9598 8.8170 8.8170 10.0820 10.0820 10.3684 10.3713 11.7114 11.7114 k = 0.1897 0.1779 0.1675 ( 3161 PWs) bands (ev): -21.4008 -21.4008 -15.8521 -15.8521 -15.8316 -15.8315 -6.2650 -6.2650 -6.1353 -6.1334 -6.1229 -6.1229 -4.0091 -3.9984 -3.9891 -3.9891 -3.9510 -3.9510 -3.3559 -3.3559 -2.6484 -2.6484 -2.6308 -2.6100 0.9431 0.9431 0.9584 0.9672 1.4487 1.4487 2.2969 2.2969 2.3213 2.3220 3.5615 3.5615 3.9389 3.9389 8.8586 8.8586 10.1337 10.1337 10.4233 10.4262 11.7497 11.7497 k = 0.1810 0.1698 0.1599 ( 3161 PWs) bands (ev): -21.4026 -21.4026 -15.8500 -15.8500 -15.8295 -15.8294 -6.2498 -6.2498 -6.1358 -6.1338 -6.1231 -6.1230 -4.0116 -4.0013 -3.9910 -3.9910 -3.9503 -3.9503 -3.3697 -3.3697 -2.6584 -2.6584 -2.6398 -2.6196 0.9590 0.9590 0.9741 0.9825 1.4382 1.4382 2.2852 2.2852 2.3100 2.3107 3.5546 3.5546 3.9187 3.9187 8.9001 8.9002 10.1856 10.1856 10.4788 10.4818 11.7879 11.7879 k = 0.1724 0.1617 0.1523 ( 3152 PWs) bands (ev): -21.4044 -21.4044 -15.8480 -15.8480 -15.8275 -15.8273 -6.2353 -6.2353 -6.1362 -6.1343 -6.1227 -6.1227 -4.0140 -4.0041 -3.9927 -3.9927 -3.9497 -3.9497 -3.3835 -3.3835 -2.6680 -2.6680 -2.6485 -2.6289 0.9745 0.9745 0.9893 0.9975 1.4279 1.4279 2.2738 2.2738 2.2988 2.2997 3.5479 3.5479 3.8995 3.8995 8.9413 8.9413 10.2374 10.2374 10.5348 10.5379 11.8259 11.8259 k = 0.1638 0.1536 0.1446 ( 3152 PWs) bands (ev): -21.4061 -21.4061 -15.8460 -15.8460 -15.8255 -15.8253 -6.2216 -6.2216 -6.1367 -6.1348 -6.1218 -6.1218 -4.0163 -4.0069 -3.9944 -3.9944 -3.9489 -3.9489 -3.3974 -3.3974 -2.6772 -2.6772 -2.6568 -2.6378 0.9895 0.9895 1.0041 1.0119 1.4176 1.4176 2.2627 2.2627 2.2879 2.2889 3.5414 3.5414 3.8812 3.8812 8.9818 8.9818 10.2887 10.2887 10.5912 10.5944 11.8636 11.8636 k = 0.1552 0.1455 0.1370 ( 3149 PWs) bands (ev): -21.4078 -21.4078 -15.8441 -15.8441 -15.8235 -15.8234 -6.2089 -6.2089 -6.1372 -6.1352 -6.1200 -6.1200 -4.0186 -4.0096 -3.9960 -3.9960 -3.9482 -3.9482 -3.4112 -3.4112 -2.6861 -2.6861 -2.6646 -2.6464 1.0039 1.0039 1.0184 1.0259 1.4076 1.4076 2.2519 2.2519 2.2773 2.2784 3.5351 3.5351 3.8639 3.8639 9.0215 9.0215 10.3395 10.3395 10.6478 10.6510 11.9009 11.9009 k = 0.1466 0.1375 0.1294 ( 3149 PWs) bands (ev): -21.4094 -21.4094 -15.8422 -15.8422 -15.8216 -15.8215 -6.1976 -6.1976 -6.1376 -6.1357 -6.1171 -6.1171 -4.0209 -4.0123 -3.9975 -3.9975 -3.9474 -3.9474 -3.4249 -3.4249 -2.6947 -2.6947 -2.6721 -2.6547 1.0178 1.0178 1.0321 1.0393 1.3977 1.3977 2.2414 2.2414 2.2671 2.2682 3.5290 3.5290 3.8478 3.8478 9.0602 9.0602 10.3893 10.3893 10.7042 10.7075 11.9377 11.9377 k = 0.1379 0.1294 0.1218 ( 3146 PWs) bands (ev): -21.4109 -21.4109 -15.8404 -15.8404 -15.8198 -15.8197 -6.1879 -6.1879 -6.1380 -6.1361 -6.1130 -6.1130 -4.0230 -4.0149 -3.9988 -3.9988 -3.9466 -3.9466 -3.4385 -3.4385 -2.7028 -2.7028 -2.6792 -2.6625 1.0311 1.0311 1.0453 1.0521 1.3881 1.3881 2.2312 2.2312 2.2572 2.2584 3.5232 3.5232 3.8328 3.8328 9.0977 9.0978 10.4381 10.4381 10.7603 10.7636 11.9739 11.9739 k = 0.1293 0.1213 0.1142 ( 3146 PWs) bands (ev): -21.4124 -21.4124 -15.8387 -15.8387 -15.8181 -15.8180 -6.1801 -6.1801 -6.1384 -6.1365 -6.1074 -6.1074 -4.0251 -4.0175 -4.0000 -4.0000 -3.9458 -3.9458 -3.4518 -3.4518 -2.7104 -2.7104 -2.6858 -2.6700 1.0437 1.0437 1.0579 1.0643 1.3788 1.3788 2.2216 2.2216 2.2477 2.2489 3.5176 3.5176 3.8190 3.8190 9.1339 9.1339 10.4856 10.4856 10.8157 10.8190 12.0093 12.0093 k = 0.1207 0.1132 0.1066 ( 3152 PWs) bands (ev): -21.4138 -21.4138 -15.8371 -15.8371 -15.8165 -15.8164 -6.1741 -6.1741 -6.1387 -6.1369 -6.1005 -6.1005 -4.0270 -4.0199 -4.0011 -4.0011 -3.9449 -3.9449 -3.4649 -3.4649 -2.7177 -2.7177 -2.6919 -2.6770 1.0557 1.0557 1.0698 1.0758 1.3699 1.3699 2.2123 2.2123 2.2387 2.2399 3.5124 3.5124 3.8064 3.8064 9.1685 9.1685 10.5315 10.5315 10.8701 10.8735 12.0439 12.0439 k = 0.1121 0.1051 0.0990 ( 3152 PWs) bands (ev): -21.4151 -21.4151 -15.8355 -15.8355 -15.8149 -15.8148 -6.1697 -6.1697 -6.1390 -6.1373 -6.0926 -6.0926 -4.0289 -4.0223 -4.0021 -4.0021 -3.9441 -3.9441 -3.4775 -3.4775 -2.7245 -2.7245 -2.6977 -2.6837 1.0670 1.0670 1.0811 1.0867 1.3613 1.3613 2.2036 2.2036 2.2301 2.2313 3.5074 3.5074 3.7950 3.7950 9.2014 9.2015 10.5756 10.5756 10.9232 10.9265 12.0774 12.0774 k = 0.1034 0.0970 0.0914 ( 3158 PWs) bands (ev): -21.4163 -21.4163 -15.8341 -15.8341 -15.8135 -15.8134 -6.1665 -6.1665 -6.1393 -6.1377 -6.0839 -6.0839 -4.0306 -4.0245 -4.0029 -4.0029 -3.9433 -3.9433 -3.4898 -3.4898 -2.7308 -2.7308 -2.7029 -2.6899 1.0776 1.0776 1.0917 1.0969 1.3531 1.3531 2.1953 2.1953 2.2220 2.2233 3.5027 3.5027 3.7847 3.7847 9.2325 9.2325 10.6177 10.6177 10.9746 10.9779 12.1098 12.1098 k = 0.0948 0.0889 0.0837 ( 3149 PWs) bands (ev): -21.4175 -21.4175 -15.8328 -15.8328 -15.8121 -15.8121 -6.1643 -6.1643 -6.1396 -6.1381 -6.0750 -6.0750 -4.0323 -4.0266 -4.0037 -4.0037 -3.9424 -3.9424 -3.5015 -3.5015 -2.7367 -2.7367 -2.7077 -2.6957 1.0874 1.0874 1.1015 1.1063 1.3455 1.3455 2.1876 2.1876 2.2145 2.2157 3.4984 3.4984 3.7755 3.7755 9.2616 9.2616 10.6575 10.6575 11.0240 11.0271 12.1409 12.1409 k = 0.0862 0.0809 0.0761 ( 3164 PWs) bands (ev): -21.4186 -21.4186 -15.8315 -15.8315 -15.8109 -15.8108 -6.1627 -6.1627 -6.1398 -6.1384 -6.0661 -6.0661 -4.0337 -4.0286 -4.0043 -4.0043 -3.9416 -3.9416 -3.5126 -3.5126 -2.7421 -2.7421 -2.7121 -2.7011 1.0964 1.0964 1.1106 1.1150 1.3383 1.3383 2.1805 2.1805 2.2076 2.2087 3.4944 3.4944 3.7673 3.7673 9.2885 9.2885 10.6949 10.6949 11.0708 11.0739 12.1705 12.1705 k = 0.0776 0.0728 0.0685 ( 3167 PWs) bands (ev): -21.4195 -21.4195 -15.8304 -15.8304 -15.8097 -15.8097 -6.1616 -6.1616 -6.1400 -6.1387 -6.0575 -6.0575 -4.0351 -4.0305 -4.0048 -4.0048 -3.9409 -3.9409 -3.5230 -3.5230 -2.7470 -2.7470 -2.7160 -2.7060 1.1046 1.1046 1.1189 1.1229 1.3317 1.3317 2.1740 2.1740 2.2012 2.2023 3.4908 3.4908 3.7602 3.7602 9.3132 9.3132 10.7295 10.7295 11.1148 11.1177 12.1983 12.1983 k = 0.0690 0.0647 0.0609 ( 3167 PWs) bands (ev): -21.4204 -21.4204 -15.8294 -15.8294 -15.8087 -15.8087 -6.1609 -6.1609 -6.1402 -6.1390 -6.0495 -6.0495 -4.0363 -4.0322 -4.0052 -4.0052 -3.9401 -3.9401 -3.5326 -3.5326 -2.7514 -2.7514 -2.7194 -2.7104 1.1120 1.1120 1.1264 1.1300 1.3256 1.3256 2.1681 2.1681 2.1955 2.1965 3.4875 3.4875 3.7540 3.7540 9.3355 9.3355 10.7612 10.7612 11.1555 11.1582 12.2243 12.2243 k = 0.0603 0.0566 0.0533 ( 3161 PWs) bands (ev): -21.4212 -21.4212 -15.8284 -15.8284 -15.8078 -15.8077 -6.1603 -6.1603 -6.1404 -6.1393 -6.0421 -6.0421 -4.0374 -4.0338 -4.0055 -4.0055 -3.9394 -3.9394 -3.5413 -3.5413 -2.7552 -2.7552 -2.7223 -2.7144 1.1186 1.1186 1.1331 1.1362 1.3202 1.3202 2.1629 2.1629 2.1904 2.1913 3.4846 3.4846 3.7487 3.7487 9.3554 9.3554 10.7898 10.7898 11.1925 11.1950 12.2480 12.2480 k = 0.0517 0.0485 0.0457 ( 3173 PWs) bands (ev): -21.4219 -21.4219 -15.8277 -15.8277 -15.8070 -15.8070 -6.1600 -6.1600 -6.1405 -6.1395 -6.0355 -6.0355 -4.0382 -4.0352 -4.0058 -4.0058 -3.9388 -3.9388 -3.5490 -3.5490 -2.7586 -2.7586 -2.7248 -2.7180 1.1244 1.1244 1.1390 1.1417 1.3155 1.3155 2.1583 2.1583 2.1859 2.1867 3.4820 3.4820 3.7443 3.7443 9.3728 9.3728 10.8151 10.8151 11.2255 11.2276 12.2693 12.2693 k = 0.0431 0.0404 0.0381 ( 3143 PWs) bands (ev): -21.4224 -21.4224 -15.8270 -15.8270 -15.8063 -15.8063 -6.1597 -6.1597 -6.1406 -6.1398 -6.0298 -6.0297 -4.0390 -4.0364 -4.0060 -4.0060 -3.9382 -3.9382 -3.5558 -3.5558 -2.7615 -2.7615 -2.7268 -2.7211 1.1293 1.1293 1.1441 1.1463 1.3114 1.3114 2.1544 2.1544 2.1821 2.1828 3.4799 3.4799 3.7406 3.7406 9.3876 9.3876 10.8368 10.8368 11.2540 11.2559 12.2880 12.2880 k = 0.0345 0.0323 0.0305 ( 3131 PWs) bands (ev): -21.4229 -21.4229 -15.8264 -15.8264 -15.8057 -15.8057 -6.1595 -6.1595 -6.1406 -6.1400 -6.0250 -6.0250 -4.0395 -4.0375 -4.0061 -4.0061 -3.9378 -3.9378 -3.5614 -3.5614 -2.7638 -2.7638 -2.7283 -2.7237 1.1333 1.1333 1.1482 1.1500 1.3080 1.3080 2.1512 2.1512 2.1790 2.1796 3.4781 3.4781 3.7377 3.7377 9.3998 9.3998 10.8548 10.8548 11.2779 11.2794 12.3037 12.3037 k = 0.0259 0.0243 0.0228 ( 3131 PWs) bands (ev): -21.4233 -21.4233 -15.8260 -15.8260 -15.8053 -15.8053 -6.1594 -6.1594 -6.1406 -6.1402 -6.0212 -6.0212 -4.0399 -4.0384 -4.0062 -4.0062 -3.9374 -3.9374 -3.5658 -3.5658 -2.7657 -2.7657 -2.7293 -2.7259 1.1364 1.1364 1.1516 1.1529 1.3054 1.3054 2.1487 2.1487 2.1766 2.1771 3.4767 3.4767 3.7355 3.7355 9.4093 9.4093 10.8690 10.8690 11.2967 11.2979 12.3162 12.3162 k = 0.0172 0.0162 0.0152 ( 3125 PWs) bands (ev): -21.4235 -21.4235 -15.8257 -15.8257 -15.8050 -15.8050 -6.1593 -6.1593 -6.1406 -6.1403 -6.0185 -6.0185 -4.0401 -4.0391 -4.0063 -4.0063 -3.9371 -3.9371 -3.5690 -3.5690 -2.7670 -2.7670 -2.7299 -2.7277 1.1386 1.1386 1.1540 1.1549 1.3035 1.3035 2.1469 2.1469 2.1749 2.1752 3.4757 3.4757 3.7339 3.7339 9.4161 9.4161 10.8792 