Program PWSCF v.5.1.1 starts on 23Oct2015 at 8:18: 2 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: ./Ga2HgS4.save/ file Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S renormalized file Ga.rel-pbe-dnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D 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 95 40 11 2996 816 126 Max 97 41 12 2997 840 129 Sum 4581 1951 561 143835 39717 6105 bravais-lattice index = 14 lattice parameter (alat) = 12.0053 a.u. unit-cell volume = 1005.7492 (a.u.)^3 number of atoms/cell = 7 number of atomic types = 3 number of electrons = 62.00 number of Kohn-Sham states= 74 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 416.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.005251 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.635393 celldm(5)= -0.635393 celldm(6)= 0.270787 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.270787 0.962639 0.000000 ) a(3) = ( -0.635393 -0.481320 0.603827 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.281296 0.828052 ) b(2) = ( 0.000000 1.038811 0.828052 ) b(3) = ( 0.000000 0.000000 1.656104 ) PseudoPot. # 1 for S read from file: /home/autes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Hg read from file: /home/autes/Pseudo/Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: a7fd98bfb2640362c6e2ed76594f1960 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 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 Ga read from file: /home/autes/Pseudo/Ga.rel-pbe-dnl-rrkjus_psl.1.0.0.UPF MD5 check sum: a45069c11dc40ba088a6a50723da268c 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 1205 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) Hg 12.00 200.59000 Hg( 1.00) Ga 13.00 69.72300 Ga( 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= 289 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034602 k( 2) = ( 0.0000000 0.0000000 0.0201964), wk = 0.0034602 k( 3) = ( 0.0000000 0.0000000 0.0403928), wk = 0.0034602 k( 4) = ( 0.0000000 0.0000000 0.0605892), wk = 0.0034602 k( 5) = ( 0.0000000 0.0000000 0.0807856), wk = 0.0034602 k( 6) = ( 0.0000000 0.0000000 0.1009820), wk = 0.0034602 k( 7) = ( 0.0000000 0.0000000 0.1211784), wk = 0.0034602 k( 8) = ( 0.0000000 0.0000000 0.1413747), wk = 0.0034602 k( 9) = ( 0.0000000 0.0000000 0.1615711), wk = 0.0034602 k( 10) = ( 0.0000000 0.0000000 0.1817675), wk = 0.0034602 k( 11) = ( 0.0000000 0.0000000 0.2019639), wk = 0.0034602 k( 12) = ( 0.0000000 0.0000000 0.2221603), wk = 0.0034602 k( 13) = ( 0.0000000 0.0000000 0.2423567), wk = 0.0034602 k( 14) = ( 0.0000000 0.0000000 0.2625531), wk = 0.0034602 k( 15) = ( 0.0000000 0.0000000 0.2827495), wk = 0.0034602 k( 16) = ( 0.0000000 0.0000000 0.3029459), wk = 0.0034602 k( 17) = ( 0.0000000 0.0000000 0.3231423), wk = 0.0034602 k( 18) = ( 0.0000000 0.0000000 0.3433387), wk = 0.0034602 k( 19) = ( 0.0000000 0.0000000 0.3635351), wk = 0.0034602 k( 20) = ( 0.0000000 0.0000000 0.3837315), wk = 0.0034602 k( 21) = ( 0.0000000 0.0000000 0.4039278), wk = 0.0034602 k( 22) = ( 0.0000000 0.0000000 0.4241242), wk = 0.0034602 k( 23) = ( 0.0000000 0.0000000 0.4443206), wk = 0.0034602 k( 24) = ( 0.0000000 0.0000000 0.4645170), wk = 0.0034602 k( 25) = ( 0.0000000 0.0000000 0.4847134), wk = 0.0034602 k( 26) = ( 0.0000000 0.0000000 0.5049098), wk = 0.0034602 k( 27) = ( 0.0000000 0.0000000 0.5251062), wk = 0.0034602 k( 28) = ( 0.0000000 0.0000000 0.5453026), wk = 0.0034602 k( 29) = ( 0.0000000 0.0000000 0.5654990), wk = 0.0034602 k( 30) = ( 0.0000000 0.0000000 0.5856954), wk = 0.0034602 k( 31) = ( 0.0000000 0.0000000 0.6058918), wk = 0.0034602 k( 32) = ( 0.0000000 0.0000000 0.6260882), wk = 0.0034602 k( 33) = ( 0.0000000 0.0000000 0.6462846), wk = 0.0034602 k( 34) = ( 0.0000000 0.0000000 0.6664809), wk = 0.0034602 k( 35) = ( 0.0000000 0.0000000 0.6866773), wk = 0.0034602 k( 36) = ( 0.0000000 0.0000000 0.7068737), wk = 0.0034602 k( 37) = ( 0.0000000 0.0000000 0.7270701), wk = 0.0034602 k( 38) = ( 0.0000000 0.0000000 0.7472665), wk = 0.0034602 k( 39) = ( 0.0000000 0.0000000 0.7674629), wk = 0.0034602 k( 40) = ( 0.0000000 0.0000000 0.7876593), wk = 0.0034602 k( 41) = ( 0.0000000 0.0000000 0.8078557), wk = 0.0034602 k( 42) = ( 0.0000000 0.0000000 0.8280521), wk = 0.0034602 k( 43) = ( 0.0000000 0.0000000 0.8280521), wk = 0.0034602 k( 44) = ( -0.0119548 0.0157816 0.8280521), wk = 0.0034602 k( 45) = ( -0.0239095 0.0315631 0.8280521), wk = 0.0034602 k( 46) = ( -0.0358643 0.0473447 0.8280521), wk = 0.0034602 k( 47) = ( -0.0478190 0.0631262 0.8280521), wk = 0.0034602 k( 48) = ( -0.0597738 0.0789078 0.8280521), wk = 0.0034602 k( 49) = ( -0.0717286 0.0946893 0.8280521), wk = 0.0034602 k( 50) = ( -0.0836833 0.1104709 0.8280521), wk = 0.0034602 k( 51) = ( -0.0956381 0.1262524 0.8280521), wk = 0.0034602 k( 52) = ( -0.1075928 0.1420340 0.8280521), wk = 0.0034602 k( 53) = ( -0.1195476 0.1578156 0.8280521), wk = 0.0034602 k( 54) = ( -0.1315024 0.1735971 0.8280521), wk = 0.0034602 k( 55) = ( -0.1434571 0.1893787 0.8280521), wk = 0.0034602 k( 56) = ( -0.1434571 0.1893787 0.8280521), wk = 0.0034602 k( 57) = ( -0.1519462 0.2005852 0.8139932), wk = 0.0034602 k( 58) = ( -0.1604354 0.2117917 0.7999344), wk = 0.0034602 k( 59) = ( -0.1689245 0.2229983 0.7858755), wk = 0.0034602 k( 60) = ( -0.1774136 0.2342048 0.7718167), wk = 0.0034602 k( 61) = ( -0.1859027 0.2454114 0.7577578), wk = 0.0034602 k( 62) = ( -0.1943918 0.2566179 0.7436989), wk = 0.0034602 k( 63) = ( -0.2028809 0.2678244 0.7296401), wk = 0.0034602 k( 64) = ( -0.2113701 0.2790310 0.7155812), wk = 0.0034602 k( 65) = ( -0.2198592 0.2902375 0.7015223), wk = 0.0034602 k( 66) = ( -0.2283483 0.3014440 0.6874635), wk = 0.0034602 k( 67) = ( -0.2368374 0.3126506 0.6734046), wk = 0.0034602 k( 68) = ( -0.2453265 0.3238571 0.6593458), wk = 0.0034602 k( 69) = ( -0.2538156 0.3350636 0.6452869), wk = 0.0034602 k( 70) = ( -0.2623047 0.3462702 0.6312280), wk = 0.0034602 k( 71) = ( -0.2707939 0.3574767 0.6171692), wk = 0.0034602 k( 72) = ( -0.2792830 0.3686833 0.6031103), wk = 0.0034602 k( 73) = ( -0.2877721 0.3798898 0.5890514), wk = 0.0034602 k( 74) = ( -0.2962612 0.3910963 0.5749926), wk = 0.0034602 k( 75) = ( -0.3047503 0.4023029 0.5609337), wk = 0.0034602 k( 76) = ( -0.3132394 0.4135094 0.5468749), wk = 0.0034602 k( 77) = ( -0.3217286 0.4247159 0.5328160), wk = 0.0034602 k( 78) = ( -0.3217286 0.4247159 0.5328160), wk = 0.0034602 k( 79) = ( -0.3132620 0.4135392 0.5187945), wk = 0.0034602 k( 80) = ( -0.3047955 0.4023625 0.5047731), wk = 0.0034602 k( 81) = ( -0.2963289 0.3911857 0.4907516), wk = 0.0034602 k( 82) = ( -0.2878624 0.3800090 0.4767301), wk = 0.0034602 k( 83) = ( -0.2793959 0.3688323 0.4627086), wk = 0.0034602 k( 84) = ( -0.2709293 0.3576555 0.4486872), wk = 0.0034602 k( 85) = ( -0.2624628 0.3464788 0.4346657), wk = 0.0034602 k( 86) = ( -0.2539962 0.3353021 0.4206442), wk = 0.0034602 k( 87) = ( -0.2455297 0.3241253 0.4066227), wk = 0.0034602 k( 88) = ( -0.2370632 0.3129486 0.3926013), wk = 0.0034602 k( 89) = ( -0.2285966 0.3017719 0.3785798), wk = 0.0034602 k( 90) = ( -0.2201301 0.2905951 0.3645583), wk = 0.0034602 k( 91) = ( -0.2116635 0.2794184 0.3505369), wk = 0.0034602 k( 92) = ( -0.2031970 0.2682416 0.3365154), wk = 0.0034602 k( 93) = ( -0.1947304 0.2570649 0.3224939), wk = 0.0034602 k( 94) = ( -0.1862639 0.2458882 0.3084724), wk = 0.0034602 k( 95) = ( -0.1777974 0.2347114 0.2944509), wk = 0.0034602 k( 96) = ( -0.1693308 0.2235347 0.2804295), wk = 0.0034602 k( 97) = ( -0.1608643 0.2123580 0.2664080), wk = 0.0034602 k( 98) = ( -0.1523977 0.2011812 0.2523865), wk = 0.0034602 k( 99) = ( -0.1439312 0.1900045 0.2383651), wk = 0.0034602 k( 100) = ( -0.1354647 0.1788278 0.2243436), wk = 0.0034602 k( 101) = ( -0.1269981 0.1676510 0.2103221), wk = 0.0034602 k( 102) = ( -0.1185316 0.1564743 0.1963006), wk = 0.0034602 k( 103) = ( -0.1100650 0.1452976 0.1822792), wk = 0.0034602 k( 104) = ( -0.1015985 0.1341208 0.1682577), wk = 0.0034602 k( 105) = ( -0.0931320 0.1229441 0.1542362), wk = 0.0034602 k( 106) = ( -0.0846654 0.1117674 0.1402147), wk = 0.0034602 k( 107) = ( -0.0761989 0.1005906 0.1261933), wk = 0.0034602 k( 108) = ( -0.0677323 0.0894139 0.1121718), wk = 0.0034602 k( 109) = ( -0.0592658 0.0782372 0.0981503), wk = 0.0034602 k( 110) = ( -0.0507992 0.0670604 0.0841288), wk = 0.0034602 k( 111) = ( -0.0423327 0.0558837 0.0701074), wk = 0.0034602 k( 112) = ( -0.0338662 0.0447069 0.0560859), wk = 0.0034602 k( 113) = ( -0.0253996 0.0335302 0.0420644), wk = 0.0034602 k( 114) = ( -0.0169331 0.0223535 0.0280429), wk = 0.0034602 k( 115) = ( -0.0084665 0.0111767 0.0140215), wk = 0.0034602 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034602 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034602 k( 118) = ( 0.0156250 0.0118362 -0.0000000), wk = 0.0034602 k( 119) = ( 0.0312500 0.0236723 -0.0000000), wk = 0.0034602 k( 120) = ( 0.0468750 0.0355085 -0.0000000), wk = 0.0034602 k( 121) = ( 0.0625000 0.0473447 -0.0000000), wk = 0.0034602 k( 122) = ( 0.0781250 0.0591808 -0.0000000), wk = 0.0034602 k( 123) = ( 0.0937500 0.0710170 -0.0000000), wk = 0.0034602 k( 124) = ( 0.1093750 0.0828532 -0.0000000), wk = 0.0034602 k( 125) = ( 0.1250000 0.0946893 -0.0000000), wk = 0.0034602 k( 126) = ( 0.1406250 0.1065255 -0.0000000), wk = 0.0034602 k( 127) = ( 0.1562500 0.1183617 -0.0000000), wk = 0.0034602 k( 128) = ( 0.1718750 0.1301978 -0.0000000), wk = 0.0034602 k( 129) = ( 0.1875000 0.1420340 -0.0000000), wk = 0.0034602 k( 130) = ( 0.2031250 0.1538702 -0.0000000), wk = 0.0034602 k( 131) = ( 0.2187500 0.1657063 -0.0000000), wk = 0.0034602 k( 132) = ( 0.2343750 0.1775425 -0.0000000), wk = 0.0034602 k( 133) = ( 0.2500000 0.1893787 -0.0000000), wk = 0.0034602 k( 134) = ( 0.2656250 0.2012148 -0.0000000), wk = 0.0034602 k( 135) = ( 0.2812500 0.2130510 -0.0000000), wk = 0.0034602 k( 136) = ( 0.2968750 0.2248872 -0.0000000), wk = 0.0034602 k( 137) = ( 0.3125000 0.2367233 -0.0000000), wk = 0.0034602 k( 138) = ( 0.3281250 0.2485595 -0.0000000), wk = 0.0034602 k( 139) = ( 0.3437500 0.2603957 -0.0000000), wk = 0.0034602 k( 140) = ( 0.3593750 0.2722318 -0.0000000), wk = 0.0034602 k( 141) = ( 0.3750000 0.2840680 -0.0000000), wk = 0.0034602 k( 142) = ( 0.3906250 0.2959042 -0.0000000), wk = 0.0034602 k( 143) = ( 0.4062500 0.3077403 -0.0000000), wk = 0.0034602 k( 144) = ( 0.4218750 0.3195765 -0.0000000), wk = 0.0034602 k( 145) = ( 0.4375000 0.3314127 -0.0000000), wk = 0.0034602 k( 146) = ( 0.4531250 0.3432488 -0.0000000), wk = 0.0034602 k( 147) = ( 0.4687500 0.3550850 -0.0000000), wk = 0.0034602 k( 148) = ( 0.4843750 0.3669212 -0.0000000), wk = 0.0034602 k( 149) = ( 0.5000000 0.3787573 -0.0000000), wk = 0.0034602 k( 150) = ( 0.5000000 0.3787573 -0.0000000), wk = 0.0034602 k( 151) = ( 0.4915109 0.3899639 0.0140589), wk = 0.0034602 k( 152) = ( 0.4830218 0.4011704 0.0281177), wk = 0.0034602 k( 153) = ( 0.4745327 0.4123769 0.0421766), wk = 0.0034602 k( 154) = ( 0.4660435 0.4235835 0.0562354), wk = 0.0034602 k( 155) = ( 0.4575544 0.4347900 0.0702943), wk = 0.0034602 k( 156) = ( 0.4490653 0.4459966 0.0843532), wk = 0.0034602 k( 157) = ( 0.4405762 0.4572031 0.0984120), wk = 0.0034602 k( 158) = ( 0.4320871 0.4684096 0.1124709), wk = 0.0034602 k( 159) = ( 0.4235980 0.4796162 0.1265298), wk = 0.0034602 k( 160) = ( 0.4151088 0.4908227 0.1405886), wk = 0.0034602 k( 161) = ( 0.4066197 0.5020292 0.1546475), wk = 0.0034602 k( 162) = ( 0.3981306 0.5132358 0.1687063), wk = 0.0034602 k( 163) = ( 0.3896415 0.5244423 0.1827652), wk = 0.0034602 k( 164) = ( 0.3811524 0.5356489 0.1968241), wk = 0.0034602 k( 165) = ( 0.3726633 0.5468554 0.2108829), wk = 0.0034602 k( 166) = ( 0.3641741 0.5580619 0.2249418), wk = 0.0034602 k( 167) = ( 0.3556850 0.5692685 0.2390006), wk = 0.0034602 k( 168) = ( 0.3471959 0.5804750 0.2530595), wk = 0.0034602 k( 169) = ( 0.3387068 0.5916815 0.2671184), wk = 0.0034602 k( 170) = ( 0.3302177 0.6028881 0.2811772), wk = 0.0034602 k( 171) = ( 0.3217286 0.6140946 0.2952361), wk = 0.0034602 k( 172) = ( 0.3217286 0.6140946 0.2952361), wk = 0.0034602 k( 173) = ( 0.3038548 0.6088341 0.3018355), wk = 0.0034602 k( 174) = ( 0.2859809 0.6035736 0.3084350), wk = 0.0034602 k( 175) = ( 0.2681071 0.5983131 0.3150344), wk = 0.0034602 k( 176) = ( 0.2502333 0.5930525 0.3216338), wk = 0.0034602 k( 177) = ( 0.2323595 0.5877920 0.3282333), wk = 0.0034602 k( 178) = ( 0.2144857 0.5825315 0.3348327), wk = 0.0034602 k( 179) = ( 0.1966119 0.5772710 0.3414322), wk = 0.0034602 k( 180) = ( 0.1787381 0.5720105 0.3480316), wk = 0.0034602 k( 181) = ( 0.1608643 0.5667499 0.3546311), wk = 0.0034602 k( 182) = ( 0.1429905 0.5614894 0.3612305), wk = 0.0034602 k( 183) = ( 0.1251167 0.5562289 0.3678299), wk = 0.0034602 k( 184) = ( 0.1072429 0.5509684 0.3744294), wk = 0.0034602 k( 185) = ( 0.0893690 0.5457079 0.3810288), wk = 0.0034602 k( 186) = ( 0.0714952 0.5404474 0.3876283), wk = 0.0034602 k( 187) = ( 0.0536214 0.5351868 0.3942277), wk = 0.0034602 k( 188) = ( 0.0357476 0.5299263 0.4008272), wk = 0.0034602 k( 189) = ( 0.0178738 0.5246658 0.4074266), wk = 0.0034602 k( 190) = ( 0.0000000 0.5194053 0.4140260), wk = 0.0034602 k( 191) = ( 0.0000000 0.5194053 0.4140260), wk = 0.0034602 k( 192) = ( 0.0086207 0.5080251 0.4283028), wk = 0.0034602 k( 193) = ( 0.0172414 0.4966448 0.4425796), wk = 0.0034602 k( 194) = ( 0.0258621 0.4852646 0.4568563), wk = 0.0034602 k( 195) = ( 0.0344828 0.4738844 0.4711331), wk = 0.0034602 k( 196) = ( 0.0431035 0.4625041 0.4854098), wk = 0.0034602 k( 197) = ( 0.0517241 0.4511239 0.4996866), wk = 0.0034602 k( 198) = ( 0.0603448 0.4397437 0.5139634), wk = 0.0034602 k( 199) = ( 0.0689655 0.4283635 0.5282401), wk = 0.0034602 k( 200) = ( 0.0775862 0.4169832 0.5425169), wk = 0.0034602 k( 201) = ( 0.0862069 0.4056030 0.5567937), wk = 0.0034602 k( 202) = ( 0.0948276 0.3942228 0.5710704), wk = 0.0034602 k( 203) = ( 0.1034483 0.3828425 0.5853472), wk = 0.0034602 k( 204) = ( 0.1120690 0.3714623 0.5996239), wk = 0.0034602 k( 205) = ( 0.1206897 0.3600821 0.6139007), wk = 0.0034602 k( 206) = ( 0.1293103 0.3487019 0.6281774), wk = 0.0034602 k( 207) = ( 0.1379310 0.3373216 0.6424542), wk = 0.0034602 k( 208) = ( 0.1465517 0.3259414 0.6567310), wk = 0.0034602 k( 209) = ( 0.1551724 0.3145612 0.6710077), wk = 0.0034602 k( 210) = ( 0.1637931 0.3031810 0.6852845), wk = 0.0034602 k( 211) = ( 0.1724138 0.2918007 0.6995612), wk = 0.0034602 k( 212) = ( 0.1810345 0.2804205 0.7138380), wk = 0.0034602 k( 213) = ( 0.1896552 0.2690403 0.7281148), wk = 0.0034602 k( 214) = ( 0.1982759 0.2576600 0.7423915), wk = 0.0034602 k( 215) = ( 0.2068966 0.2462798 0.7566683), wk = 0.0034602 k( 216) = ( 0.2155172 0.2348996 0.7709450), wk = 0.0034602 k( 217) = ( 0.2241379 0.2235194 0.7852218), wk = 0.0034602 k( 218) = ( 0.2327586 0.2121391 0.7994986), wk = 0.0034602 k( 219) = ( 0.2413793 0.2007589 0.8137753), wk = 0.0034602 k( 220) = ( 0.2500000 0.1893787 0.8280521), wk = 0.0034602 k( 221) = ( 0.2500000 0.1893787 0.8280521), wk = 0.0034602 k( 222) = ( 0.2625000 0.1988476 0.8161731), wk = 0.0034602 k( 223) = ( 0.2750000 0.2083165 0.8042941), wk = 0.0034602 k( 224) = ( 0.2875000 0.2177855 0.7924151), wk = 0.0034602 k( 225) = ( 0.3000000 0.2272544 0.7805361), wk = 0.0034602 k( 226) = ( 0.3125000 0.2367233 0.7686571), wk = 0.0034602 k( 227) = ( 0.3250000 0.2461923 0.7567781), wk = 0.0034602 k( 228) = ( 0.3375000 0.2556612 0.7448991), wk = 0.0034602 k( 229) = ( 0.3500000 0.2651301 0.7330201), wk = 0.0034602 k( 230) = ( 0.3625000 0.2745991 0.7211411), wk = 0.0034602 k( 231) = ( 0.3750000 0.2840680 0.7092621), wk = 0.0034602 k( 232) = ( 0.3875000 0.2935369 0.6973831), wk = 0.0034602 k( 233) = ( 0.4000000 0.3030059 0.6855041), wk = 0.0034602 k( 234) = ( 0.4125000 0.3124748 0.6736251), wk = 0.0034602 k( 235) = ( 0.4250000 0.3219437 0.6617461), wk = 0.0034602 k( 236) = ( 0.4375000 0.3314127 0.6498671), wk = 0.0034602 k( 237) = ( 0.4500000 0.3408816 0.6379881), wk = 0.0034602 k( 238) = ( 0.4625000 0.3503505 0.6261091), wk = 0.0034602 k( 239) = ( 0.4750000 0.3598195 0.6142301), wk = 0.0034602 k( 240) = ( 0.4875000 0.3692884 0.6023512), wk = 0.0034602 k( 241) = ( 0.5000000 0.3787573 0.5904722), wk = 0.0034602 k( 242) = ( 0.5000000 0.3787573 0.5904722), wk = 0.0034602 k( 243) = ( 0.5000000 0.3787573 0.5707898), wk = 0.0034602 k( 244) = ( 0.5000000 0.3787573 0.5511074), wk = 0.0034602 k( 245) = ( 0.5000000 0.3787573 0.5314249), wk = 0.0034602 k( 246) = ( 0.5000000 0.3787573 0.5117425), wk = 0.0034602 k( 247) = ( 0.5000000 0.3787573 0.4920601), wk = 0.0034602 k( 248) = ( 0.5000000 0.3787573 0.4723777), wk = 0.0034602 k( 249) = ( 0.5000000 0.3787573 0.4526953), wk = 0.0034602 k( 250) = ( 0.5000000 0.3787573 0.4330129), wk = 0.0034602 k( 251) = ( 0.5000000 0.3787573 0.4133305), wk = 0.0034602 k( 252) = ( 0.5000000 0.3787573 0.3936481), wk = 0.0034602 k( 253) = ( 0.5000000 0.3787573 0.3739657), wk = 0.0034602 k( 254) = ( 0.5000000 0.3787573 0.3542833), wk = 0.0034602 k( 255) = ( 0.5000000 0.3787573 0.3346009), wk = 0.0034602 k( 256) = ( 0.5000000 0.3787573 0.3149185), wk = 0.0034602 k( 257) = ( 0.5000000 0.3787573 0.2952361), wk = 0.0034602 k( 258) = ( 0.5000000 0.3787573 0.2755537), wk = 0.0034602 k( 259) = ( 0.5000000 0.3787573 0.2558713), wk = 0.0034602 k( 260) = ( 0.5000000 0.3787573 0.2361889), wk = 0.0034602 k( 261) = ( 0.5000000 0.3787573 0.2165065), wk = 0.0034602 k( 262) = ( 0.5000000 0.3787573 0.1968241), wk = 0.0034602 k( 263) = ( 0.5000000 0.3787573 0.1771416), wk = 0.0034602 k( 264) = ( 0.5000000 0.3787573 0.1574592), wk = 0.0034602 k( 265) = ( 0.5000000 0.3787573 0.1377768), wk = 0.0034602 k( 266) = ( 0.5000000 0.3787573 0.1180944), wk = 0.0034602 k( 267) = ( 0.5000000 0.3787573 0.0984120), wk = 0.0034602 k( 268) = ( 0.5000000 0.3787573 0.0787296), wk = 0.0034602 k( 269) = ( 0.5000000 0.3787573 0.0590472), wk = 0.0034602 k( 270) = ( 0.5000000 0.3787573 0.0393648), wk = 0.0034602 k( 271) = ( 0.5000000 0.3787573 0.0196824), wk = 0.0034602 k( 272) = ( 0.5000000 0.3787573 -0.0000000), wk = 0.0034602 k( 273) = ( 0.0000000 0.0000000 0.8280521), wk = 0.0034602 k( 274) = ( 0.0156250 0.0118362 0.8280521), wk = 0.0034602 k( 275) = ( 0.0312500 0.0236723 0.8280521), wk = 0.0034602 k( 276) = ( 0.0468750 0.0355085 0.8280521), wk = 0.0034602 k( 277) = ( 0.0625000 0.0473447 0.8280521), wk = 0.0034602 k( 278) = ( 0.0781250 0.0591808 0.8280521), wk = 0.0034602 k( 279) = ( 0.0937500 0.0710170 0.8280521), wk = 0.0034602 k( 280) = ( 0.1093750 0.0828532 0.8280521), wk = 0.0034602 k( 281) = ( 0.1250000 0.0946893 0.8280521), wk = 0.0034602 k( 282) = ( 0.1406250 0.1065255 0.8280521), wk = 0.0034602 k( 283) = ( 0.1562500 0.1183617 0.8280521), wk = 0.0034602 k( 284) = ( 0.1718750 0.1301978 0.8280521), wk = 0.0034602 k( 285) = ( 0.1875000 0.1420340 0.8280521), wk = 0.0034602 k( 286) = ( 0.2031250 0.1538702 0.8280521), wk = 0.0034602 k( 287) = ( 0.2187500 0.1657063 0.8280521), wk = 0.0034602 k( 288) = ( 0.2343750 0.1775425 0.8280521), wk = 0.0034602 k( 289) = ( 0.2500000 0.1893787 0.8280521), wk = 0.0034602 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034602 k( 2) = ( 0.0000000 0.0000000 0.0121951), wk = 0.0034602 k( 3) = ( 0.0000000 0.0000000 0.0243902), wk = 0.0034602 k( 4) = ( 0.0000000 0.0000000 0.0365854), wk = 0.0034602 k( 5) = ( 0.0000000 0.0000000 0.0487805), wk = 0.0034602 k( 6) = ( 0.0000000 0.0000000 0.0609756), wk = 0.0034602 k( 7) = ( 0.0000000 0.0000000 0.0731707), wk = 0.0034602 k( 8) = ( 0.0000000 0.0000000 0.0853658), wk = 0.0034602 k( 9) = ( 0.0000000 0.0000000 0.0975610), wk = 0.0034602 k( 10) = ( 0.0000000 0.0000000 0.1097561), wk = 0.0034602 k( 11) = ( 0.0000000 0.0000000 0.1219512), wk = 0.0034602 k( 12) = ( 0.0000000 0.0000000 0.1341463), wk = 0.0034602 k( 13) = ( 0.0000000 0.0000000 0.1463415), wk = 0.0034602 k( 14) = ( 0.0000000 0.0000000 0.1585366), wk = 0.0034602 k( 15) = ( 0.0000000 0.0000000 0.1707317), wk = 0.0034602 k( 16) = ( 0.0000000 0.0000000 0.1829268), wk = 0.0034602 k( 17) = ( 0.0000000 0.0000000 0.1951220), wk = 0.0034602 k( 18) = ( 0.0000000 0.0000000 0.2073171), wk = 0.0034602 k( 19) = ( 0.0000000 0.0000000 0.2195122), wk = 0.0034602 k( 20) = ( 0.0000000 0.0000000 0.2317073), wk = 0.0034602 k( 21) = ( 0.0000000 0.0000000 0.2439024), wk = 0.0034602 k( 22) = ( 0.0000000 0.0000000 0.2560976), wk = 0.0034602 k( 23) = ( 0.0000000 0.0000000 0.2682927), wk = 0.0034602 k( 24) = ( 0.0000000 0.0000000 0.2804878), wk = 0.0034602 k( 25) = ( 0.0000000 0.0000000 0.2926829), wk = 0.0034602 k( 26) = ( 0.0000000 0.0000000 0.3048781), wk = 0.0034602 k( 27) = ( 0.0000000 0.0000000 0.3170732), wk = 0.0034602 k( 28) = ( 0.0000000 0.0000000 0.3292683), wk = 0.0034602 k( 29) = ( 0.0000000 0.0000000 0.3414634), wk = 0.0034602 k( 30) = ( 0.0000000 0.0000000 0.3536585), wk = 0.0034602 k( 31) = ( 0.0000000 0.0000000 0.3658537), wk = 0.0034602 k( 32) = ( 0.0000000 0.0000000 0.3780488), wk = 0.0034602 k( 33) = ( 0.0000000 0.0000000 0.3902439), wk = 0.0034602 k( 34) = ( 0.0000000 0.0000000 0.4024390), wk = 0.0034602 k( 35) = ( 0.0000000 0.0000000 0.4146341), wk = 0.0034602 k( 36) = ( 0.0000000 0.0000000 0.4268293), wk = 0.0034602 k( 37) = ( 0.0000000 0.0000000 0.4390244), wk = 0.0034602 k( 38) = ( 0.0000000 0.0000000 0.4512195), wk = 0.0034602 k( 39) = ( 0.0000000 0.0000000 0.4634146), wk = 0.0034602 k( 40) = ( 0.0000000 0.0000000 0.4756098), wk = 0.0034602 k( 41) = ( 0.0000000 0.0000000 0.4878049), wk = 0.0034602 k( 42) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034602 k( 43) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034602 k( 44) = ( -0.0119548 0.0119548 0.5000000), wk = 0.0034602 k( 45) = ( -0.0239095 0.0239095 0.5000000), wk = 0.0034602 k( 46) = ( -0.0358643 0.0358643 0.5000000), wk = 0.0034602 k( 47) = ( -0.0478190 0.0478190 0.5000000), wk = 0.0034602 k( 48) = ( -0.0597738 0.0597738 0.5000000), wk = 0.0034602 k( 49) = ( -0.0717286 0.0717286 0.5000000), wk = 0.0034602 k( 50) = ( -0.0836833 0.0836833 0.5000000), wk = 0.0034602 k( 51) = ( -0.0956381 0.0956381 0.5000000), wk = 0.0034602 k( 52) = ( -0.1075928 0.1075928 0.5000000), wk = 0.0034602 k( 53) = ( -0.1195476 0.1195476 0.5000000), wk = 0.0034602 k( 54) = ( -0.1315024 0.1315024 0.5000000), wk = 0.0034602 k( 55) = ( -0.1434571 0.1434571 0.5000000), wk = 0.0034602 k( 56) = ( -0.1434571 0.1434571 0.5000000), wk = 0.0034602 k( 57) = ( -0.1519462 0.1519462 0.4915109), wk = 0.0034602 k( 58) = ( -0.1604354 0.1604354 0.4830218), wk = 0.0034602 k( 59) = ( -0.1689245 0.1689245 0.4745327), wk = 0.0034602 k( 60) = ( -0.1774136 0.1774136 0.4660435), wk = 0.0034602 k( 61) = ( -0.1859027 0.1859027 0.4575544), wk = 0.0034602 k( 62) = ( -0.1943918 0.1943918 0.4490653), wk = 0.0034602 k( 63) = ( -0.2028809 0.2028809 0.4405762), wk = 0.0034602 k( 64) = ( -0.2113701 0.2113701 0.4320871), wk = 0.0034602 k( 65) = ( -0.2198592 0.2198592 0.4235980), wk = 0.0034602 k( 66) = ( -0.2283483 0.2283483 0.4151088), wk = 0.0034602 k( 67) = ( -0.2368374 0.2368374 0.4066197), wk = 0.0034602 k( 68) = ( -0.2453265 0.2453265 0.3981306), wk = 0.0034602 k( 69) = ( -0.2538156 0.2538156 0.3896415), wk = 0.0034602 k( 70) = ( -0.2623047 0.2623047 0.3811524), wk = 0.0034602 k( 71) = ( -0.2707939 0.2707939 0.3726633), wk = 0.0034602 k( 72) = ( -0.2792830 0.2792830 0.3641741), wk = 0.0034602 k( 73) = ( -0.2877721 0.2877721 0.3556850), wk = 0.0034602 k( 74) = ( -0.2962612 0.2962612 0.3471959), wk = 0.0034602 k( 75) = ( -0.3047503 0.3047503 0.3387068), wk = 0.0034602 k( 76) = ( -0.3132394 0.3132394 0.3302177), wk = 0.0034602 k( 77) = ( -0.3217286 0.3217286 0.3217286), wk = 0.0034602 k( 78) = ( -0.3217286 0.3217286 0.3217286), wk = 0.0034602 k( 79) = ( -0.3132620 0.3132620 0.3132620), wk = 0.0034602 k( 80) = ( -0.3047955 0.3047955 0.3047955), wk = 0.0034602 k( 81) = ( -0.2963289 0.2963289 0.2963289), wk = 0.0034602 k( 82) = ( -0.2878624 0.2878624 0.2878624), wk = 0.0034602 k( 83) = ( -0.2793959 0.2793959 0.2793959), wk = 0.0034602 k( 84) = ( -0.2709293 0.2709293 0.2709293), wk = 0.0034602 k( 85) = ( -0.2624628 0.2624628 0.2624628), wk = 0.0034602 k( 86) = ( -0.2539962 0.2539962 0.2539962), wk = 0.0034602 k( 87) = ( -0.2455297 0.2455297 0.2455297), wk = 0.0034602 k( 88) = ( -0.2370632 0.2370632 0.2370631), wk = 0.0034602 k( 89) = ( -0.2285966 0.2285966 0.2285966), wk = 0.0034602 k( 90) = ( -0.2201301 0.2201301 0.2201301), wk = 0.0034602 k( 91) = ( -0.2116635 0.2116635 0.2116635), wk = 0.0034602 k( 92) = ( -0.2031970 0.2031970 0.2031970), wk = 0.0034602 k( 93) = ( -0.1947304 0.1947304 0.1947304), wk = 0.0034602 k( 94) = ( -0.1862639 0.1862639 0.1862639), wk = 0.0034602 k( 95) = ( -0.1777974 0.1777974 0.1777974), wk = 0.0034602 k( 96) = ( -0.1693308 0.1693308 0.1693308), wk = 0.0034602 k( 97) = ( -0.1608643 0.1608643 0.1608643), wk = 0.0034602 k( 98) = ( -0.1523977 0.1523977 0.1523977), wk = 0.0034602 k( 99) = ( -0.1439312 0.1439312 0.1439312), wk = 0.0034602 k( 100) = ( -0.1354647 0.1354647 0.1354647), wk = 0.0034602 k( 101) = ( -0.1269981 0.1269981 0.1269981), wk = 0.0034602 k( 102) = ( -0.1185316 0.1185316 0.1185316), wk = 0.0034602 k( 103) = ( -0.1100650 0.1100650 0.1100650), wk = 0.0034602 k( 104) = ( -0.1015985 0.1015985 0.1015985), wk = 0.0034602 k( 105) = ( -0.0931320 0.0931319 0.0931319), wk = 0.0034602 k( 106) = ( -0.0846654 0.0846654 0.0846654), wk = 0.0034602 k( 107) = ( -0.0761989 0.0761989 0.0761989), wk = 0.0034602 k( 108) = ( -0.0677323 0.0677323 0.0677323), wk = 0.0034602 k( 109) = ( -0.0592658 0.0592658 0.0592658), wk = 0.0034602 k( 110) = ( -0.0507992 0.0507992 0.0507992), wk = 0.0034602 k( 111) = ( -0.0423327 0.0423327 0.0423327), wk = 0.0034602 k( 112) = ( -0.0338662 0.0338662 0.0338662), wk = 0.0034602 k( 113) = ( -0.0253996 0.0253996 0.0253996), wk = 0.0034602 k( 114) = ( -0.0169331 0.0169331 0.0169331), wk = 0.0034602 k( 115) = ( -0.0084665 0.0084665 0.0084665), wk = 0.0034602 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034602 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034602 k( 118) = ( 0.0156250 0.0156250 -0.0156250), wk = 0.0034602 k( 119) = ( 0.0312500 0.0312500 -0.0312500), wk = 0.0034602 k( 120) = ( 0.0468750 0.0468750 -0.0468750), wk = 0.0034602 k( 121) = ( 0.0625000 0.0625000 -0.0625000), wk = 0.0034602 k( 122) = ( 0.0781250 0.0781250 -0.0781250), wk = 0.0034602 k( 123) = ( 0.0937500 0.0937500 -0.0937500), wk = 0.0034602 k( 124) = ( 0.1093750 0.1093750 -0.1093750), wk = 0.0034602 k( 125) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0034602 k( 126) = ( 0.1406250 0.1406250 -0.1406250), wk = 0.0034602 k( 127) = ( 0.1562500 0.1562500 -0.1562500), wk = 0.0034602 k( 128) = ( 0.1718750 0.1718750 -0.1718750), wk = 0.0034602 k( 129) = ( 0.1875000 0.1875000 -0.1875000), wk = 0.0034602 k( 130) = ( 0.2031250 0.2031250 -0.2031250), wk = 0.0034602 k( 131) = ( 0.2187500 0.2187500 -0.2187500), wk = 0.0034602 k( 132) = ( 0.2343750 0.2343750 -0.2343750), wk = 0.0034602 k( 133) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0034602 k( 134) = ( 0.2656250 0.2656250 -0.2656250), wk = 0.0034602 k( 135) = ( 0.2812500 0.2812500 -0.2812500), wk = 0.0034602 k( 136) = ( 0.2968750 0.2968750 -0.2968750), wk = 0.0034602 k( 137) = ( 0.3125000 0.3125000 -0.3125000), wk = 0.0034602 k( 138) = ( 0.3281250 0.3281250 -0.3281250), wk = 0.0034602 k( 139) = ( 0.3437500 0.3437500 -0.3437500), wk = 0.0034602 k( 140) = ( 0.3593750 0.3593750 -0.3593750), wk = 0.0034602 k( 141) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0034602 k( 142) = ( 0.3906250 0.3906250 -0.3906250), wk = 0.0034602 k( 143) = ( 0.4062500 0.4062500 -0.4062500), wk = 0.0034602 k( 144) = ( 0.4218750 0.4218750 -0.4218750), wk = 0.0034602 k( 145) = ( 0.4375000 0.4375000 -0.4375000), wk = 0.0034602 k( 146) = ( 0.4531250 0.4531250 -0.4531250), wk = 0.0034602 k( 147) = ( 0.4687500 0.4687500 -0.4687500), wk = 0.0034602 k( 148) = ( 0.4843750 0.4843750 -0.4843750), wk = 0.0034602 k( 149) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0034602 k( 150) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0034602 k( 151) = ( 0.4915109 0.5084891 -0.4915109), wk = 0.0034602 k( 152) = ( 0.4830218 0.5169782 -0.4830218), wk = 0.0034602 k( 153) = ( 0.4745327 0.5254673 -0.4745327), wk = 0.0034602 k( 154) = ( 0.4660435 0.5339565 -0.4660435), wk = 0.0034602 k( 155) = ( 0.4575544 0.5424456 -0.4575544), wk = 0.0034602 k( 156) = ( 0.4490653 0.5509347 -0.4490653), wk = 0.0034602 k( 157) = ( 0.4405762 0.5594238 -0.4405762), wk = 0.0034602 k( 158) = ( 0.4320871 0.5679129 -0.4320871), wk = 0.0034602 k( 159) = ( 0.4235980 0.5764020 -0.4235980), wk = 0.0034602 k( 160) = ( 0.4151088 0.5848912 -0.4151088), wk = 0.0034602 k( 161) = ( 0.4066197 0.5933803 -0.4066197), wk = 0.0034602 k( 162) = ( 0.3981306 0.6018694 -0.3981306), wk = 0.0034602 k( 163) = ( 0.3896415 0.6103585 -0.3896415), wk = 0.0034602 k( 164) = ( 0.3811524 0.6188476 -0.3811524), wk = 0.0034602 k( 165) = ( 0.3726633 0.6273367 -0.3726633), wk = 0.0034602 k( 166) = ( 0.3641741 0.6358259 -0.3641741), wk = 0.0034602 k( 167) = ( 0.3556850 0.6443150 -0.3556850), wk = 0.0034602 k( 168) = ( 0.3471959 0.6528041 -0.3471959), wk = 0.0034602 k( 169) = ( 0.3387068 0.6612932 -0.3387068), wk = 0.0034602 k( 170) = ( 0.3302177 0.6697823 -0.3302177), wk = 0.0034602 k( 171) = ( 0.3217286 0.6782714 -0.3217286), wk = 0.0034602 k( 172) = ( 0.3217286 0.6782714 -0.3217286), wk = 0.0034602 k( 173) = ( 0.3038548 0.6683675 -0.3038548), wk = 0.0034602 k( 174) = ( 0.2859809 0.6584635 -0.2859809), wk = 0.0034602 k( 175) = ( 0.2681071 0.6485595 -0.2681071), wk = 0.0034602 k( 176) = ( 0.2502333 0.6386556 -0.2502333), wk = 0.0034602 k( 177) = ( 0.2323595 0.6287516 -0.2323595), wk = 0.0034602 k( 178) = ( 0.2144857 0.6188476 -0.2144857), wk = 0.0034602 k( 179) = ( 0.1966119 0.6089437 -0.1966119), wk = 0.0034602 k( 180) = ( 0.1787381 0.5990397 -0.1787381), wk = 0.0034602 k( 181) = ( 0.1608643 0.5891357 -0.1608643), wk = 0.0034602 k( 182) = ( 0.1429905 0.5792317 -0.1429905), wk = 0.0034602 k( 183) = ( 0.1251167 0.5693278 -0.1251167), wk = 0.0034602 k( 184) = ( 0.1072429 0.5594238 -0.1072429), wk = 0.0034602 k( 185) = ( 0.0893690 0.5495198 -0.0893690), wk = 0.0034602 k( 186) = ( 0.0714952 0.5396159 -0.0714952), wk = 0.0034602 k( 187) = ( 0.0536214 0.5297119 -0.0536214), wk = 0.0034602 k( 188) = ( 0.0357476 0.5198079 -0.0357476), wk = 0.0034602 k( 189) = ( 0.0178738 0.5099040 -0.0178738), wk = 0.0034602 k( 190) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0034602 k( 191) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0034602 k( 192) = ( 0.0086207 0.4913793 0.0086207), wk = 0.0034602 k( 193) = ( 0.0172414 0.4827586 0.0172414), wk = 0.0034602 k( 194) = ( 0.0258621 0.4741379 0.0258621), wk = 0.0034602 k( 195) = ( 0.0344828 0.4655172 0.0344828), wk = 0.0034602 k( 196) = ( 0.0431035 0.4568965 0.0431034), wk = 0.0034602 k( 197) = ( 0.0517241 0.4482759 0.0517241), wk = 0.0034602 k( 198) = ( 0.0603448 0.4396552 0.0603448), wk = 0.0034602 k( 199) = ( 0.0689655 0.4310345 0.0689655), wk = 0.0034602 k( 200) = ( 0.0775862 0.4224138 0.0775862), wk = 0.0034602 k( 201) = ( 0.0862069 0.4137931 0.0862069), wk = 0.0034602 k( 202) = ( 0.0948276 0.4051724 0.0948276), wk = 0.0034602 k( 203) = ( 0.1034483 0.3965517 0.1034483), wk = 0.0034602 k( 204) = ( 0.1120690 0.3879310 0.1120690), wk = 0.0034602 k( 205) = ( 0.1206897 0.3793103 0.1206897), wk = 0.0034602 k( 206) = ( 0.1293103 0.3706897 0.1293103), wk = 0.0034602 k( 207) = ( 0.1379310 0.3620690 0.1379310), wk = 0.0034602 k( 208) = ( 0.1465517 0.3534483 0.1465517), wk = 0.0034602 k( 209) = ( 0.1551724 0.3448276 0.1551724), wk = 0.0034602 k( 210) = ( 0.1637931 0.3362069 0.1637931), wk = 0.0034602 k( 211) = ( 0.1724138 0.3275862 0.1724138), wk = 0.0034602 k( 212) = ( 0.1810345 0.3189655 0.1810345), wk = 0.0034602 k( 213) = ( 0.1896552 0.3103448 0.1896552), wk = 0.0034602 k( 214) = ( 0.1982759 0.3017241 0.1982759), wk = 0.0034602 k( 215) = ( 0.2068966 0.2931035 0.2068965), wk = 0.0034602 k( 216) = ( 0.2155172 0.2844828 0.2155172), wk = 0.0034602 k( 217) = ( 0.2241379 0.2758621 0.2241379), wk = 0.0034602 k( 218) = ( 0.2327586 0.2672414 0.2327586), wk = 0.0034602 k( 219) = ( 0.2413793 0.2586207 0.2413793), wk = 0.0034602 k( 220) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0034602 k( 221) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0034602 k( 222) = ( 0.2625000 0.2625000 0.2303271), wk = 0.0034602 k( 223) = ( 0.2750000 0.2750000 0.2106543), wk = 0.0034602 k( 224) = ( 0.2875000 0.2875000 0.1909814), wk = 0.0034602 k( 225) = ( 0.3000000 0.3000000 0.1713086), wk = 0.0034602 k( 226) = ( 0.3125000 0.3125000 0.1516357), wk = 0.0034602 k( 227) = ( 0.3250000 0.3250000 0.1319629), wk = 0.0034602 k( 228) = ( 0.3375000 0.3375000 0.1122900), wk = 0.0034602 k( 229) = ( 0.3500000 0.3500000 0.0926172), wk = 0.0034602 k( 230) = ( 0.3625000 0.3625000 0.0729443), wk = 0.0034602 k( 231) = ( 0.3750000 0.3750000 0.0532714), wk = 0.0034602 k( 232) = ( 0.3875000 0.3875000 0.0335986), wk = 0.0034602 k( 233) = ( 0.4000000 0.4000000 0.0139257), wk = 0.0034602 k( 234) = ( 0.4125000 0.4125000 -0.0057471), wk = 0.0034602 k( 235) = ( 0.4250000 0.4250000 -0.0254200), wk = 0.0034602 k( 236) = ( 0.4375000 0.4375000 -0.0450928), wk = 0.0034602 k( 237) = ( 0.4500000 0.4500000 -0.0647657), wk = 0.0034602 k( 238) = ( 0.4625000 0.4625000 -0.0844386), wk = 0.0034602 k( 239) = ( 0.4750000 0.4750000 -0.1041114), wk = 0.0034602 k( 240) = ( 0.4875000 0.4875000 -0.1237843), wk = 0.0034602 k( 241) = ( 0.5000000 0.5000000 -0.1434571), wk = 0.0034602 k( 242) = ( 0.5000000 0.5000000 -0.1434571), wk = 0.0034602 k( 243) = ( 0.5000000 0.5000000 -0.1553419), wk = 0.0034602 k( 244) = ( 0.5000000 0.5000000 -0.1672266), wk = 0.0034602 k( 245) = ( 0.5000000 0.5000000 -0.1791114), wk = 0.0034602 k( 246) = ( 0.5000000 0.5000000 -0.1909962), wk = 0.0034602 k( 247) = ( 0.5000000 0.5000000 -0.2028809), wk = 0.0034602 k( 248) = ( 0.5000000 0.5000000 -0.2147657), wk = 0.0034602 k( 249) = ( 0.5000000 0.5000000 -0.2266505), wk = 0.0034602 k( 250) = ( 0.5000000 0.5000000 -0.2385352), wk = 0.0034602 k( 251) = ( 0.5000000 0.5000000 -0.2504200), wk = 0.0034602 k( 252) = ( 0.5000000 0.5000000 -0.2623047), wk = 0.0034602 k( 253) = ( 0.5000000 0.5000000 -0.2741895), wk = 0.0034602 k( 254) = ( 0.5000000 0.5000000 -0.2860743), wk = 0.0034602 k( 255) = ( 0.5000000 0.5000000 -0.2979590), wk = 0.0034602 k( 256) = ( 0.5000000 0.5000000 -0.3098438), wk = 0.0034602 k( 257) = ( 0.5000000 0.5000000 -0.3217286), wk = 0.0034602 k( 258) = ( 0.5000000 0.5000000 -0.3336133), wk = 0.0034602 k( 259) = ( 0.5000000 0.5000000 -0.3454981), wk = 0.0034602 k( 260) = ( 0.5000000 0.5000000 -0.3573829), wk = 0.0034602 k( 261) = ( 0.5000000 0.5000000 -0.3692676), wk = 0.0034602 k( 262) = ( 0.5000000 0.5000000 -0.3811524), wk = 0.0034602 k( 263) = ( 0.5000000 0.5000000 -0.3930371), wk = 0.0034602 k( 264) = ( 0.5000000 0.5000000 -0.4049219), wk = 0.0034602 k( 265) = ( 0.5000000 0.5000000 -0.4168067), wk = 0.0034602 k( 266) = ( 0.5000000 0.5000000 -0.4286914), wk = 0.0034602 k( 267) = ( 0.5000000 0.5000000 -0.4405762), wk = 0.0034602 k( 268) = ( 0.5000000 0.5000000 -0.4524609), wk = 0.0034602 k( 269) = ( 0.5000000 0.5000000 -0.4643457), wk = 0.0034602 k( 270) = ( 0.5000000 0.5000000 -0.4762305), wk = 0.0034602 k( 271) = ( 0.5000000 0.5000000 -0.4881152), wk = 0.0034602 k( 272) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0034602 k( 273) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034602 k( 274) = ( 0.0156250 0.0156250 0.4843750), wk = 0.0034602 k( 275) = ( 0.0312500 0.0312500 0.4687500), wk = 0.0034602 k( 276) = ( 0.0468750 0.0468750 0.4531250), wk = 0.0034602 k( 277) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0034602 k( 278) = ( 0.0781250 0.0781250 0.4218750), wk = 0.0034602 k( 279) = ( 0.0937500 0.0937500 0.4062500), wk = 0.0034602 k( 280) = ( 0.1093750 0.1093750 0.3906250), wk = 0.0034602 k( 281) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0034602 k( 282) = ( 0.1406250 0.1406250 0.3593750), wk = 0.0034602 k( 283) = ( 0.1562500 0.1562500 0.3437500), wk = 0.0034602 k( 284) = ( 0.1718750 0.1718750 0.3281250), wk = 0.0034602 k( 285) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0034602 k( 286) = ( 0.2031250 0.2031250 0.2968750), wk = 0.0034602 k( 287) = ( 0.2187500 0.2187500 0.2812500), wk = 0.0034602 k( 288) = ( 0.2343750 0.2343750 0.2656250), wk = 0.0034602 k( 289) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0034602 Dense grid: 143835 G-vectors FFT dimensions: ( 80, 80, 80) Smooth grid: 39717 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.24 Mb ( 210, 74) NL pseudopotentials 0.38 Mb ( 105, 238) Each V/rho on FFT grid 0.20 Mb ( 12800) Each G-vector array 0.02 Mb ( 2997) G-vector shells 0.01 Mb ( 1356) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.95 Mb ( 210, 296) Each subspace H/S matrix 1.34 Mb ( 296, 296) Each matrix 0.54 Mb ( 238, 2, 74) The potential is recalculated from file : ./Ga2HgS4.save/charge-density.dat Starting wfc are 86 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 49.3 secs Computing kpt #: 2 total cpu time spent up to now is 54.8 secs Computing kpt #: 3 total cpu time spent up to now is 60.4 secs Computing kpt #: 4 total cpu time spent up to now is 66.4 secs Computing kpt #: 5 total cpu time spent up to now is 71.9 secs Computing kpt #: 6 total cpu time spent up to now is 78.0 secs Computing kpt #: 7 total cpu time spent up to now is 83.8 secs Computing kpt #: 8 total cpu time spent up to now is 89.6 secs Computing kpt #: 9 total cpu time spent