10.8792 11.3104 11.3112 12.3253 12.3253 k = 0.0086 0.0081 0.0076 ( 3125 PWs) bands (ev): -21.4237 -21.4237 -15.8255 -15.8255 -15.8048 -15.8048 -6.1593 -6.1593 -6.1406 -6.1404 -6.0168 -6.0168 -4.0401 -4.0396 -4.0063 -4.0063 -3.9369 -3.9369 -3.5709 -3.5709 -2.7678 -2.7678 -2.7301 -2.7289 1.1400 1.1400 1.1555 1.1560 1.3024 1.3024 2.1458 2.1458 2.1739 2.1741 3.4751 3.4751 3.7330 3.7330 9.4202 9.4202 10.8854 10.8854 11.3188 11.3192 12.3308 12.3308 k = 0.0000 0.0000 0.0000 ( 3113 PWs) bands (ev): -21.4237 -21.4237 -15.8254 -15.8254 -15.8047 -15.8047 -6.1592 -6.1592 -6.1405 -6.1405 -6.0163 -6.0163 -4.0400 -4.0400 -4.0063 -4.0063 -3.9369 -3.9369 -3.5716 -3.5716 -2.7680 -2.7680 -2.7297 -2.7297 1.1404 1.1404 1.1562 1.1562 1.3020 1.3020 2.1454 2.1454 2.1737 2.1737 3.4749 3.4749 3.7327 3.7327 9.4216 9.4216 10.8875 10.8875 11.3217 11.3217 12.3327 12.3327 k = 0.0000 0.0000 0.0000 ( 3113 PWs) bands (ev): -21.4237 -21.4237 -15.8254 -15.8254 -15.8047 -15.8047 -6.1592 -6.1592 -6.1405 -6.1405 -6.0163 -6.0163 -4.0400 -4.0400 -4.0063 -4.0063 -3.9369 -3.9369 -3.5716 -3.5716 -2.7680 -2.7680 -2.7297 -2.7297 1.1404 1.1404 1.1562 1.1562 1.3020 1.3020 2.1454 2.1454 2.1737 2.1737 3.4749 3.4749 3.7327 3.7327 9.4216 9.4216 10.8875 10.8875 11.3217 11.3217 12.3327 12.3327 k = 0.0094-0.0006-0.0100 ( 3121 PWs) bands (ev): -21.4237 -21.4237 -15.8255 -15.8255 -15.8048 -15.8048 -6.1601 -6.1585 -6.1406 -6.1406 -6.0167 -6.0157 -4.0399 -4.0399 -4.0073 -4.0052 -3.9373 -3.9367 -3.5725 -3.5705 -2.7695 -2.7656 -2.7292 -2.7292 1.1268 1.1329 1.1505 1.1517 1.3104 1.3145 2.1465 2.1492 2.1764 2.1767 3.4748 3.4750 3.7327 3.7330 9.4173 9.4246 10.8833 10.8898 11.3202 11.3202 12.3289 12.3332 k = 0.0189-0.0012-0.0201 ( 3125 PWs) bands (ev): -21.4236 -21.4235 -15.8257 -15.8256 -15.8050 -15.8050 -6.1610 -6.1579 -6.1408 -6.1407 -6.0170 -6.0149 -4.0398 -4.0396 -4.0081 -4.0039 -3.9380 -3.9369 -3.5732 -3.5692 -2.7701 -2.7627 -2.7278 -2.7273 1.0907 1.0994 1.1466 1.1480 1.3328 1.3387 2.1512 2.1550 2.1859 2.1881 3.4746 3.4749 3.7331 3.7336 9.4118 9.4262 10.8771 10.8902 11.3158 11.3159 12.3218 12.3304 k = 0.0283-0.0018-0.0301 ( 3129 PWs) bands (ev): -21.4233 -21.4233 -15.8260 -15.8259 -15.8053 -15.8053 -6.1620 -6.1574 -6.1411 -6.1408 -6.0171 -6.0142 -4.0396 -4.0392 -4.0086 -4.0024 -3.9389 -3.9374 -3.5736 -3.5677 -2.7696 -2.7594 -2.7254 -2.7239 1.0425 1.0521 1.1433 1.1448 1.3586 1.3650 2.1564 2.1596 2.2048 2.2104 3.4743 3.4748 3.7338 3.7346 9.4049 9.4266 10.8687 10.8888 11.3086 11.3089 12.3115 12.3243 k = 0.0377-0.0024-0.0402 ( 3143 PWs) bands (ev): -21.4230 -21.4230 -15.8265 -15.8264 -15.8058 -15.8057 -6.1631 -6.1570 -6.1417 -6.1409 -6.0170 -6.0134 -4.0394 -4.0385 -4.0090 -4.0008 -3.9401 -3.9381 -3.5738 -3.5661 -2.7682 -2.7563 -2.7221 -2.7186 0.9881 0.9979 1.1392 1.1410 1.3833 1.3896 2.1607 2.1634 2.2335 2.2424 3.4740 3.4746 3.7349 3.7360 9.3966 9.4255 10.8578 10.8854 11.2991 11.2998 12.2982 12.3152 k = 0.0472-0.0030-0.0502 ( 3151 PWs) bands (ev): -21.4226 -21.4226 -15.8272 -15.8270 -15.8063 -15.8062 -6.1643 -6.1566 -6.1425 -6.1410 -6.0167 -6.0126 -4.0393 -4.0377 -4.0091 -3.9991 -3.9416 -3.9390 -3.5735 -3.5641 -2.7660 -2.7535 -2.7178 -2.7113 0.9300 0.9398 1.1342 1.1363 1.4052 1.4114 2.1645 2.1672 2.2705 2.2822 3.4736 3.4744 3.7364 3.7377 9.3870 9.4230 10.8440 10.8797 11.2878 11.2891 12.2819 12.3029 k = 0.0566-0.0036-0.0602 ( 3157 PWs) bands (ev): -21.4221 -21.4221 -15.8279 -15.8277 -15.8070 -15.8069 -6.1655 -6.1564 -6.1435 -6.1411 -6.0163 -6.0118 -4.0392 -4.0365 -4.0089 -3.9972 -3.9435 -3.9400 -3.5728 -3.5618 -2.7633 -2.7510 -2.7123 -2.7021 0.8695 0.8791 1.1283 1.1307 1.4242 1.4302 2.1683 2.1711 2.3143 2.3282 3.4731 3.4741 3.7382 3.7398 9.3757 9.4190 10.8270 10.8715 11.2754 11.2775 12.2628 12.2878 k = 0.0660-0.0042-0.0703 ( 3149 PWs) bands (ev): -21.4215 -21.4215 -15.8288 -15.8285 -15.8077 -15.8075 -6.1667 -6.1563 -6.1448 -6.1411 -6.0159 -6.0109 -4.0393 -4.0351 -4.0086 -3.9952 -3.9456 -3.9411 -3.5716 -3.5590 -2.7601 -2.7486 -2.7057 -2.6913 0.8074 0.8168 1.1215 1.1242 1.4406 1.4465 2.1721 2.1753 2.3633 2.3792 3.4727 3.4738 3.7404 3.7423 9.3630 9.4133 10.8063 10.8603 11.2625 11.2659 12.2411 12.2699 k = 0.0755-0.0048-0.0803 ( 3147 PWs) bands (ev): -21.4208 -21.4208 -15.8299 -15.8295 -15.8086 -15.8083 -6.1680 -6.1563 -6.1462 -6.1412 -6.0157 -6.0098 -4.0396 -4.0335 -4.0080 -3.9932 -3.9481 -3.9421 -3.5699 -3.5557 -2.7567 -2.7464 -2.6977 -2.6792 0.7446 0.7536 1.1140 1.1170 1.4548 1.4605 2.1761 2.1796 2.4165 2.4339 3.4722 3.4734 3.7430 3.7452 9.3485 9.4059 10.7817 10.8459 11.2499 11.2547 12.2169 12.2492 k = 0.0849-0.0054-0.0903 ( 3149 PWs) bands (ev): -21.4201 -21.4200 -15.8312 -15.8307 -15.8095 -15.8091 -6.1694 -6.1565 -6.1478 -6.1412 -6.0160 -6.0086 -4.0400 -4.0317 -4.0071 -3.9912 -3.9508 -3.9430 -3.5675 -3.5518 -2.7531 -2.7440 -2.6885 -2.6659 0.6815 0.6901 1.1057 1.1090 1.4671 1.4727 2.1800 2.1841 2.4727 2.4914 3.4717 3.4731 3.7460 3.7485 9.3324 9.3966 10.7530 10.8278 11.2384 11.2448 12.1904 12.2259 k = 0.0943-0.0061-0.1004 ( 3149 PWs) bands (ev): -21.4192 -21.4192 -15.8326 -15.8319 -15.8105 -15.8099 -6.1710 -6.1570 -6.1492 -6.1413 -6.0167 -6.0071 -4.0406 -4.0297 -4.0061 -3.9893 -3.9536 -3.9437 -3.5645 -3.5471 -2.7495 -2.7415 -2.6781 -2.6517 0.6185 0.6267 1.0969 1.1005 1.4782 1.4837 2.1839 2.1885 2.5311 2.5507 3.4712 3.4727 3.7495 3.7523 9.3144 9.3855 10.7203 10.8059 11.2286 11.2365 12.1616 12.2000 k = 0.1038-0.0067-0.1104 ( 3147 PWs) bands (ev): -21.4183 -21.4183 -15.8342 -15.8334 -15.8115 -15.8108 -6.1727 -6.1579 -6.1504 -6.1413 -6.0179 -6.0054 -4.0414 -4.0275 -4.0049 -3.9877 -3.9564 -3.9443 -3.5607 -3.5415 -2.7459 -2.7388 -2.6667 -2.6368 0.5562 0.5638 1.0875 1.0914 1.4882 1.4936 2.1877 2.1929 2.5908 2.6112 3.4708 3.4724 3.7533 3.7564 9.2947 9.3723 10.6837 10.7801 11.2208 11.2300 12.1307 12.1716 k = 0.1132-0.0073-0.1205 ( 3149 PWs) bands (ev): -21.4173 -21.4173 -15.8359 -15.8350 -15.8125 -15.8117 -6.1748 -6.1591 -6.1512 -6.1414 -6.0197 -6.0037 -4.0423 -4.0251 -4.0036 -3.9865 -3.9590 -3.9447 -3.5562 -3.5350 -2.7422 -2.7359 -2.6543 -2.6214 0.4947 0.5018 1.0778 1.0819 1.4976 1.5029 2.1912 2.1971 2.6511 2.6720 3.4704 3.4722 3.7576 3.7611 9.2731 9.3572 10.6436 10.7506 11.2152 11.2256 12.0976 12.1408 k = 0.1226-0.0079-0.1305 ( 3149 PWs) bands (ev): -21.4163 -21.4162 -15.8378 -15.8367 -15.8136 -15.8125 -6.1774 -6.1604 -6.1517 -6.1414 -6.0221 -6.0019 -4.0434 -4.0227 -4.0022 -3.9859 -3.9611 -3.9448 -3.5508 -3.5276 -2.7383 -2.7327 -2.6412 -2.6057 0.4344 0.4411 1.0678 1.0720 1.5065 1.5118 2.1944 2.2009 2.7114 2.7327 3.4701 3.4720 3.7624 3.7662 9.2498 9.3400 10.6004 10.7177 11.2119 11.2230 12.0625 12.1075 k = 0.1321-0.0085-0.1405 ( 3153 PWs) bands (ev): -21.4152 -21.4151 -15.8399 -15.8386 -15.8146 -15.8134 -6.1805 -6.1617 -6.1519 -6.1415 -6.0251 -6.0002 -4.0446 -4.0202 -4.0006 -3.9864 -3.9624 -3.9447 -3.5445 -3.5192 -2.7343 -2.7293 -2.6274 -2.5897 0.3756 0.3818 1.0575 1.0619 1.5152 1.5205 2.1972 2.2044 2.7713 2.7928 3.4698 3.4719 3.7676 3.7718 9.2248 9.3208 10.5549 10.6818 11.2106 11.2222 12.0254 12.0721 k = 0.1415-0.0091-0.1506 ( 3153 PWs) bands (ev): -21.4140 -21.4139 -15.8420 -15.8406 -15.8157 -15.8144 -6.1842 -6.1627 -6.1520 -6.1416 -6.0286 -5.9986 -4.0459 -4.0178 -3.9991 -3.9878 -3.9627 -3.9443 -3.5373 -3.5097 -2.7301 -2.7256 -2.6133 -2.5737 0.3186 0.3242 1.0471 1.0517 1.5239 1.5292 2.1995 2.2075 2.8302 2.8517 3.4697 3.4719 3.7734 3.7779 9.1981 9.2997 10.5075 10.6434 11.2110 11.2229 11.9863 12.0348 k = 0.1509-0.0097-0.1606 ( 3153 PWs) bands (ev): -21.4128 -21.4127 -15.8443 -15.8427 -15.8168 -15.8153 -6.1885 -6.1636 -6.1521 -6.1417 -6.0329 -5.9972 -4.0473 -4.0154 -3.9974 -3.9900 -3.9624 -3.9436 -3.5291 -3.4993 -2.7257 -2.7216 -2.5989 -2.5578 0.2635 0.2686 1.0367 1.0413 1.5327 1.5381 2.2013 2.2100 2.8877 2.9090 3.4697 3.4720 3.7796 3.7845 9.1701 9.2768 10.4588 10.6031 11.2128 11.2248 11.9452 11.9960 k = 0.1604-0.0103-0.1707 ( 3155 PWs) bands (ev): -21.4115 -21.4114 -15.8467 -15.8450 -15.8179 -15.8162 -6.1933 -6.1642 -6.1521 -6.1419 -6.0377 -5.9960 -4.0488 -4.0133 -3.9959 -3.9923 -3.9616 -3.9426 -3.5198 -3.4878 -2.7210 -2.7174 -2.5843 -2.5421 0.2106 0.2153 1.0263 1.0309 1.5416 1.5471 2.2024 2.2120 2.9434 2.9644 3.4699 3.4723 3.7863 3.7916 9.1407 9.2523 10.4094 10.5613 11.2154 11.2278 11.9023 11.9561 k = 0.1698-0.0109-0.1807 ( 3151 PWs) bands (ev): -21.4102 -21.4101 -15.8492 -15.8473 -15.8190 -15.8171 -6.1987 -6.1647 -6.1520 -6.1421 -6.0431 -5.9950 -4.0505 -4.0118 -3.9955 -3.9934 -3.9606 -3.9414 -3.5094 -3.4754 -2.7160 -2.7128 -2.5698 -2.5268 0.1601 0.1644 1.0161 1.0206 1.5508 1.5565 2.2030 2.2133 2.9970 3.0175 3.4701 3.4726 3.7936 3.7992 9.1103 9.2263 10.3597 10.5185 11.2182 11.2315 11.8577 11.9156 k = 0.1792-0.0115-0.1907 ( 3153 PWs) bands (ev): -21.4088 -21.4087 -15.8518 -15.8497 -15.8200 -15.8180 -6.2044 -6.1651 -6.1520 -6.1423 -6.0491 -5.9942 -4.0522 -4.0113 -3.9967 -3.9922 -3.9596 -3.9399 -3.4980 -3.4621 -2.7106 -2.7079 -2.5554 -2.5119 0.1122 0.1161 1.0059 1.0104 1.5603 1.5663 2.2028 2.2140 3.0481 3.0680 3.4706 3.4731 3.8013 3.8074 9.0790 9.1992 10.3102 10.4752 11.2206 11.2357 11.8115 11.8746 k = 0.1887-0.0121-0.2008 ( 3151 PWs) bands (ev): -21.4074 -21.4073 -15.8544 -15.8522 -15.8211 -15.8189 -6.2106 -6.1655 -6.1518 -6.1426 -6.0557 -5.9938 -4.0541 -4.0121 -3.9969 -3.9906 -3.9587 -3.9384 -3.4856 -3.4479 -2.7050 -2.7027 -2.5412 -2.4975 0.0670 0.0706 0.9959 1.0003 1.5703 1.5765 2.2019 2.2140 3.0964 3.1156 3.4711 3.4737 3.8096 3.8160 9.0472 9.1711 10.2613 10.4318 11.2221 11.2402 11.7640 11.8337 k = 0.1981-0.0127-0.2108 ( 3149 PWs) bands (ev): -21.4060 -21.4059 -15.8570 -15.8547 -15.8222 -15.8199 -6.2171 -6.1660 -6.1516 -6.1429 -6.0626 -5.9936 -4.0561 -4.0140 -3.9960 -3.9891 -3.9577 -3.9367 -3.4723 -3.4329 -2.6991 -2.6972 -2.5273 -2.4838 0.0249 0.0281 0.9861 0.9903 1.5807 1.5873 2.2004 2.2134 3.1417 3.1599 3.4718 3.4745 3.8184 3.8252 9.0151 9.1423 10.2133 10.3886 11.2220 11.2446 11.7153 11.7930 k = 0.2075-0.0133-0.2209 ( 3149 PWs) bands (ev): -21.4045 -21.4044 -15.8597 -15.8572 -15.8233 -15.8208 -6.2239 -6.1668 -6.1514 -6.1432 -6.0700 -5.9937 -4.0583 -4.0164 -3.9946 -3.9876 -3.9569 -3.9351 -3.4580 -3.4172 -2.6929 -2.6914 -2.5139 -2.4708 -0.0142 -0.0112 0.9765 0.9805 1.5915 1.5986 2.1981 2.2120 3.1836 3.2008 3.4726 3.4753 3.8276 3.8348 8.9831 9.1133 10.1666 10.3460 11.2199 11.2485 11.6658 11.7529 k = 0.2169-0.0139-0.2309 ( 3153 PWs) bands (ev): -21.4031 -21.4030 -15.8624 -15.8598 -15.8243 -15.8218 -6.2310 -6.1679 -6.1510 -6.1435 -6.0776 -5.9941 -4.0605 -4.0191 -3.9928 -3.9862 -3.9561 -3.9335 -3.4429 -3.4010 -2.6865 -2.6851 -2.5009 -2.4585 -0.0501 -0.0472 0.9672 0.9709 1.6029 1.6104 2.1952 2.2100 3.2219 3.2381 3.4735 3.4762 3.8373 3.8448 8.9513 9.0843 10.1213 10.3042 11.2154 11.2516 11.6156 11.7135 k = 0.2264-0.0145-0.2409 ( 3155 PWs) bands (ev): -21.4016 -21.4015 -15.8650 -15.8624 -15.8254 -15.8227 -6.2384 -6.1696 -6.1504 -6.1438 -6.0853 -5.9948 -4.0629 -4.0216 -3.9911 -3.9849 -3.9555 -3.9320 -3.4271 -3.3842 -2.6798 -2.6786 -2.4884 -2.4470 -0.0826 -0.0797 0.9580 0.9615 1.6149 1.6228 2.1916 2.2074 3.2566 3.2715 3.4745 3.4772 3.8474 3.8552 8.9202 9.0555 10.0777 10.2635 11.2080 11.2534 11.5650 11.6753 k = 0.2358-0.0151-0.2510 ( 3156 PWs) bands (ev): -21.4001 -21.4000 -15.8677 -15.8649 -15.8264 -15.8237 -6.2461 -6.1720 -6.1498 -6.1442 -6.0928 -5.9958 -4.0653 -4.0241 -3.9894 -3.9837 -3.9548 -3.9307 -3.4107 -3.3670 -2.6730 -2.6717 -2.4764 -2.4364 -0.1116 -0.1087 0.9491 0.9522 1.6274 1.6357 2.1874 2.2041 3.2873 3.3011 3.4755 3.4781 3.8579 3.8659 8.8900 9.0274 10.0360 10.2241 11.1973 11.2536 11.5142 11.6383 k = 0.2452-0.0157-0.2610 ( 3158 PWs) bands (ev): -21.3986 -21.3985 -15.8703 -15.8675 -15.8275 -15.8247 -6.2540 -6.1753 -6.1491 -6.1445 -6.1000 -5.9971 -4.0678 -4.0263 -3.9878 -3.9826 -3.9543 -3.9295 -3.3938 -3.3496 -2.6661 -2.6645 -2.4649 -2.4265 -0.1371 -0.1340 0.9403 0.9431 1.6404 1.6492 2.1827 2.2004 3.3141 3.3265 3.4764 3.4791 3.8687 3.8769 8.8610 9.0002 9.9963 10.1862 11.1832 11.2520 11.4633 11.6026 k = 0.2547-0.0163-0.2710 ( 3160 PWs) bands (ev): -21.3971 -21.3971 -15.8729 -15.8700 -15.8286 -15.8256 -6.2621 -6.1796 -6.1483 -6.1447 -6.1065 -5.9986 -4.0704 -4.0283 -3.9865 -3.9816 -3.9538 -3.9286 -3.3766 -3.3320 -2.6591 -2.6571 -2.4540 -2.4174 -0.1589 -0.1556 0.9317 0.9341 1.6539 1.6633 2.1776 2.1962 3.3368 3.3479 3.4772 3.4799 3.8797 3.8881 8.8333 8.9740 9.9588 10.1499 11.1654 11.2482 11.4126 11.5684 k = 0.2641-0.0169-0.2811 ( 3154 PWs) bands (ev): -21.3957 -21.3956 -15.8754 -15.8724 -15.8296 -15.8266 -6.2703 -6.1853 -6.1475 -6.1449 -6.1122 -6.0004 -4.0729 -4.0302 -3.9854 -3.9806 -3.9534 -3.9278 -3.3593 -3.3145 -2.6521 -2.6496 -2.4434 -2.4090 -0.1771 -0.1735 0.9231 0.9253 1.6680 1.6778 2.1720 2.1917 3.3554 3.3650 3.4780 3.4808 3.8910 3.8995 8.8074 8.9492 9.9236 10.1154 11.1440 11.2419 11.3626 11.5355 k = 0.2735-0.0175-0.2911 ( 3150 PWs) bands (ev): -21.3942 -21.3941 -15.8778 -15.8749 -15.8306 -15.8276 -6.2787 -6.1922 -6.1469 -6.1448 -6.1169 -6.0024 -4.0753 -4.0318 -3.9847 -3.9796 -3.9531 -3.9273 -3.3418 -3.2970 -2.6451 -2.6420 -2.4333 -2.4013 -0.1915 -0.1877 0.9147 0.9164 1.6824 1.6927 2.1663 2.1870 3.3696 3.3778 3.4788 3.4817 3.9023 3.9109 8.7832 8.9259 9.8908 10.0828 11.1194 11.2324 11.3138 11.5036 k = 0.2830-0.0182-0.3012 ( 3148 PWs) bands (ev): -21.3928 -21.3927 -15.8802 -15.8772 -15.8316 -15.8286 -6.2872 -6.2004 -6.1468 -6.1444 -6.1205 -6.0045 -4.0776 -4.0334 -3.9842 -3.9787 -3.9528 -3.9270 -3.3244 -3.2799 -2.6384 -2.6344 -2.4234 -2.3941 -0.2023 -0.1981 0.9062 0.9077 1.6973 1.7080 2.1605 2.1822 3.3793 3.3859 3.4798 3.4830 3.9137 3.9222 8.7609 8.9042 9.8605 10.0521 11.0918 11.2178 11.2684 11.4723 k = 0.2924-0.0188-0.3112 ( 3154 PWs) bands (ev): -21.3913 -21.3913 -15.8825 -15.8795 -15.8326 -15.8296 -6.2957 -6.2096 -6.1469 -6.1438 -6.1230 -6.0069 -4.0798 -4.0347 -3.9841 -3.9778 -3.9527 -3.9269 -3.3073 -3.2631 -2.6320 -2.6269 -2.4137 -2.3873 -0.2095 -0.2049 0.8977 0.8989 1.7123 1.7235 2.1548 2.1775 3.3843 3.3892 3.4813 3.4849 3.9251 3.9336 8.7407 8.8841 9.8328 10.0235 11.0617 11.1917 11.2330 11.4415 k = 0.3018-0.0194-0.3212 ( 3156 PWs) bands (ev): -21.3900 -21.3899 -15.8847 -15.8817 -15.8336 -15.8306 -6.3042 -6.2197 -6.1471 -6.1433 -6.1245 -6.0094 -4.0817 -4.0360 -3.9843 -3.9771 -3.9526 -3.9270 -3.2905 -3.2469 -2.6259 -2.6197 -2.4042 -2.3807 -0.2130 -0.2081 0.8891 0.8902 1.7274 1.7390 2.1494 2.1731 3.3843 3.3877 3.4834 3.4874 3.9365 3.9447 8.7226 8.8656 9.8078 9.9969 11.0297 11.1518 11.2100 11.4106 k = 0.3113-0.0200-0.3313 ( 3158 PWs) bands (ev): -21.3886 -21.3885 -15.8868 -15.8838 -15.8346 -15.8315 -6.3127 -6.2305 -6.1473 -6.1430 -6.1252 -6.0121 -4.0835 -4.0372 -3.9847 -3.9764 -3.9527 -3.9274 -3.2741 -3.2312 -2.6204 -2.6128 -2.3946 -2.3742 -0.2132 -0.2079 0.8802 0.8814 1.7425 1.7543 2.1446 2.1693 3.3791 3.3816 3.4863 3.4907 3.9476 3.9558 8.7066 8.8487 9.7855 9.9724 10.9963 11.1070 11.1908 11.3795 k = 0.3207-0.0206-0.3413 ( 3166 PWs) bands (ev): -21.3873 -21.3872 -15.8887 -15.8858 -15.8355 -15.8325 -6.3211 -6.2417 -6.1476 -6.1429 -6.1250 -6.0149 -4.0849 -4.0382 -3.9853 -3.9760 -3.9528 -3.9278 -3.2582 -3.2163 -2.6154 -2.6065 -2.3850 -2.3676 -0.2100 -0.2044 0.8711 0.8727 1.7572 1.7693 2.1406 2.1663 3.3689 3.3713 3.4898 3.4945 3.9587 3.9666 8.6926 8.8333 9.7660 9.9499 10.9621 11.0617 11.1716 11.3481 k = 0.3301-0.0212-0.3514 ( 3170 PWs) bands (ev): -21.3860 -21.3860 -15.8906 -15.8877 -15.8364 -15.8334 -6.3294 -6.2532 -6.1478 -6.1431 -6.1242 -6.0178 -4.0861 -4.0392 -3.9862 -3.9757 -3.9530 -3.9285 -3.2429 -3.2021 -2.6111 -2.6008 -2.3753 -2.3607 -0.2037 -0.1977 0.8618 0.8638 1.7714 1.7836 2.1379 2.1644 3.3540 3.3572 3.4938 3.4986 3.9695 3.9772 8.6806 8.8194 9.7492 9.9296 10.9275 11.0171 11.1515 11.3163 k = 0.3396-0.0218-0.3614 ( 3168 PWs) bands (ev): -21.3848 -21.3847 -15.8924 -15.8896 -15.8373 -15.8344 -6.3374 -6.2648 -6.1481 -6.1434 -6.1230 -6.0208 -4.0870 -4.0401 -3.9872 -3.9757 -3.9533 -3.9292 -3.2283 -3.1888 -2.6074 -2.5960 -2.3654 -2.3534 -0.1945 -0.1882 0.8523 0.8547 1.7847 1.7969 2.1369 2.1641 3.3352 3.3394 3.4981 3.5029 3.9800 3.9875 8.6706 8.8066 9.7353 9.9113 10.8930 10.9736 11.1306 11.2844 k = 0.3490-0.0224-0.3714 ( 3170 PWs) bands (ev): -21.3836 -21.3836 -15.8941 -15.8913 -15.8382 -15.8353 -6.3453 -6.2764 -6.1483 -6.1437 -6.1214 -6.0239 -4.0876 -4.0409 -3.9884 -3.9760 -3.9536 -3.9301 -3.2145 -3.1764 -2.6045 -2.5919 -2.3555 -2.3457 -0.1826 -0.1760 0.8426 0.8454 1.7967 1.8087 2.1378 2.1656 3.3129 3.3180 3.5025 3.5072 3.9903 3.9975 8.6624 8.7949 9.7241 9.8949 10.8589 10.9314 11.1091 11.2525 k = 0.3584-0.0230-0.3815 ( 3164 PWs) bands (ev): -21.3825 -21.3824 -15.8956 -15.8929 -15.8390 -15.8362 -6.3528 -6.2879 -6.1485 -6.1441 -6.1195 -6.0271 -4.0879 -4.0417 -3.9898 -3.9766 -3.9539 -3.9310 -3.2014 -3.1650 -2.6021 -2.5888 -2.3456 -2.3373 -0.1683 -0.1614 0.8326 0.8359 1.8073 1.8189 2.1413 2.1693 3.2876 3.2936 3.5069 3.5114 4.0003 4.0071 8.6558 8.7842 9.7156 9.8804 10.8256 10.8908 11.0873 11.2208 k = 0.3679-0.0236-0.3915 ( 3168 PWs) bands (ev): -21.3814 -21.3814 -15.8971 -15.8944 -15.8397 -15.8371 -6.3601 -6.2992 -6.1487 -6.1445 -6.1174 -6.0303 -4.0878 -4.0425 -3.9913 -3.9776 -3.9542 -3.9319 -3.1890 -3.1545 -2.6004 -2.5865 -2.3357 -2.3284 -0.1519 -0.1448 0.8224 0.8261 1.8161 1.8271 2.1474 2.1755 3.2595 3.2663 3.5112 3.5156 4.0099 4.0164 8.6507 8.7742 9.7097 9.8677 10.7933 10.8520 11.0654 