up to now is 95.6 secs Computing kpt #: 10 total cpu time spent up to now is 101.5 secs Computing kpt #: 11 total cpu time spent up to now is 107.5 secs Computing kpt #: 12 total cpu time spent up to now is 114.7 secs Computing kpt #: 13 total cpu time spent up to now is 121.7 secs Computing kpt #: 14 total cpu time spent up to now is 128.7 secs Computing kpt #: 15 total cpu time spent up to now is 135.8 secs Computing kpt #: 16 total cpu time spent up to now is 142.9 secs Computing kpt #: 17 total cpu time spent up to now is 149.8 secs Computing kpt #: 18 total cpu time spent up to now is 156.4 secs Computing kpt #: 19 total cpu time spent up to now is 163.1 secs Computing kpt #: 20 total cpu time spent up to now is 170.2 secs Computing kpt #: 21 total cpu time spent up to now is 178.5 secs Computing kpt #: 22 total cpu time spent up to now is 184.9 secs Computing kpt #: 23 total cpu time spent up to now is 191.3 secs Computing kpt #: 24 total cpu time spent up to now is 197.3 secs Computing kpt #: 25 total cpu time spent up to now is 203.4 secs Computing kpt #: 26 total cpu time spent up to now is 209.3 secs Computing kpt #: 27 total cpu time spent up to now is 215.3 secs Computing kpt #: 28 total cpu time spent up to now is 221.4 secs Computing kpt #: 29 total cpu time spent up to now is 227.4 secs Computing kpt #: 30 total cpu time spent up to now is 233.5 secs Computing kpt #: 31 total cpu time spent up to now is 240.1 secs Computing kpt #: 32 total cpu time spent up to now is 246.7 secs Computing kpt #: 33 total cpu time spent up to now is 253.3 secs Computing kpt #: 34 total cpu time spent up to now is 260.0 secs Computing kpt #: 35 total cpu time spent up to now is 266.9 secs Computing kpt #: 36 total cpu time spent up to now is 274.3 secs Computing kpt #: 37 total cpu time spent up to now is 281.4 secs Computing kpt #: 38 total cpu time spent up to now is 288.4 secs Computing kpt #: 39 total cpu time spent up to now is 294.8 secs Computing kpt #: 40 total cpu time spent up to now is 300.7 secs Computing kpt #: 41 total cpu time spent up to now is 307.3 secs Computing kpt #: 42 total cpu time spent up to now is 313.6 secs Computing kpt #: 43 total cpu time spent up to now is 319.9 secs Computing kpt #: 44 total cpu time spent up to now is 326.4 secs Computing kpt #: 45 total cpu time spent up to now is 332.8 secs Computing kpt #: 46 total cpu time spent up to now is 339.4 secs Computing kpt #: 47 total cpu time spent up to now is 345.3 secs Computing kpt #: 48 total cpu time spent up to now is 351.4 secs Computing kpt #: 49 total cpu time spent up to now is 357.9 secs Computing kpt #: 50 total cpu time spent up to now is 364.8 secs Computing kpt #: 51 total cpu time spent up to now is 371.5 secs Computing kpt #: 52 total cpu time spent up to now is 378.1 secs Computing kpt #: 53 total cpu time spent up to now is 384.7 secs Computing kpt #: 54 total cpu time spent up to now is 391.2 secs Computing kpt #: 55 total cpu time spent up to now is 397.8 secs Computing kpt #: 56 total cpu time spent up to now is 404.3 secs Computing kpt #: 57 total cpu time spent up to now is 410.7 secs Computing kpt #: 58 total cpu time spent up to now is 416.9 secs Computing kpt #: 59 total cpu time spent up to now is 423.2 secs Computing kpt #: 60 total cpu time spent up to now is 429.1 secs Computing kpt #: 61 total cpu time spent up to now is 435.4 secs Computing kpt #: 62 total cpu time spent up to now is 441.6 secs Computing kpt #: 63 total cpu time spent up to now is 447.9 secs Computing kpt #: 64 total cpu time spent up to now is 454.2 secs Computing kpt #: 65 total cpu time spent up to now is 460.6 secs Computing kpt #: 66 total cpu time spent up to now is 467.1 secs Computing kpt #: 67 total cpu time spent up to now is 476.7 secs Computing kpt #: 68 total cpu time spent up to now is 483.4 secs Computing kpt #: 69 total cpu time spent up to now is 490.3 secs Computing kpt #: 70 total cpu time spent up to now is 497.2 secs Computing kpt #: 71 total cpu time spent up to now is 504.2 secs Computing kpt #: 72 total cpu time spent up to now is 511.2 secs Computing kpt #: 73 total cpu time spent up to now is 518.7 secs Computing kpt #: 74 total cpu time spent up to now is 526.7 secs Computing kpt #: 75 total cpu time spent up to now is 533.7 secs Computing kpt #: 76 total cpu time spent up to now is 540.8 secs Computing kpt #: 77 total cpu time spent up to now is 547.5 secs Computing kpt #: 78 total cpu time spent up to now is 556.8 secs Computing kpt #: 79 total cpu time spent up to now is 563.9 secs Computing kpt #: 80 total cpu time spent up to now is 570.8 secs Computing kpt #: 81 total cpu time spent up to now is 577.9 secs Computing kpt #: 82 total cpu time spent up to now is 584.6 secs Computing kpt #: 83 total cpu time spent up to now is 591.2 secs Computing kpt #: 84 total cpu time spent up to now is 597.6 secs Computing kpt #: 85 total cpu time spent up to now is 604.1 secs Computing kpt #: 86 total cpu time spent up to now is 610.5 secs Computing kpt #: 87 total cpu time spent up to now is 616.5 secs Computing kpt #: 88 total cpu time spent up to now is 622.4 secs Computing kpt #: 89 total cpu time spent up to now is 628.3 secs Computing kpt #: 90 total cpu time spent up to now is 634.1 secs Computing kpt #: 91 total cpu time spent up to now is 640.5 secs Computing kpt #: 92 total cpu time spent up to now is 646.7 secs Computing kpt #: 93 total cpu time spent up to now is 652.4 secs Computing kpt #: 94 total cpu time spent up to now is 658.3 secs Computing kpt #: 95 total cpu time spent up to now is 664.2 secs Computing kpt #: 96 total cpu time spent up to now is 670.2 secs Computing kpt #: 97 total cpu time spent up to now is 676.7 secs Computing kpt #: 98 total cpu time spent up to now is 682.7 secs Computing kpt #: 99 total cpu time spent up to now is 689.1 secs Computing kpt #: 100 total cpu time spent up to now is 695.7 secs Computing kpt #: 101 total cpu time spent up to now is 702.1 secs Computing kpt #: 102 total cpu time spent up to now is 708.7 secs Computing kpt #: 103 total cpu time spent up to now is 715.5 secs Computing kpt #: 104 total cpu time spent up to now is 722.4 secs Computing kpt #: 105 total cpu time spent up to now is 728.8 secs Computing kpt #: 106 total cpu time spent up to now is 735.3 secs Computing kpt #: 107 total cpu time spent up to now is 741.6 secs Computing kpt #: 108 total cpu time spent up to now is 747.5 secs Computing kpt #: 109 total cpu time spent up to now is 753.3 secs Computing kpt #: 110 total cpu time spent up to now is 759.0 secs Computing kpt #: 111 total cpu time spent up to now is 764.7 secs Computing kpt #: 112 total cpu time spent up to now is 771.6 secs Computing kpt #: 113 total cpu time spent up to now is 778.3 secs Computing kpt #: 114 total cpu time spent up to now is 783.9 secs Computing kpt #: 115 total cpu time spent up to now is 789.5 secs Computing kpt #: 116 total cpu time spent up to now is 795.0 secs Computing kpt #: 117 total cpu time spent up to now is 800.5 secs Computing kpt #: 118 total cpu time spent up to now is 806.0 secs Computing kpt #: 119 total cpu time spent up to now is 811.5 secs Computing kpt #: 120 total cpu time spent up to now is 817.0 secs Computing kpt #: 121 total cpu time spent up to now is 822.5 secs Computing kpt #: 122 total cpu time spent up to now is 827.9 secs Computing kpt #: 123 total cpu time spent up to now is 833.3 secs Computing kpt #: 124 total cpu time spent up to now is 838.6 secs Computing kpt #: 125 total cpu time spent up to now is 843.8 secs Computing kpt #: 126 total cpu time spent up to now is 849.0 secs Computing kpt #: 127 total cpu time spent up to now is 854.2 secs Computing kpt #: 128 total cpu time spent up to now is 859.4 secs Computing kpt #: 129 total cpu time spent up to now is 864.8 secs Computing kpt #: 130 total cpu time spent up to now is 870.3 secs Computing kpt #: 131 total cpu time spent up to now is 875.5 secs Computing kpt #: 132 total cpu time spent up to now is 880.7 secs Computing kpt #: 133 total cpu time spent up to now is 885.8 secs Computing kpt #: 134 total cpu time spent up to now is 890.9 secs Computing kpt #: 135 total cpu time spent up to now is 896.1 secs Computing kpt #: 136 total cpu time spent up to now is 901.4 secs Computing kpt #: 137 total cpu time spent up to now is 906.6 secs Computing kpt #: 138 total cpu time spent up to now is 911.8 secs Computing kpt #: 139 total cpu time spent up to now is 917.1 secs Computing kpt #: 140 total cpu time spent up to now is 922.4 secs Computing kpt #: 141 total cpu time spent up to now is 927.8 secs Computing kpt #: 142 total cpu time spent up to now is 933.2 secs Computing kpt #: 143 total cpu time spent up to now is 938.7 secs Computing kpt #: 144 total cpu time spent up to now is 944.1 secs Computing kpt #: 145 total cpu time spent up to now is 949.6 secs Computing kpt #: 146 total cpu time spent up to now is 955.0 secs Computing kpt #: 147 total cpu time spent up to now is 960.4 secs Computing kpt #: 148 total cpu time spent up to now is 965.6 secs Computing kpt #: 149 total cpu time spent up to now is 970.8 secs Computing kpt #: 150 total cpu time spent up to now is 975.9 secs Computing kpt #: 151 total cpu time spent up to now is 981.0 secs Computing kpt #: 152 total cpu time spent up to now is 986.2 secs Computing kpt #: 153 total cpu time spent up to now is 991.5 secs Computing kpt #: 154 total cpu time spent up to now is 996.7 secs Computing kpt #: 155 total cpu time spent up to now is 1002.2 secs Computing kpt #: 156 total cpu time spent up to now is 1007.8 secs Computing kpt #: 157 total cpu time spent up to now is 1013.4 secs Computing kpt #: 158 total cpu time spent up to now is 1019.0 secs Computing kpt #: 159 total cpu time spent up to now is 1024.8 secs Computing kpt #: 160 total cpu time spent up to now is 1030.5 secs Computing kpt #: 161 total cpu time spent up to now is 1036.3 secs Computing kpt #: 162 total cpu time spent up to now is 1042.1 secs Computing kpt #: 163 total cpu time spent up to now is 1048.5 secs Computing kpt #: 164 total cpu time spent up to now is 1054.9 secs Computing kpt #: 165 total cpu time spent up to now is 1061.7 secs Computing kpt #: 166 total cpu time spent up to now is 1068.9 secs Computing kpt #: 167 total cpu time spent up to now is 1077.8 secs Computing kpt #: 168 total cpu time spent up to now is 1085.3 secs Computing kpt #: 169 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1095.6 secs Computing kpt #: 170 total cpu time spent up to now is 1104.5 secs Computing kpt #: 171 total cpu time spent up to now is 1112.0 secs Computing kpt #: 172 total cpu time spent up to now is 1119.1 secs Computing kpt #: 173 total cpu time spent up to now is 1126.1 secs Computing kpt #: 174 total cpu time spent up to now is 1133.1 secs Computing kpt #: 175 total cpu time spent up to now is 1140.3 secs Computing kpt #: 176 total cpu time spent up to now is 1147.4 secs Computing kpt #: 177 total cpu time spent up to now is 1154.3 secs Computing kpt #: 178 total cpu time spent up to now is 1161.4 secs Computing kpt #: 179 total cpu time spent up to now is 1168.2 secs Computing kpt #: 180 total cpu time spent up to now is 1175.0 secs Computing kpt #: 181 total cpu time spent up to now is 1181.9 secs Computing kpt #: 182 total cpu time spent up to now is 1188.7 secs Computing kpt #: 183 total cpu time spent up to now is 1195.7 secs Computing kpt #: 184 total cpu time spent up to now is 1203.5 secs Computing kpt #: 185 total cpu time spent up to now is 1210.8 secs Computing kpt #: 186 total cpu time spent up to now is 1217.8 secs Computing kpt #: 187 total cpu time spent up to now is 1224.5 secs Computing kpt #: 188 total cpu time spent up to now is 1231.3 secs Computing kpt #: 189 total cpu time spent up to now is 1238.0 secs Computing kpt #: 190 total cpu time spent up to now is 1244.7 secs Computing kpt #: 191 total cpu time spent up to now is 1251.2 secs Computing kpt #: 192 total cpu time spent up to now is 1258.0 secs Computing kpt #: 193 total cpu time spent up to now is 1264.8 secs Computing kpt #: 194 total cpu time spent up to now is 1271.7 secs Computing kpt #: 195 total cpu time spent up to now is 1279.1 secs Computing kpt #: 196 total cpu time spent up to now is 1285.9 secs Computing kpt #: 197 total cpu time spent up to now is 1293.1 secs Computing kpt #: 198 total cpu time spent up to now is 1300.2 secs Computing kpt #: 199 total cpu time spent up to now is 1307.4 secs Computing kpt #: 200 total cpu time spent up to now is 1314.3 secs Computing kpt #: 201 total cpu time spent up to now is 1321.2 secs Computing kpt #: 202 total cpu time spent up to now is 1328.0 secs Computing kpt #: 203 total cpu time spent up to now is 1334.8 secs Computing kpt #: 204 total cpu time spent up to now is 1341.4 secs Computing kpt #: 205 total cpu time spent up to now is 1348.0 secs Computing kpt #: 206 total cpu time spent up to now is 1354.6 secs Computing kpt #: 207 total cpu time spent up to now is 1360.7 secs Computing kpt #: 208 total cpu time spent up to now is 1367.1 secs Computing kpt #: 209 total cpu time spent up to now is 1376.1 secs Computing kpt #: 210 total cpu time spent up to now is 1382.3 secs Computing kpt #: 211 total cpu time spent up to now is 1388.5 secs Computing kpt #: 212 total cpu time spent up to now is 1394.8 secs Computing kpt #: 213 total cpu time spent up to now is 1400.8 secs Computing kpt #: 214 total cpu time spent up to now is 1407.3 secs Computing kpt #: 215 total cpu time spent up to now is 1413.2 secs Computing kpt #: 216 total cpu time spent up to now is 1419.2 secs Computing kpt #: 217 total cpu time spent up to now is 1425.1 secs Computing kpt #: 218 total cpu time spent up to now is 1431.6 secs Computing kpt #: 219 total cpu time spent up to now is 1437.9 secs Computing kpt #: 220 total cpu time spent up to now is 1444.1 secs Computing kpt #: 221 total cpu time spent up to now is 1450.0 secs Computing kpt #: 222 total cpu time spent up to now is 1456.0 secs Computing kpt #: 223 total cpu time spent up to now is 1462.0 secs Computing kpt #: 224 total cpu time spent up to now is 1468.3 secs Computing kpt #: 225 total cpu time spent up to now is 1474.6 secs Computing kpt #: 226 total cpu time spent up to now is 1480.8 secs Computing kpt #: 227 total cpu time spent up to now is 1487.3 secs Computing kpt #: 228 total cpu time spent up to now is 1493.5 secs Computing kpt #: 229 total cpu time spent up to now is 1500.0 secs Computing kpt #: 230 total cpu time spent up to now is 1506.6 secs Computing kpt #: 231 total cpu time spent up to now is 1512.7 secs Computing kpt #: 232 total cpu time spent up to now is 1518.9 secs Computing kpt #: 233 total cpu time spent up to now is 1525.1 secs Computing kpt #: 234 total cpu time spent up to now is 1531.8 secs Computing kpt #: 235 total cpu time spent up to now is 1538.3 secs Computing kpt #: 236 total cpu time spent up to now is 1545.2 secs Computing kpt #: 237 total cpu time spent up to now is 1552.0 secs Computing kpt #: 238 total cpu time spent up to now is 1558.6 secs Computing kpt #: 239 total cpu time spent up to now is 1565.1 secs Computing kpt #: 240 total cpu time spent up to now is 1571.9 secs Computing kpt #: 241 total cpu time spent up to now is 1578.5 secs Computing kpt #: 242 total cpu time spent up to now is 1585.3 secs Computing kpt #: 243 total cpu time spent up to now is 1591.9 secs Computing kpt #: 244 total cpu time spent up to now is 1598.2 secs Computing kpt #: 245 total cpu time spent up to now is 1604.6 secs Computing kpt #: 246 total cpu time spent up to now is 1610.9 secs Computing kpt #: 247 total cpu time spent up to now is 1617.3 secs Computing kpt #: 248 total cpu time spent up to now is 1623.9 secs Computing kpt #: 249 total cpu time spent up to now is 1630.5 secs Computing kpt #: 250 total cpu time spent up to now is 1637.2 secs Computing kpt #: 251 total cpu time spent up to now is 1644.1 secs Computing kpt #: 252 total cpu time spent up to now is 1652.6 secs Computing kpt #: 253 total cpu time spent up to now is 1659.4 secs Computing kpt #: 254 total cpu time spent up to now is 1666.2 secs Computing kpt #: 255 total cpu time spent up to now is 1675.2 secs Computing kpt #: 256 total cpu time spent up to now is 1681.9 secs Computing kpt #: 257 total cpu time spent up to now is 1688.6 secs Computing kpt #: 258 total cpu time spent up to now is 1695.4 secs Computing kpt #: 259 total cpu time spent up to now is 1701.7 secs Computing kpt #: 260 total cpu time spent up to now is 1708.2 secs Computing kpt #: 261 total cpu time spent up to now is 1714.2 secs Computing kpt #: 262 total cpu time spent up to now is 1719.9 secs Computing kpt #: 263 total cpu time spent up to now is 1725.7 secs Computing kpt #: 264 total cpu time spent up to now is 1731.4 secs Computing kpt #: 265 total cpu time spent up to now is 1737.1 secs Computing kpt #: 266 total cpu time spent up to now is 1742.6 secs Computing kpt #: 267 total cpu time spent up to now is 1748.0 secs Computing kpt #: 268 total cpu time spent up to now is 1753.4 secs Computing kpt #: 269 total cpu time spent up to now is 1758.5 secs Computing kpt #: 270 total cpu time spent up to now is 1763.7 secs Computing kpt #: 271 total cpu time spent up to now is 1768.8 secs Computing kpt #: 272 total cpu time spent up to now is 1774.1 secs Computing kpt #: 273 total cpu time spent up to now is 1780.7 secs Computing kpt #: 274 total cpu time spent up to now is 1787.3 secs Computing kpt #: 275 total cpu time spent up to now is 1793.8 secs Computing kpt #: 276 total cpu time spent up to now is 1800.3 secs Computing kpt #: 277 total cpu time spent up to now is 1806.9 secs Computing kpt #: 278 total cpu time spent up to now is 1812.9 secs Computing kpt #: 279 total cpu time spent up to now is 1819.6 secs Computing kpt #: 280 total cpu time spent up to now is 1826.1 secs Computing kpt #: 281 total cpu time spent up to now is 1832.1 secs Computing kpt #: 282 total cpu time spent up to now is 1838.1 secs Computing kpt #: 283 total cpu time spent up to now is 1844.1 secs Computing kpt #: 284 total cpu time spent up to now is 1850.8 secs Computing kpt #: 285 total cpu time spent up to now is 1857.3 secs Computing kpt #: 286 total cpu time spent up to now is 1863.4 secs Computing kpt #: 287 total cpu time spent up to now is 1869.8 secs Computing kpt #: 288 total cpu time spent up to now is 1876.2 secs Computing kpt #: 289 total cpu time spent up to now is 1882.2 secs ethr = 1.61E-11, avg # of iterations = 43.1 total cpu time spent up to now is 1882.