11.1897 k = 0.3773-0.0242-0.4015 ( 3168 PWs) bands (ev): -21.3804 -21.3804 -15.8984 -15.8959 -15.8405 -15.8379 -6.3669 -6.3102 -6.1489 -6.1450 -6.1152 -6.0336 -4.0874 -4.0432 -3.9928 -3.9790 -3.9543 -3.9329 -3.1776 -3.1449 -2.5993 -2.5851 -2.3259 -2.3191 -0.1337 -0.1264 0.8120 0.8161 1.8230 1.8331 2.1566 2.1843 3.2291 3.2367 3.5154 3.5195 4.0191 4.0253 8.6469 8.7648 9.7062 9.8565 10.7623 10.8150 11.0440 11.1593 k = 0.3867-0.0248-0.4116 ( 3162 PWs) bands (ev): -21.3795 -21.3794 -15.8996 -15.8972 -15.8412 -15.8387 -6.3733 -6.3208 -6.1490 -6.1454 -6.1128 -6.0369 -4.0867 -4.0438 -3.9945 -3.9808 -3.9544 -3.9339 -3.1669 -3.1363 -2.5986 -2.5844 -2.3163 -2.3095 -0.1140 -0.1066 0.8014 0.8058 1.8280 1.8370 2.1688 2.1959 3.1967 3.2050 3.5194 3.5234 4.0278 4.0337 8.6444 8.7560 9.7049 9.8469 10.7329 10.7801 11.0233 11.1300 k = 0.3962-0.0254-0.4216 ( 3160 PWs) bands (ev): -21.3786 -21.3785 -15.9006 -15.8984 -15.8418 -15.8395 -6.3792 -6.3310 -6.1492 -6.1458 -6.1103 -6.0403 -4.0856 -4.0445 -3.9962 -3.9829 -3.9543 -3.9349 -3.1570 -3.1287 -2.5982 -2.5844 -2.3068 -2.2999 -0.0932 -0.0858 0.7907 0.7954 1.8310 1.8389 2.1838 2.2101 3.1629 3.1717 3.5233 3.5270 4.0361 4.0416 8.6430 8.7475 9.7057 9.8385 10.7053 10.7474 11.0037 11.1019 k = 0.4056-0.0260-0.4317 ( 3162 PWs) bands (ev): -21.3778 -21.3777 -15.9016 -15.8995 -15.8423 -15.8402 -6.3845 -6.3407 -6.1493 -6.1461 -6.1077 -6.0437 -4.0842 -4.0451 -3.9979 -3.9853 -3.9540 -3.9360 -3.1480 -3.1220 -2.5982 -2.5849 -2.2976 -2.2906 -0.0718 -0.0644 0.7800 0.7848 1.8323 1.8391 2.2014 2.2265 3.1280 3.1373 3.5269 3.5303 4.0439 4.0489 8.6425 8.7393 9.7083 9.8312 10.6795 10.7169 10.9853 11.0752 k = 0.4150-0.0266-0.4417 ( 3162 PWs) bands (ev): -21.3770 -21.3770 -15.9025 -15.9006 -15.8429 -15.8409 -6.3893 -6.3498 -6.1493 -6.1465 -6.1050 -6.0471 -4.0825 -4.0458 -3.9996 -3.9879 -3.9537 -3.9370 -3.1398 -3.1161 -2.5983 -2.5858 -2.2886 -2.2817 -0.0501 -0.0428 0.7693 0.7743 1.8323 1.8379 2.2211 2.2450 3.0925 3.1022 3.5303 3.5334 4.0511 4.0557 8.6428 8.7315 9.7124 9.8248 10.6559 10.6889 10.9685 11.0501 k = 0.4245-0.0272-0.4517 ( 3160 PWs) bands (ev): -21.3764 -21.3763 -15.9032 -15.9015 -15.8433 -15.8415 -6.3935 -6.3584 -6.1494 -6.1468 -6.1023 -6.0506 -4.0805 -4.0466 -4.0013 -3.9907 -3.9532 -3.9380 -3.1323 -3.1112 -2.5985 -2.5870 -2.2800 -2.2734 -0.0286 -0.0216 0.7589 0.7638 1.8312 1.8358 2.2424 2.2649 3.0571 3.0670 3.5335 3.5363 4.0576 4.0618 8.6438 8.7238 9.7177 9.8190 10.6346 10.6633 10.9536 11.0268 k = 0.4339-0.0278-0.4618 ( 3162 PWs) bands (ev): -21.3758 -21.3758 -15.9039 -15.9023 -15.8437 -15.8421 -6.3970 -6.3663 -6.1494 -6.1471 -6.0994 -6.0540 -4.0783 -4.0474 -4.0029 -3.9935 -3.9526 -3.9391 -3.1257 -3.1071 -2.5988 -2.5885 -2.2720 -2.2658 -0.0078 -0.0012 0.7488 0.7536 1.8293 1.8330 2.2648 2.2857 3.0224 3.0323 3.5363 3.5388 4.0636 4.0673 8.6455 8.7164 9.7240 9.8137 10.6156 10.6403 10.9406 11.0053 k = 0.4433-0.0284-0.4718 ( 3158 PWs) bands (ev): -21.3753 -21.3752 -15.9044 -15.9030 -15.8440 -15.8426 -6.3998 -6.3735 -6.1494 -6.1474 -6.0965 -6.0574 -4.0758 -4.0484 -4.0043 -3.9963 -3.9519 -3.9402 -3.1198 -3.1038 -2.5991 -2.5900 -2.2647 -2.2591 0.0118 0.0179 0.7394 0.7439 1.8270 1.8299 2.2876 2.3066 2.9891 2.9988 3.5389 3.5410 4.0689 4.0721 8.6478 8.7092 9.7310 9.8087 10.5992 10.6200 10.9298 10.9858 k = 0.4528-0.0290-0.4819 ( 3156 PWs) bands (ev): -21.3748 -21.3748 -15.9048 -15.9037 -15.8443 -15.8431 -6.4019 -6.3800 -6.1493 -6.1477 -6.0935 -6.0608 -4.0732 -4.0495 -4.0055 -3.9989 -3.9511 -3.9412 -3.1146 -3.1012 -2.5993 -2.5916 -2.2583 -2.2533 0.0298 0.0352 0.7308 0.7349 1.8246 1.8268 2.3101 2.3270 2.9581 2.9672 3.5411 3.5429 4.0734 4.0762 8.6507 8.7022 9.7385 9.8038 10.5853 10.6025 10.9212 10.9684 k = 0.4622-0.0296-0.4919 ( 3156 PWs) bands (ev): -21.3745 -21.3744 -15.9051 -15.9042 -15.8445 -15.8435 -6.4033 -6.3857 -6.1493 -6.1480 -6.0904 -6.0642 -4.0704 -4.0509 -4.0066 -4.0013 -3.9503 -3.9423 -3.1102 -3.0994 -2.5993 -2.5931 -2.2527 -2.2486 0.0455 0.0501 0.7233 0.7269 1.8222 1.8239 2.3313 2.3457 2.9303 2.9386 3.5430 3.5444 4.0773 4.0795 8.6540 8.6955 9.7461 9.7988 10.5741 10.5877 10.9151 10.9531 k = 0.4716-0.0303-0.5019 ( 3158 PWs) bands (ev): -21.3742 -21.3742 -15.9054 -15.9047 -15.8446 -15.8439 -6.4039 -6.3907 -6.1492 -6.1482 -6.0873 -6.0676 -4.0676 -4.0526 -4.0073 -4.0034 -3.9494 -3.9434 -3.1064 -3.0984 -2.5992 -2.5945 -2.2481 -2.2450 0.0585 0.0621 0.7172 0.7201 1.8202 1.8214 2.3503 2.3617 2.9071 2.9139 3.5445 3.5456 4.0803 4.0820 8.6578 8.6891 9.7538 9.7935 10.5657 10.5759 10.9113 10.9400 k = 0.5284 0.4387-0.0604 ( 3158 PWs) bands (ev): -21.3742 -21.3742 -15.9054 -15.9047 -15.8446 -15.8439 -6.4039 -6.3907 -6.1492 -6.1482 -6.0873 -6.0676 -4.0676 -4.0526 -4.0073 -4.0034 -3.9494 -3.9434 -3.1064 -3.0984 -2.5992 -2.5945 -2.2481 -2.2450 0.0585 0.0621 0.7172 0.7201 1.8202 1.8214 2.3502 2.3617 2.9071 2.9139 3.5445 3.5456 4.0803 4.0820 8.6578 8.6891 9.7538 9.7935 10.5657 10.5759 10.9113 10.9400 k = 0.5189 0.4488-0.0604 ( 3156 PWs) bands (ev): -21.3740 -21.3740 -15.9055 -15.9050 -15.8447 -15.8442 -6.4037 -6.3949 -6.1491 -6.1484 -6.0842 -6.0710 -4.0647 -4.0545 -4.0077 -4.0051 -3.9485 -3.9444 -3.1034 -3.0980 -2.5989 -2.5958 -2.2446 -2.2425 0.0684 0.0709 0.7128 0.7148 1.8187 1.8195 2.3658 2.3738 2.8896 2.8945 3.5457 3.5464 4.0826 4.0838 8.6620 8.6829 9.7613 9.7879 10.5601 10.5669 10.9100 10.9292 k = 0.5095 0.4589-0.0604 ( 3152 PWs) bands (ev): -21.3738 -21.3738 -15.9055 -15.9053 -15.8446 -15.8444 -6.4027 -6.3983 -6.1490 -6.1486 -6.0809 -6.0744 -4.0619 -4.0568 -4.0077 -4.0064 -3.9475 -3.9455 -3.1010 -3.0983 -2.5984 -2.5969 -2.2423 -2.2412 0.0748 0.0760 0.7103 0.7113 1.8179 1.8182 2.3766 2.3807 2.8790 2.8817 3.5464 3.5468 4.0841 4.0847 8.6667 8.6771 9.7686 9.7819 10.5574 10.5608 10.9111 10.9208 k = 0.5000 0.4690-0.0604 ( 3154 PWs) bands (ev): -21.3738 -21.3738 -15.9054 -15.9054 -15.8446 -15.8446 -6.4009 -6.4009 -6.1488 -6.1488 -6.0777 -6.0777 -4.0592 -4.0592 -4.0073 -4.0073 -3.9465 -3.9465 -3.0993 -3.0993 -2.5978 -2.5978 -2.2412 -2.2412 0.0773 0.0773 0.7098 0.7098 1.8177 1.8177 2.3817 2.3817 2.8763 2.8763 3.5468 3.5468 4.0848 4.0848 8.6717 8.6717 9.7755 9.7755 10.5576 10.5576 10.9147 10.9147 k = 0.5000 0.4690-0.0604 ( 3154 PWs) bands (ev): -21.3738 -21.3738 -15.9054 -15.9054 -15.8446 -15.8446 -6.4009 -6.4009 -6.1488 -6.1488 -6.0777 -6.0777 -4.0592 -4.0592 -4.0073 -4.0073 -3.9465 -3.9465 -3.0993 -3.0993 -2.5978 -2.5978 -2.2412 -2.2412 0.0773 0.0773 0.7098 0.7098 1.8177 1.8177 2.3817 2.3817 2.8763 2.8763 3.5468 3.5468 4.0848 4.0848 8.6717 8.6717 9.7755 9.7755 10.5576 10.5576 10.9147 10.9147 k = 0.5009 0.4698-0.0466 ( 3155 PWs) bands (ev): -21.3738 -21.3738 -15.9054 -15.9054 -15.8447 -15.8446 -6.4053 -6.3976 -6.1494 -6.1482 -6.0822 -6.0731 -4.0613 -4.0569 -4.0072 -4.0070 -3.9469 -3.9459 -3.0993 -3.0984 -2.5979 -2.5972 -2.2414 -2.2412 0.0776 0.0777 0.7093 0.7093 1.8178 1.8179 2.3822 2.3823 2.8753 2.8763 3.5470 3.5473 4.0843 4.0859 8.6655 8.6768 9.7722 9.7768 10.5562 10.5592 10.8839 10.9322 k = 0.5018 0.4706-0.0328 ( 3160 PWs) bands (ev): -21.3736 -21.3736 -15.9054 -15.9054 -15.8450 -15.8449 -6.4107 -6.3955 -6.1499 -6.1476 -6.0865 -6.0687 -4.0630 -4.0542 -4.0068 -4.0064 -3.9472 -3.9451 -3.0982 -3.0965 -2.5975 -2.5961 -2.2419 -2.2416 0.0784 0.0786 0.7078 0.7078 1.8184 1.8185 2.3837 2.3840 2.8731 2.8753 3.5479 3.5484 4.0843 4.0876 8.6583 8.6809 9.7670 9.7762 10.5538 10.5611 10.8460 10.9299 k = 0.5027 0.4715-0.0190 ( 3164 PWs) bands (ev): -21.3734 -21.3734 -15.9054 -15.9054 -15.8455 -15.8454 -6.4169 -6.3945 -6.1505 -6.1470 -6.0907 -6.0643 -4.0643 -4.0513 -4.0061 -4.0055 -3.9472 -3.9441 -3.0963 -3.0937 -2.5966 -2.5945 -2.2427 -2.2423 0.0798 0.0800 0.7052 0.7053 1.8194 1.8195 2.3862 2.3867 2.8699 2.8731 3.5495 3.5502 4.0849 4.0898 8.6501 8.6838 9.7600 9.7736 10.5490 10.5634 10.8057 10.9072 k = 0.5035 0.4723-0.0052 ( 3162 PWs) bands (ev): -21.3731 -21.3731 -15.9054 -15.9053 -15.8461 -15.8461 -6.4240 -6.3948 -6.1510 -6.1463 -6.0945 -6.0601 -4.0652 -4.0482 -4.0050 -4.0043 -3.9471 -3.9430 -3.0934 -3.0900 -2.5952 -2.5924 -2.2439 -2.2433 0.0818 0.0821 0.7018 0.7018 1.8207 1.8209 2.3897 2.3904 2.8656 2.8699 3.5517 3.5527 4.0860 4.0925 8.6409 8.6856 9.7514 9.7692 10.5388 10.5655 10.7679 10.8701 k = 0.5044 0.4731 0.0086 ( 3162 PWs) bands (ev): -21.3728 -21.3727 -15.9053 -15.9053 -15.8470 -15.8469 -6.4318 -6.3964 -6.1515 -6.1456 -6.0979 -6.0562 -4.0657 -4.0449 -4.0036 -4.0028 -3.9467 -3.9418 -3.0897 -3.0855 -2.5932 -2.5897 -2.2453 -2.2445 0.0844 0.0848 0.6974 0.6974 1.8224 1.8226 2.3942 2.3950 2.8603 2.8656 3.5545 3.5558 4.0877 4.0957 8.6309 8.6862 9.7412 9.7629 10.5194 10.5662 10.7376 10.8258 k = 0.5053 0.4739 0.0224 ( 3164 PWs) bands (ev): -21.3723 -21.3723 -15.9053 -15.9052 -15.8480 -15.8480 -6.4403 -6.3993 -6.1518 -6.1449 -6.1009 -6.0526 -4.0658 -4.0415 -4.0019 -4.0011 -3.9461 -3.9404 -3.0853 -3.0803 -2.5906 -2.5865 -2.2469 -2.2461 0.0876 0.0882 0.6921 0.6921 1.8245 1.8247 2.3995 2.4005 2.8538 2.8601 3.5580 3.5595 4.0899 4.0995 8.6199 8.6855 9.7296 9.7549 10.4877 10.5631 10.7185 10.7806 k = 0.5062 0.4748 0.0362 ( 3162 PWs) bands (ev): -21.3718 -21.3717 -15.9052 -15.9052 -15.8492 -15.8492 -6.4494 -6.4036 -6.1521 -6.1441 -6.1034 -6.0492 -4.0654 -4.0379 -4.0000 -3.9993 -3.9453 -3.9389 -3.0802 -3.0746 -2.5874 -2.5827 -2.2489 -2.2479 0.0916 0.0923 0.6861 0.6861 1.8269 1.8271 2.4057 2.4068 2.8463 2.8536 3.5621 3.5638 4.0927 4.1036 8.6082 8.6837 9.7167 9.7452 10.4443 10.5515 10.7105 10.7413 k = 0.5071 0.4756 0.0500 ( 3164 PWs) bands (ev): -21.3712 -21.3711 -15.9051 -15.9051 -15.8506 -15.8505 -6.4590 -6.4092 -6.1521 -6.1433 -6.1054 -6.0462 -4.0646 -4.0342 -3.9979 -3.9972 -3.9443 -3.9373 -3.0747 -3.0684 -2.5835 -2.5782 -2.2511 -2.2500 0.0964 0.0971 0.6793 0.6793 1.8296 1.8298 2.4126 2.4138 2.8377 2.8460 3.5668 3.5687 4.0958 4.1082 8.5957 8.6805 9.7027 9.7342 10.3925 10.5257 10.7110 10.7149 k = 0.5080 0.4764 0.0638 ( 3162 PWs) bands (ev): -21.3705 -21.3705 -15.9050 -15.9050 -15.8521 -15.8520 -6.4691 -6.4160 -6.1520 -6.1424 -6.1070 -6.0435 -4.0634 -4.0305 -3.9956 -3.9950 -3.9431 -3.9357 -3.0688 -3.0619 -2.5789 -2.5731 -2.2536 -2.2524 0.1019 0.1028 0.6719 0.6720 1.8326 1.8328 2.4201 2.4215 2.8280 2.8374 3.5721 3.5742 4.0994 4.1131 8.5824 8.6760 9.6877 9.7218 10.3356 10.4841 10.7037 10.7170 k = 0.5089 0.4773 0.0776 ( 3175 PWs) bands (ev): -21.3698 -21.3697 -15.9050 -15.9049 -15.8538 -15.8536 -6.4796 -6.4239 -6.1517 -6.1416 -6.1082 -6.0411 -4.0618 -4.0267 -3.9931 -3.9926 -3.9417 -3.9339 -3.0627 -3.0553 -2.5735 -2.5672 -2.2562 -2.2550 0.1083 0.1093 0.6640 0.6641 1.8358 1.8359 2.4282 2.4297 2.8174 2.8277 3.5779 3.5802 4.1034 4.1184 8.5685 8.6702 9.6718 9.7082 10.2759 10.4311 10.7037 10.7265 k = 0.5098 0.4781 0.0914 ( 3171 PWs) bands (ev): -21.3690 -21.3690 -15.9049 -15.9048 -15.8555 -15.8554 -6.4903 -6.4330 -6.1511 -6.1406 -6.1089 -6.0391 -4.0598 -4.0228 -3.9906 -3.9901 -3.9401 -3.9322 -3.0566 -3.0487 -2.5673 -2.5607 -2.2591 -2.2578 0.1155 0.1167 0.6556 0.6557 1.8392 1.8393 2.4367 2.4383 2.8058 2.8171 3.5842 3.5867 4.1077 4.1239 8.5540 8.6631 9.6552 9.6935 10.2149 10.3720 10.7103 10.7382 k = 0.5106 0.4789 0.1052 ( 3170 PWs) bands (ev): -21.3682 -21.3681 -15.9048 -15.9047 -15.8574 -15.8572 -6.5013 -6.4429 -6.1502 -6.1397 -6.1093 -6.0373 -4.0574 -4.0189 -3.9881 -3.9876 -3.9383 -3.9303 -3.0505 -3.0423 -2.5604 -2.5533 -2.2622 -2.2608 0.1238 0.1250 0.6469 0.6470 1.8427 1.8427 2.4457 2.4473 2.7933 2.8055 3.5910 3.5936 4.1123 4.1295 8.5390 8.6546 9.6379 9.6779 10.1538 10.3098 10.7205 10.7513 k = 0.5115 0.4798 0.1190 ( 3166 PWs) bands (ev): -21.3673 -21.3672 -15.9047 -15.9047 -15.8593 -15.8592 -6.5125 -6.4536 -6.1491 -6.1387 -6.1094 -6.0359 -4.0547 -4.0149 -3.9856 -3.9850 -3.9364 -3.9285 -3.0447 -3.0362 -2.5525 -2.5453 -2.2655 -2.2641 0.1329 0.1343 0.6379 0.6380 1.8461 1.8463 2.4549 2.4566 2.7801 2.7932 3.5982 3.6010 4.1171 4.1353 8.5236 8.6447 9.6200 9.6615 10.0933 10.2462 10.7328 10.7653 k = 0.5124 0.4806 0.1328 ( 3166 PWs) bands (ev): -21.3664 -21.3663 -15.9046 -15.9046 -15.8613 -15.8612 -6.5238 -6.4649 -6.1479 -6.1376 -6.1092 -6.0347 -4.0517 -4.0109 -3.9831 -3.9823 -3.9344 -3.9267 -3.0393 -3.0306 -2.5439 -2.5364 -2.2690 -2.2675 0.1431 0.1447 0.6288 0.6289 1.8494 1.8497 2.4642 2.4660 2.7663 2.7801 3.6058 3.6087 4.1220 4.1410 8.5079 8.6335 9.6016 9.6445 10.0340 10.1824 10.7464 10.7795 k = 0.5133 0.4814 0.1466 ( 3167 PWs) bands (ev): -21.3654 -21.3654 -15.9046 -15.9045 -15.8634 -15.8632 -6.5351 -6.4768 -6.1464 -6.1366 -6.1088 -6.0338 -4.0484 -4.0069 -3.9807 -3.9796 -3.9322 -3.9249 -3.0343 -3.0255 -2.5344 -2.5269 -2.2725 -2.2710 0.1543 0.1561 0.6195 0.6196 1.8524 1.8529 2.4737 2.4755 2.7519 2.7666 3.6137 3.6167 4.1269 4.1467 8.4918 8.6209 9.5827 9.6268 9.9765 10.1190 10.7605 10.7938 k = 0.5142 0.4823 0.1604 ( 3167 PWs) bands (ev): -21.3645 -21.3644 -15.9045 -15.9045 -15.8655 -15.8653 -6.5463 -6.4890 -6.1448 -6.1355 -6.1081 -6.0331 -4.0448 -4.0028 -3.9783 -3.9769 -3.9300 -3.9231 -3.0299 -3.0211 -2.5242 -2.5167 -2.2762 -2.2747 0.1666 0.1685 0.6102 0.6103 1.8552 1.8558 2.4832 2.4850 2.7373 2.7526 3.6219 3.6250 4.1317 4.1522 8.4757 8.6071 9.5634 9.6087 9.9211 10.0566 10.7748 10.8077 k = 0.5151 0.4831 0.1742 ( 3168 PWs) bands (ev): -21.3635 -21.3634 -15.9045 -15.9044 -15.8676 -15.8674 -6.5574 -6.5014 -6.1431 -6.1345 -6.1072 -6.0327 -4.0410 -3.9988 -3.9760 -3.9741 -3.9277 -3.9214 -3.0262 -3.0175 -2.5133 -2.5059 -2.2800 -2.2785 0.1799 0.1820 0.6010 0.6012 1.8574 1.8582 2.4927 2.4944 2.7225 2.7385 3.6303 3.6335 4.1365 4.1575 8.4594 8.5920 9.5438 9.5902 9.8681 9.9955 10.7889 10.8209 k = 0.5160 0.4839 0.1880 ( 3170 PWs) bands (ev): -21.3625 -21.3625 -15.9045 -15.9044 -15.8697 -15.8695 -6.5683 -6.5139 -6.1413 -6.1334 -6.1061 -6.0324 -4.0370 -3.9948 -3.9737 -3.9714 -3.9254 -3.9197 -3.0231 -3.0146 -2.5017 -2.4945 -2.2839 -2.2824 0.1942 0.1965 0.5920 0.5921 1.8590 1.8600 2.5020 2.5037 2.7078 2.7244 3.6389 3.6421 4.1411 4.1624 8.4432 8.5757 9.5238 9.5714 9.8178 9.9361 10.8025 10.8332 k = 0.5168 0.4848 0.2018 ( 3168 PWs) bands (ev): -21.3615 -21.3615 -15.9046 -15.9045 -15.8717 -15.8716 -6.5790 -6.5264 -6.1395 -6.1323 -6.1049 -6.0324 -4.0329 -3.9909 -3.9715 -3.9687 -3.9232 -3.9181 -3.0208 -3.0125 -2.4897 -2.4828 -2.2878 -2.2863 0.2095 0.2120 0.5832 0.5833 1.8599 1.8610 2.5111 2.5127 2.6935 2.7104 3.6476 3.6508 4.1454 4.1670 8.4271 8.5585 9.5035 9.5524 9.7704 9.8787 10.8155 10.8442 k = 0.5177 0.4856 0.2156 ( 3166 PWs) bands (ev): -21.3605 -21.3605 -15.9046 -15.9045 -15.8737 -15.8736 -6.5893 -6.5388 -6.1377 -6.1313 -6.1035 -6.0326 -4.0286 -3.9871 -3.9694 -3.9660 -3.9210 -3.9165 -3.0192 -3.0112 -2.4773 -2.4707 -2.2917 -2.2903 0.2258 0.2285 0.5746 0.5748 1.8598 1.8610 2.5199 2.5214 2.6797 2.6969 3.6563 3.6595 4.1495 4.1712 8.4113 8.5404 9.4831 9.5333 9.7260 9.8235 10.8276 10.8537 k = 0.5186 0.4864 0.2294 ( 3167 PWs) bands (ev): -21.3596 -21.3595 -15.9047 -15.9046 -15.8756 -15.8755 -6.5993 -6.5510 -6.1359 -6.1303 -6.1019 -6.0330 -4.0242 -3.9834 -3.9672 -3.9634 -3.9188 -3.9151 -3.0182 -3.0106 -2.4647 -2.4585 -2.2956 -2.2943 0.2429 0.2459 0.5664 0.5666 1.8587 1.8600 2.5285 2.5298 2.6666 2.6840 3.6651 3.6682 4.1532 4.1748 8.3958 8.5215 9.4625 9.5142 9.6846 9.7707 10.8385 10.8615 k = 0.5195 0.4873 0.2432 ( 3169 PWs) bands (ev): -21.3586 -21.3586 -15.9049 -15.9048 -15.8775 -15.8774 -6.6088 -6.5629 -6.1341 -6.1292 -6.1002 -6.0335 -4.0198 -3.9800 -3.9650 -3.9608 -3.9168 -3.9137 -3.0180 -3.0108 -2.4520 -2.4463 -2.2994 -2.2982 0.2608 0.2640 0.5587 0.5588 1.8564 1.8578 2.5366 2.5377 2.6545 2.6719 3.6737 3.6768 4.1565 4.1780 8.3807 8.5021 9.4419 9.4950 9.6463 9.7207 10.8481 10.8674 k = 0.5204 0.4881 0.2570 ( 3168 PWs) bands (ev): -21.3577 -21.3577 -15.9051 -15.9050 -15.8792 -15.8791 -6.6178 -6.5744 -6.1324 -6.1283 -6.0983 -6.0342 -4.0153 -3.9768 -3.9628 -3.9583 -3.9148 -3.9124 -3.0183 -3.0115 -2.4394 -2.4342 -2.3032 -2.3021 0.2794 0.2828 0.5513 0.5515 1.8529 1.8543 2.5444 2.5452 2.6436 2.6607 3.6822 3.6852 4.1595 4.1807 8.3662 8.4824 9.4214 9.4759 9.6110 9.6735 10.8564 10.8715 k = 0.5213 0.4889 0.2708 ( 3166 PWs) bands (ev): -21.3568 -21.3568 -15.9053 -15.9052 -15.8808 -15.8807 -6.6263 -6.5854 -6.1309 -6.1273 -6.0963 -6.0351 -4.0109 -3.9740 -3.9605 -3.9559 -3.9130 -3.9112 -3.0192 -3.0129 -2.4270 -2.4224 -2.3069 -2.3059 0.2985 0.3021 0.5445 0.5447 1.8481 1.8494 2.5517 2.5521 2.6339 2.6506 3.6904 3.6934 4.1621 4.1828 8.3523 8.4625 9.4012 9.4568 9.5786 9.6294 10.8632 10.8739 k = 0.5222 0.4897 0.2846 ( 3169 PWs) bands (ev): -21.3560 -21.3560 -15.9056 -15.9055 -15.8822 -15.8821 -6.6342 -6.5959 -6.1294 -6.1264 -6.0942 -6.0361 -4.0065 -3.9715 -3.9581 -3.9536 -3.9113 -3.9101 -3.0206 -3.0148 -2.4150 -2.4109 -2.3104 -2.3095 0.3180 0.3217 0.5382 0.5384 1.8420 1.8432 2.5585 2.5585 2.6256 2.6416 3.6984 3.7012 4.1644 4.1845 8.3391 8.4427 9.3815 9.4377 9.5490 9.5887 10.8687 10.8748 k = 0.5231 0.4906 0.2984 ( 3169 PWs) bands (ev): -21.3552 -21.3552 -15.9060 -15.9059 -15.8835 -15.8834 -6.6414 -6.6058 -6.1280 -6.1256 -6.0920 -6.0373 -4.0022 -3.9693 -3.9556 -3.9514 -3.9097 -3.9091 -3.0224 -3.0171 -2.4035 -2.4001 -2.3138 -2.3130 0.3377 0.3416 0.5325 0.5327 1.8347 1.8358 2.5643 2.5648 2.6188 2.6338 3.7061 3.7088 4.1664 4.1857 8.3266 8.4231 9.3625 9.4187 9.5221 9.5517 10.8729 10.8746 k = 0.5239 0.4914 0.3122 ( 3177 PWs) bands (ev): -21.3545 -21.3545 -15.9063 -15.9062 -15.8846 -15.8846 -6.6480 -6.6151 -6.1268 -6.1248 -6.0897 -6.0386 -3.9980 -3.9675 -3.9532 -3.9493 -3.9083 -3.9081 -3.0245 -3.0197 -2.3928 -2.3899 -2.3169 -2.3163 0.3573 0.3614 0.5274 0.5276 1.8263 1.8272 2.5693 2.5705 2.6134 2.6272 3.7133 3.7158 4.1682 4.1865 8.3151 8.4040 9.3443 9.3996 9.4977 9.5185 10.8738 10.8759 k = 0.5248 0.4922 0.3260 ( 3177 PWs) bands (ev): -21.3538 -21.3538 -15.9067 -15.9066 -15.8856 -15.8855 -6.6538 -6.6237 -6.1257 -6.1241 -6.0874 -6.0401 -3.9939 -3.9660 -3.9507 -3.9473 -3.9073 -3.9071 -3.0268 -3.0226 -2.3828 -2.3806 -2.3198 -2.3194 0.3767 0.3809 0.5230 0.5232 1.8170 1.8178 2.5736 2.5756 2.6094 2.6216 3.7201 3.7225 4.1698 4.1870 8.3044 8.3856 9.3273 9.3805 9.4757 9.4893 10.8726 10.8779 k = 0.5257 0.4931 0.3398 ( 3183 PWs) bands (ev): -21.3532 -21.3532 -15.9072 -15.9071 -15.8864 -15.8864 -6.6589 -6.6316 -6.1247 -6.1234 -6.0850 -6.0417 -3.9900 -3.9649 -3.9483 -3.9456 -3.9066 -3.9060 -3.0294 -3.0257 -2.3738 -2.3723 -2.3224 -2.3221 0.3957 0.3999 0.5194 0.5195 1.8070 1.8076 2.5772 2.5801 2.6067 2.6171 3.7264 3.7286 4.1713 4.1873 8.2947 8.3680 9.3115 9.3615 9.4561 9.4641 10.8715 10.8792 k = 0.5266 0.4939 0.3536 ( 3187 PWs) bands (ev): -21.3527 -21.3527 -15.9076 -15.9075 -15.8870 -15.8870 -6.6633 -6.6388 -6.1238 -6.1228 -6.0827 -6.0434 -3.9863 -3.9640 -3.9461 -3.9440 -3.9060 -3.9051 -3.0320 -3.0288 -2.3660 -2.3651 -2.3246 -2.3245 0.4138 0.4180 0.5164 0.5165 1.7965 1.7969 2.5800 2.5840 2.6051 2.6135 3.7321 3.7341 4.1727 4.1874 8.2861 8.3513 9.2971 9.3430 9.4387 9.4428 10.8707 10.8800 k = 0.5275 0.4947 0.3674 ( 3191 PWs) bands (ev): -21.3523 -21.3523 -15.9079 -15.9078 -15.8876 -15.8876 -6.6668 -6.6451 -6.1230 -6.1223 -6.0803 -6.0453 -3.9829 -3.9633 -3.9440 -3.9426 -3.9054 -3.9044 -3.0347 -3.0320 -2.3595 -2.3591 -2.3265 -2.3263 0.4308 0.4350 0.5143 0.5145 1.7860 1.7862 2.5820 2.5871 2.6045 2.6107 3.7372 3.7390 4.1743 4.1875 8.2785 8.3358 9.2844 9.3254 9.4236 9.4251 10.8705 10.8805 k = 0.5284 0.4956 0.3812 ( 3187 PWs) bands (ev): -21.3519 -21.3519 -15.9083 -15.9082 -15.8880 -15.8880 -6.6695 -6.6506 -6.1223 -6.1218 -6.0779 -6.0473 -3.9797 -3.9629 -3.9421 -3.9413 -3.9050 -3.9039 -3.0374 -3.0352 -2.3545 -2.3545 -2.3279 -2.3273 0.4464 0.4505 0.5132 0.5133 1.7756 1.7757 2.5836 2.5894 2.6044 2.6086 3.7416 3.7432 4.1760 4.1876 8.2722 8.3214 9.2734 9.3090 9.4106 9.4107 10.8709 10.8809 k = 0.5284 0.4956 0.3812 ( 3187 PWs) bands (ev): -21.3519 -21.3519 -15.9083 -15.9082 -15.8880 -15.8880 -6.6695 -6.6506 -6.1223 -6.1218 -6.0779 -6.0473 -3.9797 -3.9629 -3.9421 -3.9413 -3.9050 -3.9039 -3.0374 -3.0352 -2.3545 -2.3545 -2.3279 -2.3273 0.4464 0.4505 0.5132 0.5133 1.7756 1.7757 2.5836 2.5894 2.6044 2.6086 3.7416 3.7432 4.1760 4.1876 8.2722 8.3214 9.2734 9.3090 9.4106 9.4107 10.8709 10.8809 k = 0.5236 0.4911 0.3912 ( 3189 PWs) bands (ev): -21.3516 -21.3516 -15.9086 -15.9085 -15.8883 -15.8883 -6.6717 -6.6559 -6.1217 -6.1214 -6.0754 -6.0496 -3.9765 -3.9627 -3.9405 -3.9401 -3.9046 -3.9035 -3.0401 -3.0383 -2.3515 -2.3513 -2.3277 -2.3274 0.4610 0.4647 0.5134 0.5134 1.7652 1.7652 2.5847 2.5908 2.6046 2.6070 3.7458 3.7471 4.1778 4.1877 8.2665 8.3075 9.2638 9.2929 9.3981 9.3982 10.8720 10.8809 k = 0.5189 0.4867 0.4013 ( 3187 PWs) bands (ev): -21.3513 -21.3513 -15.9088 -15.9088 -15.8886 -15.8886 -6.6732 -6.6605 -6.1212 -6.1210 -6.0728 -6.0520 -3.9736 -3.9628 -3.9392 -3.9389 -3.9042 -3.9032 -3.0424 -3.0410 -2.3491 -2.3489 -2.3274 -2.3272 0.4725 0.4757 0.5143 0.5145 1.7560 1.7561 2.5859 2.5916 2.6050 2.6062 3.7493 3.7503 4.1794 4.1874 8.2626 8.2953 9.2562 9.2792 9.3879 9.3879 10.8732 10.8807 k = 0.5142 0.4823 0.4113 ( 3188 PWs) bands (ev): -21.3511 -21.3511 -15.9090 -15.9090 -15.8888 -15.8888 -6.6740 -6.6645 -6.1208 -6.1208 -6.0702 -6.0544 -3.9711 -3.9631 -3.9381 -3.9380 -3.9039 -3.9031 -3.0442 -3.0432 -2.3475 -2.3472 -2.3269 -2.3268 0.4809 0.4833 0.5162 0.5163 1.7484 1.7485 2.5870 2.5918 2.6055 2.6060 3.7520 3.7528 4.1809 4.1870 8.2603 8.2849 9.2508 9.2679 9.3799 9.3799 10.8745 10.8803 k = 0.5095 0.4778 0.4214 ( 3188 PWs) bands (ev): -21.3510 -21.3510 -15.9092 -15.9091 -15.8889 -15.8889 -6.6741 -6.6678 -6.1206 -6.1205 -6.0675 -6.0569 -3.9690 -3.9637 -3.9373 -3.9373 -3.9036 -3.9030 -3.0455 -3.0448 -2.3464 -2.3462 -2.3265 -2.3265 0.4861 0.4878 0.5186 0.5186 1.7428 1.7429 2.5882 2.5916 2.6059 2.6060 3.7541 3.7546 4.1822 4.1863 8.2599 8.2762 9.2477 9.2590 9.3741 9.3741 10.8758 10.8797 k = 0.5047 0.4734 0.4315 ( 3190 PWs) bands (ev): -21.3509 -21.3509 -15.9093 -15.9092 -15.8890 -15.8890 -6.6736 -6.6704 -6.1204 -6.1204 -6.0648 -6.0595 -3.9672 -3.9646 -3.9368 -3.9368 -3.9034 -3.9031 -3.0462 -3.0458 -2.3458 -2.3456 -2.3262 -2.3262 0.4890 0.4898 0.5205 0.5205 1.7393 1.7394 2.5893 2.5911 2.6062 2.6062 3.7553 3.7556 4.1834 4.1854 8.2612 8.2694 9.2469 9.2526 9.3707 9.3707 10.8769 10.8790 k = 0.5000 0.4690 0.4415 ( 3198 PWs) bands (ev): -21.3508 -21.3508 -15.9093 -15.9093 -15.8890 -15.8890 -6.6723 -6.6723 -6.1204 -6.1204 -6.0621 -6.0621 -3.9657 -3.9657 -3.9367 -3.9367 -3.9032 -3.9032 -3.0463 -3.0463 -2.3455 -2.3455 -2.3261 -2.3261 0.4902 0.4902 0.5212 0.5212 1.7382 1.7382 2.5903 2.5903 2.6062 2.6062 3.7558 3.7558 4.1845 4.1845 8.2644 8.2644 9.2485 9.2485 9.3695 9.3695 10.8780 10.8780 k = 0.5000-0.0321-0.0302 ( 3126 PWs) bands (ev): -21.3975 -21.3975 -15.8882 -15.8882 -15.8099 -15.8099 -6.2006 -6.2006 -6.1502 -6.1502 -6.0462 -6.0462 -4.0320 -4.0320 -3.9852 -3.9852 -3.9378 -3.9378 -3.3868 -3.3868 -2.7864 -2.7864 -2.3509 -2.3509 -0.0898 -0.0898 0.8946 0.8946 1.4773 1.4773 2.3442 2.3442 3.3944 3.3944 3.4822 3.4822 3.9757 3.9757 8.2184 8.2184 10.5759 10.5759 11.0164 11.0164 11.5811 11.5811 k = 0.5012-0.0219-0.0206 ( 3130 PWs) bands (ev): -21.3975 -21.3975 -15.8882 -15.8882 -15.8100 -15.8100 -6.2022 -6.1997 -6.1504 -6.1500 -6.0482 -6.0448 -4.0325 -4.0313 -3.9853 -3.9852 -3.9379 -3.9376 -3.3868 -3.3855 -2.7862 -2.7856 -2.3512 -2.3509 -0.0894 -0.0888 0.8940 0.8942 1.4774 1.4774 2.3445 2.3445 3.3936 3.3942 3.4823 3.4825 3.9759 3.9760 8.2142 8.2231 10.5709 10.5752 11.0111 11.0206 11.5763 11.5802 k = 0.5025-0.0117-0.0110 ( 3130 PWs) bands (ev): -21.3973 -21.3973 -15.8882 -15.8882 -15.8103 -15.8103 -6.2045 -6.1995 -6.1505 -6.1496 -6.0509 -6.0441 -4.0328 -4.0306 -3.9853 -3.9851 -3.9381 -3.9376 -3.3856 -3.3829 -2.7848 -2.7838 -2.3518 -2.3512 -0.0876 -0.0863 0.8923 0.8928 1.4777 1.4779 2.3454 2.3454 3.3916 3.3928 3.4828 3.4833 3.9768 3.9769 8.2103 8.2280 10.5601 10.5689 11.0049 11.0234 11.5658 11.5736 k = 0.5037-0.0015-0.0014 ( 3132 PWs) bands (ev): -21.3971 -21.3971 -15.8883 -15.8882 -15.8108 -15.8108 -6.2074 -6.2002 -6.1506 -6.1491 -6.0540 -6.0440 -4.0329 -4.0297 -3.9853 -3.9851 -3.9383 -3.9375 -3.3831 -3.3791 -2.7825 -2.7809 -2.3528 -2.3519 -0.0843 -0.0823 0.8895 0.8904 1.4783 1.4785 2.3470 2.3470 3.3884 3.3903 3.4838 3.4845 3.9782 3.9784 8.2070 8.2333 10.5435 10.5574 10.9978 11.0244 11.5499 11.5618 k = 0.5049 0.0087 0.0082 ( 3130 PWs) bands (ev): -21.3967 -21.3967 -15.8883 -15.8883 -15.8114 -15.8114 -6.2108 -6.2019 -6.1506 -6.1484 -6.0575 -6.0446 -4.0329 -4.0286 -3.9853 -3.9851 -3.9385 -3.9375 -3.3794 -3.3741 -2.7791 -2.7770 -2.3541 -2.3528 -0.0796 -0.0770 0.8858 0.8869 1.4792 1.4795 2.3492 2.3493 3.3841 3.3867 3.4853 3.4861 3.9803 3.9805 8.2041 8.2388 10.5216 10.5409 10.9898 11.0232 11.5289 11.5450 k = 0.5062 0.0189 0.0178 ( 3135 PWs) bands (ev): -21.3963 -21.3963 -15.8884 -15.8884 -15.8122 -15.8122 -6.2149 -6.2045 -6.1506 -6.1476 -6.0612 -6.0459 -4.0328 -4.0275 -3.9853 -3.9851 -3.9388 -3.9375 -3.3745 -3.3679 -2.7747 -2.7721 -2.3556 -2.3540 -0.0735 -0.0703 0.8811 0.8824 1.4804 1.4807 2.3520 2.3521 3.3786 3.3818 3.4871 3.4882 3.9829 3.9832 8.2018 8.2446 10.4945 10.5198 10.9807 11.0193 11.5033 11.5240 k = 0.5074 0.0291 0.0274 ( 3135 PWs) bands (ev): -21.3958 -21.3958 -15.8886 -15.8885 -15.8132 -15.8132 -6.2195 -6.2084 -6.1506 -6.1466 -6.0650 -6.0477 -4.0325 -4.0263 -3.9852 -3.9851 -3.9391 -3.9375 -3.3684 -3.3606 -2.7694 -2.7663 -2.3574 -2.3555 -0.0661 -0.0623 0.8754 0.8770 1.4819 1.4823 2.3554 2.3555 3.3718 3.3756 3.4894 3.4907 3.9862 3.9866 8.2000 8.2507 10.4629 10.4946 10.9702 11.0122 11.4737 11.4995 k = 0.5086 0.0393 0.0370 ( 3139 PWs) bands (ev): -21.3952 -21.3952 -15.8887 -15.8887 -15.8144 -15.8143 -6.2247 -6.2134 -6.1505 -6.1455 -6.0688 -6.0501 -4.0320 -4.0251 -3.9852 -3.9850 -3.9393 -3.9375 -3.3612 -3.3522 -2.7630 -2.7594 -2.3595 -2.3572 -0.0575 -0.0531 0.8689 0.8707 1.4837 1.4842 2.3594 2.3595 3.3637 3.3681 3.4922 3.4936 3.9901 3.9907 8.1990 8.2570 10.4271 10.4655 10.9579 11.0015 11.4408 11.4722 k = 0.5099 0.0495 0.0466 ( 3136 PWs) bands (ev): -21.3945 -21.3945 -15.8889 -15.8888 -15.8157 -15.8156 -6.2305 -6.2197 -6.1505 -6.1444 -6.0723 -6.0528 -4.0315 -4.0238 -3.9853 -3.9848 -3.9396 -3.9375 -3.3529 -3.3428 -2.7558 -2.7517 -2.3617 -2.3590 -0.0477 -0.0427 0.8614 0.8635 1.4859 1.4865 2.3639 2.3640 3.3542 3.3593 3.4953 3.4970 3.9947 3.9955 8.1987 8.2635 10.3878 10.4330 10.9432 10.9866 11.4056 11.4430 k = 0.5111 0.0597 0.0562 ( 3134 PWs) bands (ev): -21.3938 -21.3937 -15.8891 -15.8890 -15.8171 -15.8171 -6.2371 -6.2272 -6.1505 -6.1432 -6.0754 -6.0559 -4.0308 -4.0224 -3.9854 -3.9845 -3.9399 -3.9375 -3.3436 -3.3324 -2.7476 -2.7431 -2.3642 -2.3610 -0.0368 -0.0313 0.8531 0.8555 1.4885 1.4892 2.3689 2.3690 3.3434 3.3490 3.4989 3.5007 3.9999 4.0009 8.1992 8.2703 10.3454 10.3974 10.9258 10.9671 11.3688 11.4130 k = 0.5123 0.0699 0.0658 ( 3132 PWs) bands (ev): -21.3929 -21.3929 -15.8893 -15.8892 -15.8188 -15.8187 -6.2443 -6.2361 -6.1505 -6.1420 -6.0781 -6.0592 -4.0300 -4.0211 -3.9856 -3.9840 -3.9402 -3.9374 -3.3334 -3.3212 -2.7386 -2.7336 -2.3667 -2.3631 -0.0249 -0.0189 0.8441 0.8467 1.4916 1.4924 2.3743 2.3745 3.3310 3.3373 3.5029 3.5049 4.0058 4.0071 8.2005 8.2772 10.3006 10.3591 10.9050 10.9427 11.3315 11.3828 k = 0.5136 0.0801 0.0754 ( 3132 PWs) bands (ev): -21.3920 -21.3920 -15.8895 -15.8894 -15.8205 -15.8205 -6.2523 -6.2462 -6.1505 -6.1408 -6.0803 -6.0626 -4.0291 -4.0199 -3.9857 -3.9835 -3.9404 -3.9373 -3.3224 -3.3092 -2.7288 -2.7234 -2.3694 -2.3653 -0.0122 -0.0057 0.8343 0.8371 1.4951 1.4960 2.3802 2.3804 3.3172 3.3240 3.5073 3.5094 4.0123 4.0139 8.2026 8.2843 10.2538 10.3185 10.8803 10.9132 11.2946 11.3533 k = 0.5148 0.0903 0.0850 ( 3131 PWs) bands (ev): -21.3910 -21.3910 -15.8898 -15.8897 -15.8224 -15.8224 -6.2609 -6.2575 -6.1504 -6.1396 -6.0819 -6.0660 -4.0281 -4.0187 -3.9858 -3.9828 -3.9407 -3.9372 -3.3106 -3.2965 -2.7183 -2.7124 -2.3721 -2.3675 0.0013 0.0083 0.8239 0.8269 1.4992 1.5002 2.3865 2.3867 3.3018 3.3092 3.5121 3.5143 4.0194 4.0214 8.2057 8.2915 10.2056 10.2758 10.8513 10.8786 11.2589 11.3249 k = 0.5160 0.1005 0.0946 ( 3133 PWs) bands (ev): -21.3899 -21.3899 -15.8900 -15.8899 -15.8244 -15.8244 -6.2704 -6.2699 -6.1504 -6.1386 -6.0829 -6.0694 -4.0270 -4.0176 -3.9858 -3.9820 -3.9409 -3.9370 -3.2981 -3.2833 -2.7070 -2.7007 -2.3747 -2.3696 0.0155 0.0229 0.8129 0.8161 1.5039 1.5050 2.3932 2.3934 3.2850 3.2929 3.5172 3.5196 4.0271 4.0295 8.2097 8.2988 10.1565 10.2315 10.8177 10.8391 11.2253 11.2980 k = 0.5173 0.1107 0.1042 ( 3137 PWs) bands (ev): -21.3888 -21.3888 -15.8903 -15.8902 -15.8266 -15.8265 -6.2832 -6.2806 -6.1503 -6.1375 -6.0834 -6.0726 -4.0259 -4.0166 -3.9858 -3.9810 -3.9411 -3.9368 -3.2850 -3.2696 -2.6951 -2.6885 -2.3774 -2.3717 0.0302 0.0380 0.8013 0.8048 1.5093 1.5105 2.4001 2.4004 3.2666 3.2750 3.5227 3.5253 4.0352 4.0381 8.2147 8.3061 10.1069 10.1858 10.7794 10.7951 11.1940 11.2726 k = 0.5185 0.1209 0.1138 ( 3137 PWs) bands (ev): -21.3876 -21.3876 -15.8907 -15.8905 -15.8288 -15.8288 -6.2973 -6.2915 -6.1502 -6.1366 -6.0834 -6.0757 -4.0246 -4.0158 -3.9856 -3.9798 -3.9412 -3.9365 -3.2715 -3.2555 -2.6825 -2.6756 -2.3800 -2.3738 0.0454 0.0535 0.7893 0.7929 1.5153 1.5166 2.4074 2.4076 3.2466 3.2556 3.5286 3.5312 4.0438 4.0473 8.2206 8.3134 10.0572 10.1390 10.7366 10.7473 11.1654 11.2486 k = 0.5197 0.1310 0.1234 ( 3141 PWs) bands (ev): -21.3863 -21.3863 -15.8910 -15.8909 -15.8312 -15.8311 -6.3122 -6.3031 -6.1501 -6.1358 -6.0829 -6.0786 -4.0233 -4.0151 -3.9852 -3.9786 -3.9413 -3.9361 -3.2576 -3.2412 -2.6695 -2.6622 -2.3824 -2.3757 0.0610 0.0694 0.7769 0.7807 1.5221 1.5235 2.4149 2.4152 3.2252 3.2347 3.5347 3.5375 4.0528 4.0569 8.2274 8.3206 10.0079 10.0916 10.6898 10.6963 11.1394 11.2259 k = 0.5210 0.1412 0.1330 ( 3143 PWs) bands (ev): -21.3850 -21.3850 -15.8914 -15.8912 -15.8336 -15.8335 -6.3276 -6.3154 -6.1499 -6.1350 -6.0821 -6.0812 -4.0219 -4.0147 -3.9847 -3.9771 -3.9414 -3.9356 -3.2434 -3.2267 -2.6560 -2.6484 -2.3846 -2.3774 0.0767 0.0854 0.7642 0.7682 1.5296 1.5311 2.4226 2.4229 3.2024 3.2124 3.5412 3.5441 4.0620 4.0668 8.2351 8.3276 9.9594 10.0437 10.6397 10.6427 11.1157 11.2043 k = 0.5222 0.1514 0.1426 ( 3139 PWs) bands (ev): -21.3837 -21.3837 -15.8918 -15.8916 -15.8361 -15.8360 -6.3436 -6.3282 -6.1497 -6.1343 -6.0836 -6.0808 -4.0204 -4.0144 -3.9839 -3.9756 -3.9414 -3.9351 -3.2291 -3.2122 -2.6420 -2.6342 -2.3867 -2.3790 0.0926 0.1016 0.7512 0.7553 1.5379 1.5396 2.4304 2.4308 3.1783 3.1887 3.5480 3.5510 4.0715 4.0769 8.2437 8.3343 9.9120 9.9958 10.5867 10.5870 11.0941 11.1835 k = 0.5234 0.1616 0.1522 ( 3141 PWs) bands (ev): -21.3823 -21.3823 -15.8922 -15.8920 -15.8387 -15.8386 -6.3598 -6.3416 -6.1494 -6.1337 -6.0857 -6.0793 -4.0187 -4.0142 -3.9830 -3.9739 -3.9413 -3.9345 -3.2147 -3.1977 -2.6277 -2.6197 -2.3885 -2.3803 0.1086 0.1177 0.7380 0.7423 1.5471 1.5488 2.4384 2.4388 3.1528 3.1638 3.5550 3.5581 4.0810 4.0872 8.2530 8.3406 9.8660 9.9480 10.5300 10.5317 11.0743 11.1634 k = 0.5247 0.1718 0.1618 ( 3144 PWs) bands (ev): -21.3809 -21.3809 -15.8926 -15.8924 -15.8413 -15.8412 -6.3763 -6.3554 -6.1490 -6.1331 -6.0875 -6.0776 -4.0170 -4.0142 -3.9819 -3.9721 -3.9411 -3.9338 -3.2004 -3.1835 -2.6132 -2.6049 -2.3900 -2.3814 0.1244 0.1338 0.7247 0.7292 1.5572 1.5589 2.4464 2.4469 3.1262 3.1377 3.5623 3.5654 4.0905 4.0976 8.2629 8.3464 9.8218 9.9008 10.4720 10.4751 11.0560 11.1439 k = 0.5259 0.1820 0.1714 ( 3147 PWs) bands (ev): -21.3795 -21.3794 -15.8931 -15.8929 -15.8440 -15.8439 -6.3930 -6.3696 -6.1485 -6.1325 -6.0891 -6.0757 -4.0151 -4.0143 -3.9805 -3.9702 -3.9408 -3.9331 -3.1863 -3.1696 -2.5984 -2.5900 -2.3912 -2.3822 0.1402 0.1496 0.7114 0.7159 1.5680 1.5698 2.4545 2.4551 3.0985 3.1104 3.5697 3.5730 4.1000 4.1078 8.2734 8.3516 9.7797 9.8543 10.4135 10.4176 11.0391 11.1249 k = 0.5271 0.1922 0.1810 ( 3144 PWs) bands (ev): -21.3780 -21.3780 -15.8935 -15.8934 -15.8466 -15.8465 -6.4097 -6.3840 -6.1480 -6.1320 -6.0904 -6.0736 -4.0144 -4.0132 -3.9791 -3.9683 -3.9404 -3.9323 -3.1723 -3.1560 -2.5836 -2.5750 -2.3921 -2.3827 0.1557 0.1653 0.6981 0.7027 1.5798 1.5816 2.4627 2.4632 3.0699 3.0823 3.5774 3.5807 4.1092 4.1179 8.2844 8.3561 9.7398 9.8088 10.3548 10.3595 11.0233 11.1064 k = 0.5284 0.2024 0.1906 ( 3144 PWs) bands (ev): -21.3765 -21.3765 -15.8940 -15.8938 -15.8493 -15.8492 -6.4263 -6.3987 -6.1474 -6.1315 -6.0915 -6.0714 -4.0145 -4.0110 -3.9775 -3.9664 -3.9399 -3.9314 -3.1588 -3.1429 -2.5686 -2.5600 -2.3925 -2.3829 0.1710 0.1806 0.6849 0.6896 1.5923 1.5941 2.4707 2.4714 3.0406 3.0534 3.5853 3.5887 4.1181 4.1277 8.2956 8.3598 9.7022 9.7646 10.2964 10.3012 11.0087 11.0883 k = 0.5296 0.2126 0.2002 ( 3142 PWs) bands (ev): -21.3750 -21.3750 -15.8945 -15.8944 -15.8520 -15.8519 -6.4429 -6.4135 -6.1466 -6.1310 -6.0924 -6.0691 -4.0146 -4.0088 -3.9758 -3.9645 -3.9392 -3.9304 -3.1456 -3.1304 -2.5536 -2.5449 -2.3927 -2.3828 0.1860 0.1957 0.6718 0.6766 1.6056 1.6074 2.4788 2.4794 3.0105 3.0238 3.5933 3.5967 4.1266 4.1371 8.3069 8.3626 9.6673 9.7219 10.2384 10.2432 10.9951 11.0707 k = 0.5308 0.2228 0.2098 ( 3147 PWs) bands (ev): -21.3735 -21.3735 -15.8951 -15.8949 -15.8547 -15.8546 -6.4592 -6.4283 -6.1458 -6.1306 -6.0931 -6.0668 -4.0146 -4.0064 -3.9740 -3.9627 -3.9384 -3.9294 -3.1330 -3.1185 -2.5388 -2.5301 -2.3924 -2.3824 0.2007 0.2103 0.6589 0.6637 1.6195 1.6213 2.4867 2.4874 2.9801 2.9937 3.6014 3.6048 4.1347 4.1460 8.3181 8.3644 9.6349 9.6808 10.1811 10.1856 10.9826 11.0536 k = 0.5321 0.2330 0.2194 ( 3149 PWs) bands (ev): -21.3721 -21.3720 -15.8956 -15.8954 -15.8573 -15.8573 -6.4753 -6.4432 -6.1449 -6.1301 -6.0936 -6.0644 -4.0145 -4.0039 -3.9722 -3.9610 -3.9373 -3.9283 -3.1209 -3.1073 -2.5240 -2.5153 -2.3917 -2.3818 0.2150 0.2246 0.6463 0.6512 1.6341 1.6358 2.4945 2.4952 2.9494 2.9634 3.6096 3.6130 4.1421 4.1544 8.3290 8.3653 9.6051 9.6416 10.1248 10.1287 10.9711 11.0371 k = 0.5333 0.2432 0.2290 ( 3153 PWs) bands (ev): -21.3706 -21.3705 -15.8962 -15.8960 -15.8600 -15.8599 -6.4910 -6.4579 -6.1439 -6.1296 -6.0940 -6.0621 -4.0142 -4.0013 -3.9704 -3.9594 -3.9360 -3.9271 -3.1094 -3.0968 -2.5095 -2.5009 -2.3907 -2.3807 0.2289 0.2384 0.6340 0.6389 1.6491 1.6507 2.5022 2.5029 2.9186 2.9331 3.6178 3.6213 4.1490 4.1620 8.3394 8.3651 9.5779 9.6045 10.0696 10.0728 10.9606 11.0213 k = 0.5345 0.2534 0.2386 ( 3155 PWs) bands (ev): -21.3691 -21.3691 -15.8968 -15.8966 -15.8625 -15.8624 -6.5064 -6.4725 -6.1428 -6.1292 -6.0942 -6.0599 -4.0138 -3.9986 -3.9685 -3.9580 -3.9345 -3.9259 -3.0987 -3.0872 -2.4952 -2.4868 -2.3892 -2.3794 0.2425 0.2519 0.6221 0.6270 1.6645 1.6659 2.5097 2.5105 2.8880 2.9028 3.6261 3.6296 4.1552 4.1690 8.3492 8.3639 9.5532 9.5695 10.0157 10.0181 10.9512 11.0060 k = 0.5358 0.2636 0.2482 ( 3155 PWs) bands (ev): -21.3677 -21.3676 -15.8975 -15.8972 -15.8650 -15.8649 -6.5213 -6.4868 -6.1416 -6.1287 -6.0942 -6.0577 -4.0132 -3.9958 -3.9667 -3.9568 -3.9327 -3.9246 -3.0887 -3.0783 -2.4813 -2.4730 -2.3874 -2.3778 0.2556 0.2649 0.6107 0.6155 1.6800 1.6813 2.5170 2.5177 2.8578 2.8730 3.6344 3.6378 4.1606 4.1752 8.3582 8.3618 9.5308 9.5368 9.9632 9.9648 10.9428 10.9915 k = 0.5370 0.2738 0.2578 ( 3157 PWs) bands (ev): -21.3663 -21.3662 -15.8981 -15.8979 -15.8674 -15.8673 -6.5357 -6.5009 -6.1403 -6.1283 -6.0941 -6.0556 -4.0124 -3.9930 -3.9648 -3.9557 -3.9308 -3.9232 -3.0794 -3.0703 -2.4678 -2.4598 -2.3853 -2.3759 0.2685 0.2776 0.5997 0.6045 1.6954 1.6966 2.5240 2.5248 2.8282 2.8438 3.6426 3.6460 4.1653 4.1805 8.3588 8.3661 9.5064 9.5106 9.9124 9.9130 10.9353 10.9778 k = 0.5382 0.2840 0.2674 ( 3159 PWs) bands (ev): -21.3649 -21.3649 -15.8988 -15.8986 -15.8697 -15.8696 -6.5496 -6.5146 -6.1390 -6.1278 -6.0939 -6.0536 -4.0114 -3.9901 -3.9630 -3.9547 -3.9287 -3.9219 -3.0710 -3.0631 -2.4548 -2.4471 -2.3828 -2.3738 0.2810 0.2900 0.5893 0.5939 1.7106 1.7116 2.5308 2.5316 2.7995 2.8154 3.6508 3.6541 4.1692 4.1851 8.3551 8.3728 9.4785 9.4924 9.8628 9.8634 10.9288 10.9649 k = 0.5395 0.2942 0.2770 ( 3164 PWs) bands (ev): -21.3636 -21.3635 -15.8995 -15.8992 -15.8719 -15.8718 -6.5629 -6.5279 -6.1376 -6.1273 -6.0936 -6.0518 -4.0101 -3.9872 -3.9612 -3.9539 -3.9266 -3.9205 -3.0634 -3.0567 -2.4423 -2.4350 -2.3800 -2.3714 0.2932 0.3020 0.5794 0.5839 1.7253 1.7261 2.5373 2.5381 2.7720 2.7882 3.6588 3.6621 4.1724 4.1888 8.3506 8.3782 9.4529 9.4759 9.8146 9.8162 10.9231 10.9527 k = 0.5407 0.3044 0.2866 ( 3165 PWs) bands (ev): -21.3623 -21.3622 -15.9002 -15.8999 -15.8740 -15.8739 -6.5755 -6.5408 -6.1363 -6.1269 -6.0931 -6.0501 -4.0087 -3.9844 -3.9595 -3.9531 -3.9243 -3.9190 -3.0566 -3.0512 -2.4304 -2.4236 -2.3770 -2.3687 0.3052 0.3137 0.5700 0.5745 1.7393 1.7398 2.5435 2.5442 2.7460 2.7623 3.6667 3.6699 4.1748 4.1916 8.3456 8.3822 9.4296 9.4609 9.7683 9.7710 10.9182 10.9414 k = 0.5419 0.3145 0.2962 ( 3162 PWs) bands (ev): -21.3610 -21.3610 -15.9009 -15.9007 -15.8759 -15.8758 -6.5875 -6.5532 -6.1349 -6.1264 -6.0925 -6.0486 -4.0071 -3.9816 -3.9578 -3.9524 -3.9220 -3.9176 -3.0506 -3.0465 -2.4193 -2.4129 -2.3737 -2.3658 0.3169 0.3252 0.5614 0.5656 1.7522 1.7525 2.5494 2.5501 2.7217 2.7381 3.6745 3.6776 4.1766 4.1937 8.3401 8.3847 9.4086 9.4472 9.7242 9.7280 10.9139 10.9310 k = 0.5432 0.3247 0.3058 ( 3161 PWs) bands (ev): -21.3599 -21.3598 -15.9016 -15.9014 -15.8777 -15.8776 -6.5988 -6.5650 -6.1334 -6.1260 -6.0918 -6.0472 -4.0053 -3.9788 -3.9561 -3.9517 -3.9198 -3.9161 -3.0454 -3.0425 -2.4088 -2.4031 -2.3701 -2.3626 0.3285 0.3364 0.5533 0.5574 1.7638 1.7639 2.5550 2.5555 2.6993 2.7157 3.6820 3.6850 4.1777 4.1950 8.3343 8.3857 9.3898 9.4345 9.6823 9.6871 10.9100 10.9213 k = 0.5444 0.3349 0.3154 ( 3165 PWs) bands (ev): -21.3588 -21.3587 -15.9024 -15.9022 -15.8794 -15.8793 -6.6093 -6.5763 -6.1321 -6.1255 -6.0910 -6.0461 -4.0033 -3.9762 -3.9545 -3.9510 -3.9176 -3.9147 -3.0411 -3.0392 -2.3993 -2.3943 -2.3663 -2.3592 0.3398 0.3475 0.5460 0.5499 1.7738 1.7739 2.5602 2.5606 2.6791 2.6954 3.6893 3.6922 4.1782 4.1956 8.3282 8.3852 9.3730 9.4227 9.6428 9.6486 10.9065 10.9125 k = 0.5456 0.3451 0.3250 ( 3164 PWs) bands (ev): -21.3577 -21.3577 -15.9031 -15.9029 -15.8809 -15.8808 -6.6191 -6.5870 -6.1307 -6.1251 -6.0900 -6.0451 -4.0012 -3.9738 -3.9530 -3.9503 -3.9155 -3.9133 -3.0375 -3.0367 -2.3907 -2.3865 -2.3623 -2.3555 0.3510 0.3584 0.5393 0.5430 1.7821 1.7823 2.5650 2.5652 2.6613 2.6773 3.6963 3.6991 4.1782 4.1956 8.3221 8.3833 9.3581 9.4114 9.6059 9.6124 10.9032 10.9044 k = 0.5469 0.3553 0.3346 ( 3158 PWs) bands (ev): -21.3567 -21.3567 -15.9038 -15.9037 -15.8822 -15.8822 -6.6280 -6.5970 -6.1294 -6.1246 -6.0890 -6.0444 -3.9990 -3.9716 -3.9515 -3.9495 -3.9134 -3.9120 -3.0348 -3.0347 -2.3832 -2.3797 -2.3580 -2.3515 0.3621 0.3691 0.5334 0.5368 1.7884 1.7888 2.5694 2.5695 2.6460 2.6616 3.7030 3.7057 4.1779 4.1952 8.3158 8.3800 9.3447 9.4005 9.5717 9.5788 10.8972 10.9000 k = 0.5481 0.3655 0.3442 ( 3158 PWs) bands (ev): -21.3558 -21.3558 -15.9046 -15.9044 -15.8834 -15.8834 -6.6362 -6.6063 -6.1282 -6.1242 -6.0878 -6.0439 -3.9966 -3.9696 -3.9500 -3.9487 -3.9116 -3.9107 -3.0335 -3.0326 -2.3767 -2.3740 -2.3535 -2.3474 0.3731 0.3798 0.5282 0.5313 1.7929 1.7933 2.5731 2.5735 2.6333 2.6482 3.7093 3.7119 4.1773 4.1943 8.3096 8.3755 9.3328 9.3897 9.5404 9.5478 10.8907 10.8968 k = 0.5493 0.3757 0.3538 ( 3164 PWs) bands (ev): -21.3550 -21.3550 -15.9053 -15.9051 -15.8845 -15.8844 -6.6436 -6.6150 -6.1271 -6.1238 -6.0866 -6.0437 -3.9942 -3.9679 -3.9487 -3.9478 -3.9099 -3.9095 -3.0327 -3.0313 -2.3713 -2.3692 -2.3488 -2.3433 0.3839 0.3903 0.5238 0.5265 1.7953 1.7958 2.5762 2.5772 2.6232 2.6371 3.7153 3.7178 4.1765 4.1931 8.3036 8.3698 9.3221 9.3789 9.5121 9.5196 10.8851 10.8937 k = 0.5506 0.3859 0.3634 ( 3166 PWs) bands (ev): -21.3542 -21.3542 -15.9059 -15.9058 -15.8854 -15.8854 -6.6501 -6.6228 -6.1260 -6.1234 -6.0852 -6.0437 -3.9917 -3.9664 -3.9473 -3.9469 -3.9085 -3.9083 -3.0324 -3.0305 -2.3669 -2.3653 -2.3442 -2.3393 0.3947 0.4007 0.5200 0.5224 1.7958 1.7963 2.5786 2.5804 2.6157 2.6283 3.7209 3.7232 4.1758 4.1918 8.2976 8.3632 9.3124 9.3678 9.4871 9.4941 10.8803 10.8907 k = 0.5518 0.3961 0.3730 ( 3171 PWs) bands (ev): -21.3536 -21.3536 -15.9066 -15.9064 -15.8862 -15.8861 -6.6557 -6.6300 -6.1251 -6.1230 -6.0838 -6.0439 -3.9892 -3.9653 -3.9460 -3.9459 -3.9075 -3.9070 -3.0327 -3.0304 -2.3632 -2.3621 -2.3399 -2.3358 0.4054 0.4110 0.5171 0.5191 1.7945 1.7950 2.5805 2.5831 2.6104 2.6214 3.7260 3.7282 4.1751 4.1905 8.2919 8.3558 9.3035 9.3564 9.4654 9.4715 10.8765 10.8878 k = 0.5530 0.4063 0.3826 ( 3173 PWs) bands (ev): -21.3530 -21.3530 -15.9071 -15.9070 -15.8868 -15.8868 -6.6605 -6.6364 -6.1242 -6.1227 -6.0824 -6.0444 -3.9867 -3.9643 -3.9448 -3.9448 -3.9066 -3.9059 -3.0333 -3.0309 -2.3602 -2.3594 -2.3360 -2.3327 0.4159 0.4211 0.5149 0.5165 1.7916 1.7920 2.5817 2.5854 2.6071 2.6164 3.7307 3.7327 4.1747 4.1893 8.2865 8.3477 9.2952 9.3446 9.4471 9.4519 10.8735 10.8852 k = 0.5543 0.4165 0.3922 ( 3184 PWs) bands (ev): -21.3526 -21.3525 -15.9076 -15.9075 -15.8873 -15.8873 -6.6644 -6.6419 -6.1235 -6.1224 -6.0809 -6.0452 -3.9843 -3.9637 -3.9438 -3.9436 -3.9059 -3.9050 -3.0343 -3.0319 -2.3578 -2.3573 -2.3326 -2.3302 0.4263 0.4311 0.5135 0.5147 1.7873 1.7876 2.5825 2.5872 2.6054 2.6128 3.7348 3.7367 4.1746 4.1883 8.2813 8.3392 9.2874 9.3325 9.4321 9.4352 10.8716 10.8831 k = 0.5555 0.4267 0.4017 ( 3186 PWs) bands (ev): -21.3522 -21.3522 -15.9080 -15.9079 -15.8877 -15.8877 -6.6674 -6.6467 -6.1229 -6.1221 -6.0794 -6.0461 -3.9819 -3.9632 -3.9429 -3.9424 -3.9054 -3.9043 -3.0357 -3.0333 -2.3559 -2.3557 -2.3299 -2.3284 0.4365 0.4409 0.5130 0.5136 1.7819 1.7821 2.5831 2.5886 2.6046 2.6103 3.7385 3.7402 4.1750 4.1877 8.2766 8.3304 9.2801 9.3206 9.4201 9.4215 10.8707 10.8816 k = 0.5567 0.4369 0.4113 ( 3187 PWs) bands (ev): -21.3519 -21.3519 -15.9083 -15.9082 -15.8880 -15.8880 -6.6695 -6.6506 -6.1223 -6.1218 -6.0779 -6.0473 -3.9797 -3.9629 -3.9421 -3.9413 -3.9050 -3.9039 -3.0374 -3.0352 -2.3545 -2.3545 -2.3279 -2.3273 0.4464 0.4505 0.5132 0.5133 1.7756 1.7757 2.5836 2.5894 2.6044 2.6086 3.7416 3.7432 4.1760 4.1876 8.2722 8.3214 9.2734 9.3090 9.4106 9.4107 10.8709 10.8809 Writing output data file TlClO3.save init_run : 3.08s CPU 12.64s WALL ( 1 calls) electrons : 470.02s CPU 476.20s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.27s CPU 2.17s WALL ( 1 calls) Called by electrons: c_bands : 469.97s CPU 475.85s WALL ( 1 calls) v_of_rho : 0.17s CPU 1.14s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.16s CPU 0.72s WALL ( 1 calls) newd : 0.36s CPU 0.54s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.08s WALL ( 293 calls) cegterg : 452.50s CPU 455.75s WALL ( 625 calls) Called by sum_band: Called by *egterg: h_psi : 167.52s CPU 174.19s WALL ( 12147 calls) s_psi : 17.12s CPU 17.83s WALL ( 12147 calls) g_psi : 0.41s CPU 0.46s WALL ( 11229 calls) cdiaghg : 198.67s CPU 196.59s WALL ( 11522 calls) cegterg:over : 41.77s CPU 38.18s WALL ( 11229 calls) cegterg:upda : 6.12s CPU 9.51s WALL ( 11229 calls) cegterg:last : 5.49s CPU 6.20s WALL ( 1887 calls) Called by h_psi: h_psi:vloc : 130.88s CPU 136.71s WALL ( 12147 calls) h_psi:vnl : 36.45s CPU 36.92s WALL ( 12147 calls) add_vuspsi : 9.70s CPU 13.59s WALL ( 12147 calls) General routines calbec : 26.71s CPU 23.25s WALL ( 12147 calls) fft : 0.34s CPU 1.37s WALL ( 19 calls) ffts : 0.01s CPU 0.57s WALL ( 4 calls) fftw : 124.41s CPU 129.51s WALL ( 1085828 calls) interpolate : 0.01s CPU 0.58s WALL ( 4 calls) davcio : 0.03s CPU 0.74s WALL ( 586 calls) Parallel routines fft_scatter : 84.66s CPU 89.71s WALL ( 1085851 calls) PWSCF : 8m31.02s CPU 9m39.20s WALL This run was terminated on: 17:47:33 11Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=