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4949 PWs) bands (ev): -8.3580 -8.3580 -8.3515 -8.3515 -8.2279 -8.2279 -8.1754 -8.1754 -7.9892 -7.9892 -7.8194 -7.8194 -7.7822 -7.7822 -7.7215 -7.7215 -7.7052 -7.7052 -7.7035 -7.7035 -7.3980 -7.3980 -5.3242 -5.3242 -5.3105 -5.3105 -5.2167 -5.2167 -1.0436 -1.0436 -0.8328 -0.8328 -0.4905 -0.4905 0.6601 0.6601 0.8156 0.8156 0.9138 0.9138 1.0351 1.0351 2.5693 2.5693 2.6278 2.6278 2.7264 2.7264 3.0191 3.0191 3.9937 3.9937 4.3645 4.3645 4.4611 4.4611 6.0266 6.0266 6.2022 6.2022 6.2304 6.2304 8.0951 8.0951 9.7836 9.7836 9.8559 9.8559 11.6480 11.6480 11.9106 11.9106 12.0791 12.0791 k = 0.0000 0.0000 0.0202 ( 4961 PWs) bands (ev): -8.3582 -8.3579 -8.3523 -8.3506 -8.2303 -8.2255 -8.1765 -8.1744 -7.9921 -7.9864 -7.8214 -7.8177 -7.7830 -7.7814 -7.7218 -7.7212 -7.7061 -7.7056 -7.7043 -7.7016 -7.3981 -7.3957 -5.3251 -5.3249 -5.3119 -5.3107 -5.2175 -5.2157 -1.0499 -1.0362 -0.8340 -0.8316 -0.5032 -0.4780 0.6529 0.6670 0.8069 0.8167 0.9151 0.9173 1.0281 1.0441 2.5542 2.5752 2.6213 2.6233 2.7277 2.7481 3.0195 3.0238 3.9860 3.9943 4.3653 4.3668 4.4617 4.4647 6.0231 6.0277 6.1938 6.2002 6.2237 6.2290 8.1023 8.1047 9.7859 9.7869 9.8582 9.8598 11.6388 11.6410 11.9100 11.9190 12.0806 12.0820 k = 0.0000 0.0000 0.0404 ( 4965 PWs) bands (ev): -8.3585 -8.3582 -8.3527 -8.3496 -8.2328 -8.2232 -8.1778 -8.1735 -7.9949 -7.9835 -7.8238 -7.8163 -7.7835 -7.7804 -7.7223 -7.7211 -7.7081 -7.7060 -7.7039 -7.6997 -7.3960 -7.3912 -5.3276 -5.3274 -5.3146 -5.3125 -5.2182 -5.2145 -1.0550 -1.0276 -0.8352 -0.8304 -0.5160 -0.4658 0.6452 0.6735 0.7932 0.8100 0.9194 0.9252 1.0231 1.0549 2.5344 2.5695 2.6101 2.6123 2.7502 2.7818 3.0252 3.0331 3.9717 3.9877 4.3682 4.3726 4.4663 4.4732 6.0173 6.0265 6.1684 6.1847 6.2162 6.2227 8.1261 8.1304 9.7933 9.7945 9.8672 9.8707 11.6153 11.6199 11.9153 11.9333 12.0865 12.0895 k = 0.0000 0.0000 0.0606 ( 4963 PWs) bands (ev): -8.3589 -8.3587 -8.3528 -8.3485 -8.2353 -8.2210 -8.1792 -8.1728 -7.9976 -7.9805 -7.8264 -7.8153 -7.7838 -7.7793 -7.7229 -7.7211 -7.7102 -7.7064 -7.7034 -7.6980 -7.3917 -7.3848 -5.3318 -5.3316 -5.3184 -5.3159 -5.2186 -5.2134 -1.0588 -1.0180 -0.8363 -0.8293 -0.5285 -0.4541 0.6370 0.6795 0.7771 0.7982 0.9235 0.9356 1.0201 1.0670 2.5142 2.5546 2.5983 2.6024 2.7834 2.8202 3.0364 3.0467 3.9513 3.9744 4.3719 4.3819 4.4751 4.4877 6.0087 6.0226 6.1250 6.1510 6.2107 6.2181 8.1650 8.1704 9.8024 9.8055 9.8845 9.8913 11.5815 11.5884 11.9225 11.9493 12.0965 12.1021 k = 0.0000 0.0000 0.0808 ( 4965 PWs) bands (ev): -8.3595 -8.3593 -8.3526 -8.3473 -8.2379 -8.2189 -8.1807 -8.1723 -8.0002 -7.9775 -7.8292 -7.8146 -7.7840 -7.7782 -7.7236 -7.7211 -7.7123 -7.7067 -7.7029 -7.6964 -7.3852 -7.3763 -5.3380 -5.3373 -5.3233 -5.3205 -5.2189 -5.2123 -1.0613 -1.0075 -0.8372 -0.8283 -0.5408 -0.4430 0.6283 0.6851 0.7602 0.7839 0.9258 0.9460 1.0190 1.0794 2.4966 2.5379 2.5868 2.5927 2.8208 2.8595 3.0534 3.0642 3.9256 3.9550 4.3762 4.3939 4.4882 4.5081 5.9964 6.0150 6.0684 6.1026 6.2055 6.2144 8.2171 8.2225 9.8107 9.8180 9.9117 9.9232 11.5408 11.5500 11.9285 11.9636 12.1106 12.1196 k = 0.0000 0.0000 0.1010 ( 4957 PWs) bands (ev): -8.3604 -8.3597 -8.3522 -8.3460 -8.2405 -8.2169 -8.1823 -8.1719 -8.0028 -7.9744 -7.8323 -7.8142 -7.7838 -7.7771 -7.7246 -7.7212 -7.7141 -7.7070 -7.7024 -7.6951 -7.3765 -7.3658 -5.3462 -5.3446 -5.3292 -5.3262 -5.2192 -5.2114 -1.0627 -0.9963 -0.8378 -0.8273 -0.5526 -0.4325 0.6190 0.6900 0.7434 0.7691 0.9259 0.9545 1.0198 1.0910 2.4833 2.5239 2.5765 2.5823 2.8589 2.8969 3.0766 3.0857 3.8955 3.9306 4.3817 4.4077 4.5064 4.5340 5.9769 5.9886 6.0168 6.0465 6.1999 6.2105 8.2798 8.2843 9.8185 9.8301 9.9500 9.9661 11.4960 11.5071 11.9321 11.9743 12.1283 12.1410 k = 0.0000 0.0000 0.1212 ( 4961 PWs) bands (ev): -8.3614 -8.3601 -8.3518 -8.3448 -8.2431 -8.2150 -8.1839 -8.1718 -8.0052 -7.9714 -7.8356 -7.8140 -7.7836 -7.7760 -7.7258 -7.7214 -7.7158 -7.7071 -7.7020 -7.6939 -7.3657 -7.3535 -5.3561 -5.3535 -5.3360 -5.3327 -5.2195 -5.2108 -1.0628 -0.9845 -0.8380 -0.8265 -0.5637 -0.4228 0.6093 0.6934 0.7273 0.7551 0.9238 0.9604 1.0219 1.1005 2.4746 2.5144 2.5688 2.5716 2.8949 2.9302 3.1064 3.1113 3.8618 3.9022 4.3896 4.4229 4.5295 4.5641 5.9164 5.9363 5.9982 6.0002 6.1935 6.2058 8.3508 8.3535 9.8262 9.8416 9.9988 10.0188 11.4485 11.4614 11.9333 11.9808 12.1487 12.1645 k = 0.0000 0.0000 0.1414 ( 4957 PWs) bands (ev): -8.3624 -8.3605 -8.3512 -8.3435 -8.2457 -8.2133 -8.1856 -8.1718 -8.0076 -7.9683 -7.8390 -7.8141 -7.7831 -7.7749 -7.7272 -7.7217 -7.7173 -7.7071 -7.7016 -7.6929 -7.3528 -7.3393 -5.3676 -5.3642 -5.3438 -5.3398 -5.2199 -5.2105 -1.0617 -0.9725 -0.8376 -0.8257 -0.5739 -0.4139 0.5991 0.6929 0.7143 0.7432 0.9197 0.9637 1.0242 1.1068 2.4696 2.5094 2.5598 2.5687 2.9264 2.9580 3.1413 3.1428 3.8260 3.8709 4.4005 4.4400 4.5569 4.5976 5.8333 5.8671 5.9699 5.9836 6.1864 6.2004 8.4274 8.4284 9.8342 9.8528 10.0569 10.0799 11.3996 11.4138 11.9326 11.9834 12.1707 12.1888 k = 0.0000 0.0000 0.1616 ( 4949 PWs) bands (ev): -8.3635 -8.3608 -8.3505 -8.3422 -8.2483 -8.2118 -8.1872 -8.1719 -8.0099 -7.9651 -7.8426 -7.8143 -7.7826 -7.7738 -7.7287 -7.7222 -7.7184 -7.7070 -7.7013 -7.6921 -7.3379 -7.3234 -5.3805 -5.3764 -5.3524 -5.3477 -5.2206 -5.2106 -1.0595 -0.9607 -0.8365 -0.8250 -0.5830 -0.4059 0.5885 0.6835 0.7083 0.7345 0.9138 0.9651 1.0256 1.1092 2.4657 2.5075 2.5529 2.5763 2.9510 2.9795 3.1763 3.1848 3.7900 3.8383 4.4151 4.4593 4.5877 4.6335 5.7456 5.7849 5.9456 5.9649 6.1784 6.1940 8.5056 8.5093 9.8429 9.8642 10.1232 10.1481 11.3500 11.3652 11.9306 11.9828 12.1929 12.2125 k = 0.0000 0.0000 0.1818 ( 4953 PWs) bands (ev): -8.3646 -8.3612 -8.3498 -8.3410 -8.2509 -8.2106 -8.1887 -8.1722 -8.0121 -7.9620 -7.8464 -7.8147 -7.7819 -7.7728 -7.7304 -7.7230 -7.7192 -7.7068 -7.7010 -7.6914 -7.3210 -7.3058 -5.3948 -5.3902 -5.3617 -5.3563 -5.2217 -5.2112 -1.0563 -0.9496 -0.8346 -0.8239 -0.5909 -0.3987 0.5775 0.6685 0.7050 0.7304 0.9064 0.9650 1.0252 1.1071 2.4601 2.5041 2.5568 2.5944 2.9671 2.9946 3.2157 3.2311 3.7558 3.8057 4.4337 4.4815 4.6207 4.6710 5.6554 5.6975 5.9203 5.9429 6.1697 6.1866 8.5857 8.5930 9.8522 9.8756 10.1962 10.2222 11.3004 11.3161 11.9276 11.9795 12.2133 12.2345 k = 0.0000 0.0000 0.2020 ( 4953 PWs) bands (ev): -8.3657 -8.3616 -8.3491 -8.3397 -8.2534 -8.2095 -8.1902 -8.1727 -8.0141 -7.9588 -7.8502 -7.8151 -7.7812 -7.7719 -7.7320 -7.7240 -7.7197 -7.7065 -7.7008 -7.6908 -7.3023 -7.2865 -5.4104 -5.4053 -5.3716 -5.3655 -5.2230 -5.2122 -1.0520 -0.9395 -0.8322 -0.8221 -0.5971 -0.3924 0.5661 0.6524 0.7005 0.7303 0.8977 0.9640 1.0224 1.1005 2.4523 2.4955 2.5763 2.6230 2.9739 3.0031 3.2588 3.2803 3.7259 3.7749 4.4563 4.5069 4.6545 4.7091 5.5646 5.6078 5.8925 5.9175 6.1601 6.1783 8.6666 8.6778 9.8623 9.8873 10.2744 10.3006 11.2514 11.2671 11.9241 11.9742 12.2273 12.2539 k = 0.0000 0.0000 0.2222 ( 4957 PWs) bands (ev): -8.3668 -8.3620 -8.3483 -8.3384 -8.2559 -8.2089 -8.1916 -8.1732 -8.0160 -7.9556 -7.8542 -7.8156 -7.7805 -7.7710 -7.7337 -7.7251 -7.7201 -7.7062 -7.7006 -7.6903 -7.2818 -7.2657 -5.4271 -5.4217 -5.3820 -5.3752 -5.2248 -5.2137 -1.0468 -0.9310 -0.8302 -0.8186 -0.6015 -0.3869 0.5542 0.6364 0.6956 0.7321 0.8879 0.9622 1.0172 1.0895 2.4433 2.4838 2.6087 2.6607 2.9715 3.0047 3.3040 3.3309 3.7028 3.7478 4.4827 4.5353 4.6877 4.7468 5.4751 5.5183 5.8620 5.8887 6.1496 6.1691 8.7474 8.7626 9.8730 9.8991 10.3562 10.3815 11.2034 11.2190 11.9203 11.9673 12.2252 12.2716 k = 0.0000 0.0000 0.2424 ( 4953 PWs) bands (ev): -8.3679 -8.3623 -8.3474 -8.3370 -8.2584 -8.2085 -8.1927 -8.1739 -8.0178 -7.9523 -7.8582 -7.8161 -7.7798 -7.7701 -7.7354 -7.7264 -7.7203 -7.7058 -7.7005 -7.6899 -7.2596 -7.2433 -5.4450 -5.4393 -5.3930 -5.3856 -5.2270 -5.2157 -1.0407 -0.9243 -0.8290 -0.8129 -0.6035 -0.3822 0.5415 0.6208 0.6912 0.7345 0.8771 0.9598 1.0098 1.0745 2.4339 2.4711 2.6511 2.7051 2.9613 2.9993 3.3499 3.3819 3.6886 3.7264 4.5126 4.5666 4.7187 4.7829 5.3891 5.4314 5.8288 5.8567 6.1384 6.1589 8.8275 8.8465 9.8841 9.9109 10.4391 10.4627 11.1576 11.1726 11.9166 11.9593 12.2042 12.2854 k = 0.0000 0.0000 0.2626 ( 4955 PWs) bands (ev): -8.3690 -8.3626 -8.3466 -8.3357 -8.2607 -8.2086 -8.1937 -8.1747 -8.0194 -7.9491 -7.8623 -7.8166 -7.7791 -7.7693 -7.7370 -7.7278 -7.7204 -7.7054 -7.7005 -7.6896 -7.2358 -7.2194 -5.4638 -5.4580 -5.4043 -5.3963 -5.2297 -5.2182 -1.0340 -0.9193 -0.8285 -0.8058 -0.6028 -0.3782 0.5279 0.6058 0.6875 0.7366 0.8658 0.9567 1.0007 1.0563 2.4243 2.4584 2.7011 2.7508 2.9481 2.9877 3.3946 3.4319 3.6847 3.7125 4.5457 4.6002 4.7450 4.8153 5.3095 5.3500 5.7929 5.8217 6.1264 6.1478 8.9062 8.9289 9.8956 9.9224 10.5198 10.5412 11.1155 11.1295 11.9130 11.9507 12.1729 12.2867 k = 0.0000 0.0000 0.2827 ( 4951 PWs) bands (ev): -8.3700 -8.3629 -8.3457 -8.3344 -8.2630 -8.2090 -8.1944 -8.1755 -8.0208 -7.9458 -7.8664 -7.8171 -7.7784 -7.7686 -7.7386 -7.7292 -7.7204 -7.7050 -7.7004 -7.6892 -7.2105 -7.1942 -5.4836 -5.4776 -5.4160 -5.4075 -5.2329 -5.2212 -1.0266 -0.9159 -0.8283 -0.7984 -0.5988 -0.3748 0.5132 0.5913 0.6848 0.7381 0.8543 0.9529 0.9905 1.0357 2.4145 2.4461 2.7553 2.7842 2.9458 2.9732 3.4366 3.4792 3.6915 3.7083 4.5812 4.6352 4.7635 4.8407 5.2399 5.2787 5.7549 5.7840 6.1136 6.1358 8.9832 9.0090 9.9071 9.9335 10.5929 10.6127 11.0804 11.0930 11.9100 11.9419 12.1382 12.2689 k = 0.0000 0.0000 0.3029 ( 4951 PWs) bands (ev): -8.3710 -8.3632 -8.3448 -8.3330 -8.2652 -8.2098 -8.1951 -8.1763 -8.0221 -7.9425 -7.8706 -7.8177 -7.7777 -7.7679 -7.7401 -7.7306 -7.7204 -7.7046 -7.7004 -7.6890 -7.1837 -7.1675 -5.5043 -5.4981 -5.4279 -5.4190 -5.2366 -5.2248 -1.0188 -0.9136 -0.8282 -0.7916 -0.5913 -0.3720 0.4974 0.5772 0.6829 0.7383 0.8432 0.9478 0.9796 1.0141 2.4039 2.4343 2.7814 2.8092 2.9568 2.9832 3.4744 3.5214 3.7067 3.7176 4.6181 4.6694 4.7717 4.8539 5.1856 5.2234 5.7152 5.7443 6.1000 6.1229 9.0580 9.0866 9.9184 9.9438 10.6500 10.6699 11.0584 11.0690 11.9077 11.9333 12.1036 12.2398 k = 0.0000 0.0000 0.3231 ( 4955 PWs) bands (ev): -8.3720 -8.3635 -8.3439 -8.3317 -8.2673 -8.2109 -8.1956 -8.1772 -8.0232 -7.9392 -7.8748 -7.8183 -7.7771 -7.7673 -7.7416 -7.7321 -7.7203 -7.7042 -7.7004 -7.6887 -7.1556 -7.1396 -5.5258 -5.5195 -5.4400 -5.4307 -5.2408 -5.2289 -1.0106 -0.9123 -0.8281 -0.7861 -0.5799 -0.3695 0.4806 0.5630 0.6817 0.7371 0.8331 0.9408 0.9675 0.9941 2.3915 2.4225 2.7537 2.8347 2.9746 3.0435 3.5071 3.5556 3.7278 3.7432 4.6531 4.6974 4.7724 4.8499 5.1523 5.1890 5.6748 5.7032 6.0858 6.1093 9.1305 9.1611 9.9292 9.9531 10.6806 10.7020 11.0589 11.0658 11.9064 11.9255 12.0709 12.2070 k = 0.0000 0.0000 0.3433 ( 4965 PWs) bands (ev): -8.3730 -8.3638 -8.3430 -8.3304 -8.2693 -8.2122 -8.1963 -8.1781 -8.0241 -7.9359 -7.8790 -7.8189 -7.7765 -7.7668 -7.7431 -7.7335 -7.7202 -7.7039 -7.7003 -7.6885 -7.1261 -7.1104 -5.5480 -5.5415 -5.4522 -5.4425 -5.2456 -5.2336 -1.0023 -0.9116 -0.8278 -0.7822 -0.5648 -0.3673 0.4628 0.5484 0.6809 0.7343 0.8245 0.9307 0.9525 0.9797 2.3765 2.4095 2.7146 2.8242 3.0309 3.1204 3.5344 3.5802 3.7586 3.7789 4.6704 4.7158 4.7782 4.8346 5.1411 5.1749 5.6349 5.6619 6.0709 6.0949 9.2002 9.2323 9.9391 9.9611 10.6796 10.7020 11.0856 11.0879 11.9067 11.9190 12.0412 12.1743 k = 0.0000 0.0000 0.3635 ( 4961 PWs) bands (ev): -8.3739 -8.3641 -8.3421 -8.3291 -8.2712 -8.2136 -8.1969 -8.1790 -8.0247 -7.9326 -7.8833 -7.8195 -7.7760 -7.7662 -7.7445 -7.7350 -7.7201 -7.7037 -7.7001 -7.6882 -7.0954 -7.0800 -5.5708 -5.5642 -5.4645 -5.4544 -5.2508 -5.2389 -0.9940 -0.9114 -0.8274 -0.7799 -0.5463 -0.3652 0.4441 0.5329 0.6797 0.7305 0.8178 0.9155 0.9373 0.9717 2.3578 2.3926 2.6750 2.7982 3.1076 3.2055 3.5565 3.5959 3.7981 3.8204 4.6510 4.7291 4.7836 4.8407 5.1449 5.1748 5.5973 5.6217 6.0554 6.0798 9.2670 9.2998 9.9478 9.9674 10.6524 10.6750 11.1252 11.1349 11.9089 11.9143 12.0153 12.1433 k = 0.0000 0.0000 0.3837 ( 4949 PWs) bands (ev): -8.3748 -8.3644 -8.3411 -8.3278 -8.2729 -8.2151 -8.1978 -8.1798 -8.0251 -7.9293 -7.8875 -7.8201 -7.7754 -7.7657 -7.7458 -7.7364 -7.7199 -7.7036 -7.6998 -7.6880 -7.0636 -7.0485 -5.5943 -5.5876 -5.4767 -5.4664 -5.2566 -5.2447 -0.9859 -0.9114 -0.8269 -0.7790 -0.5248 -0.3629 0.4247 0.5163 0.6771 0.7269 0.8126 0.8950 0.9258 0.9671 2.3342 2.3687 2.6416 2.7699 3.1933 3.2956 3.5731 3.6043 3.8426 3.8649 4.6173 4.7053 4.8104 4.8722 5.1539 5.1809 5.5647 5.5851 6.0395 6.0642 9.3304 9.3630 9.9548 9.9715 10.6080 10.6316 11.1714 11.1910 11.9110 11.9148 11.9937 12.1152 k = 0.0000 0.0000 0.4039 ( 4957 PWs) bands (ev): -8.3757 -8.3647 -8.3402 -8.3265 -8.2745 -8.2167 -8.1987 -8.1806 -8.0253 -7.9260 -7.8917 -7.8207 -7.7750 -7.7653 -7.7471 -7.7379 -7.7198 -7.7037 -7.6995 -7.6878 -7.0307 -7.0160 -5.6182 -5.6114 -5.4887 -5.4782 -5.2630 -5.2510 -0.9782 -0.9117 -0.8261 -0.7793 -0.5009 -0.3603 0.4047 0.4983 0.6720 0.7253 0.8082 0.8731 0.9172 0.9643 2.3045 2.3353 2.6189 2.7445 3.2840 3.3884 3.5832 3.6060 3.8892 3.9107 4.5848 4.6701 4.8497 4.9099 5.1598 5.1865 5.5398 5.5550 6.0232 6.0481 9.3899 9.4214 9.9597 9.9732 10.5531 10.5792 11.2175 11.2470 11.9118 11.9229 11.9770 12.0908 k = 0.0000 0.0000 0.4241 ( 4955 PWs) bands (ev): -8.3764 -8.3650 -8.3393 -8.3252 -8.2759 -8.2183 -8.1998 -8.1814 -8.0253 -7.9228 -7.8959 -7.8215 -7.7745 -7.7649 -7.7484 -7.7393 -7.7196 -7.7038 -7.6991 -7.6876 -6.9968 -6.9825 -5.6427 -5.6358 -5.5006 -5.4899 -5.2698 -5.2579 -0.9709 -0.9121 -0.8252 -0.7806 -0.4751 -0.3570 0.3842 0.4789 0.6641 0.7263 0.8037 0.8525 0.9105 0.9626 2.2672 2.2931 2.6083 2.7249 3.3774 3.4818 3.5853 3.6017 3.9361 3.9566 4.5605 4.6406 4.8908 4.9484 5.1569 5.1863 5.5248 5.5358 6.0067 6.0317 9.4446 9.4738 9.9618 9.9723 10.4918 10.5224 11.2591 11.2983 11.9156 11.9351 11.9654 12.0708 k = 0.0000 0.0000 0.4443 ( 4963 PWs) bands (ev): -8.3772 -8.3654 -8.3384 -8.3240 -8.2771 -8.2199 -8.2011 -8.1823 -8.0250 -7.9196 -7.9000 -7.8222 -7.7741 -7.7646 -7.7496 -7.7407 -7.7193 -7.7041 -7.6986 -7.6875 -6.9620 -6.9480 -5.6677 -5.6606 -5.5122 -5.5014 -5.2771 -5.2652 -0.9643 -0.9126 -0.8243 -0.7825 -0.4478 -0.3529 0.3633 0.4582 0.6542 0.7298 0.7973 0.8352 0.9056 0.9617 2.2209 2.2455 2.6082 2.7122 3.4709 3.5629 3.5844 3.5960 3.9827 4.0025 4.5484 4.6218 4.9315 4.9860 5.1433 5.1772 5.5196 5.5312 5.9901 6.0151 9.4932 9.5189 9.9603 9.9689 10.4275 10.4643 11.2943 11.3424 11.9229 11.9491 11.9619 12.0559 k = 0.0000 0.0000 0.4645 ( 4967 PWs) bands (ev): -8.3779 -8.3657 -8.3375 -8.3228 -8.2782 -8.2216 -8.2024 -8.1832 -8.0245 -7.9167 -7.9039 -7.8231 -7.7737 -7.7643 -7.7508 -7.7420 -7.7191 -7.7044 -7.6980 -7.6874 -6.9264 -6.9127 -5.6931 -5.6858 -5.5235 -5.5126 -5.2848 -5.2731 -0.9584 -0.9132 -0.8235 -0.7848 -0.4195 -0.3475 0.3421 0.4365 0.6429 0.7349 0.7877 0.8234 0.9025 0.9615 2.1665 2.1956 2.6164 2.7068 3.5396 3.5703 3.5815 3.6689 4.0293 4.0492 4.5500 4.6155 4.9707 5.0213 5.1211 5.1589 5.5243 5.5397 5.9736 5.9985 9.5334 9.5544 9.9545 9.9637 10.3630 10.4080 11.3223 11.3785 11.9336 11.9531 11.9786 12.0467 k = 0.0000 0.0000 0.4847 ( 4967 PWs) bands (ev): -8.3785 -8.3661 -8.3366 -8.3216 -8.2790 -8.2232 -8.2037 -8.1842 -8.0237 -7.9148 -7.9067 -7.8240 -7.7734 -7.7640 -7.7519 -7.7433 -7.7188 -7.7047 -7.6974 -7.6872 -6.8900 -6.8767 -5.7188 -5.7114 -5.5344 -5.5235 -5.2929 -5.2813 -0.9532 -0.9138 -0.8231 -0.7874 -0.3909 -0.3404 0.3208 0.4139 0.6311 0.7407 0.7757 0.8167 0.9009 0.9617 2.1069 2.1433 2.6309 2.7082 3.5168 3.5503 3.6610 3.7514 4.0772 4.0985 4.5652 4.6211 5.0071 5.0522 5.0961 5.1347 5.5379 5.5567 5.9574 5.9823 9.5618 9.5771 9.9449 9.9571 10.3021 10.3564 11.3434 11.4065 11.9468 11.9571 12.0056 12.0442 k = 0.0000 0.0000 0.5049 ( 4975 PWs) bands (ev): -8.3790 -8.3666 -8.3357 -8.3205 -8.2797 -8.2249 -8.2051 -8.1852 -8.0227 -7.9159 -7.9066 -7.8251 -7.7731 -7.7639 -7.7529 -7.7445 -7.7185 -7.7050 -7.6969 -7.6872 -6.8529 -6.8400 -5.7450 -5.7374 -5.5449 -5.5340 -5.3014 -5.2900 -0.9487 -0.9145 -0.8232 -0.7900 -0.3627 -0.3310 0.2995 0.3908 0.6192 0.7450 0.7653 0.8132 0.9007 0.9625 2.0452 2.0888 2.6503 2.7157 3.4794 3.5191 3.7441 3.8243 4.1279 4.1528 4.5921 4.6368 5.0375 5.0615 5.0888 5.1123 5.5577 5.5787 5.9418 5.9666 9.5735 9.5832 9.9339 9.9491 10.2487 10.3126 11.3586 11.4274 11.9602 11.9666 12.0366 12.0508 k = 0.0000 0.0000 0.5251 ( 4973 PWs) bands (ev): -8.3795 -8.3670 -8.3348 -8.3195 -8.2801 -8.2266 -8.2064 -8.1863 -8.0215 -7.9192 -7.9042 -7.8262 -7.7727 -7.7637 -7.7539 -7.7457 -7.7182 -7.7054 -7.6963 -7.6871 -6.8153 -6.8027 -5.7715 -5.7637 -5.5549 -5.5441 -5.3101 -5.2989 -0.9449 -0.9152 -0.8240 -0.7926 -0.3375 -0.3169 0.2783 0.3676 0.6076 0.7414 0.7640 0.8119 0.9016 0.9637 1.9828 2.0325 2.6739 2.7286 3.4361 3.4817 3.8174 3.8842 4.1833 4.2136 4.6285 4.6599 5.0357 5.0638 5.0899 5.1206 5.5809 5.6033 5.9269 5.9518 9.5629 9.5700 9.9230 9.9404 10.2073 10.2792 11.3695 11.4426 11.9733 11.9800 12.0598 12.0790 k = 0.0000 0.0000 0.5453 ( 4983 PWs) bands (ev): -8.3799 -8.3676 -8.3339 -8.3186 -8.2803 -8.2284 -8.2077 -8.1874 -8.0200 -7.9232 -7.9012 -7.8274 -7.7725 -7.7637 -7.7549 -7.7469 -7.7179 -7.7058 -7.6957 -7.6871 -6.7772 -6.7650 -5.7984 -5.7905 -5.5643 -5.5537 -5.3191 -5.3081 -0.9416 -0.9159 -0.8257 -0.7951 -0.3191 -0.2945 0.2573 0.3446 0.5966 0.7318 0.7697 0.8124 0.9032 0.9652 1.9208 1.9751 2.7009 2.7460 3.3892 3.4400 3.8764 3.9296 4.2443 4.2792 4.6716 4.6891 5.0231 5.0527 5.1090 5.1425 5.6056 5.6287 5.9130 5.9382 9.5285 9.5358 9.9123 9.9301 10.1813 10.2578 11.3777 11.4538 11.9887 11.9929 12.0836 12.1204 k = 0.0000 0.0000 0.5655 ( 4983 PWs) bands (ev): -8.3802 -8.3681 -8.3330 -8.3178 -8.2803 -8.2303 -8.2088 -8.1887 -8.0183 -7.9273 -7.8980 -7.8287 -7.7722 -7.7637 -7.7557 -7.7479 -7.7175 -7.7062 -7.6952 -7.6870 -6.7387 -6.7268 -5.8257 -5.8176 -5.5731 -5.5627 -5.3281 -5.3175 -0.9389 -0.9165 -0.8281 -0.7978 -0.3038 -0.2680 0.2368 0.3219 0.5868 0.7219 0.7766 0.8150 0.9053 0.9672 1.8599 1.9174 2.7308 2.7674 3.3406 3.3961 3.9187 3.9609 4.3098 4.3453 4.7130 4.7308 5.0207 5.0427 5.1318 5.1628 5.6304 5.6537 5.9003 5.9261 9.4745 9.4809 9.8994 9.9162 10.1721 10.2488 11.3848 11.4627 12.0034 12.0077 12.1150 12.1664 k = 0.0000 0.0000 0.5857 ( 4974 PWs) bands (ev): -8.3804 -8.3687 -8.3321 -8.3171 -8.2800 -8.2322 -8.2098 -8.1900 -8.0163 -7.9314 -7.8947 -7.8301 -7.7719 -7.7637 -7.7564 -7.7489 -7.7171 -7.7066 -7.6946 -7.6870 -6.6999 -6.6883 -5.8534 -5.8452 -5.5812 -5.5712 -5.3372 -5.3269 -0.9367 -0.9171 -0.8311 -0.8005 -0.2881 -0.2411 0.2169 0.2998 0.5785 0.7125 0.7832 0.8201 0.9078 0.9695 1.8005 1.8598 2.7630 2.7921 3.2919 3.3519 3.9439 3.9785 4.3758 4.4067 4.7521 4.7879 5.0297 5.0416 5.1520 5.1814 5.6542 5.6773 5.8893 5.9158 9.4059 9.4098 9.8822 9.8967 10.1779 10.2508 11.3922 11.4708 12.0136 12.0281 12.1531 12.2154 k = 0.0000 0.0000 0.6059 ( 4970 PWs) bands (ev): -8.3806 -8.3693 -8.3312 -8.3166 -8.2795 -8.2342 -8.2106 -8.1913 -8.0142 -7.9356 -7.8914 -7.8317 -7.7716 -7.7639 -7.7569 -7.7498 -7.7168 -7.7070 -7.6940 -7.6870 -6.6609 -6.6496 -5.8815 -5.8731 -5.5887 -5.5791 -5.3461 -5.3363 -0.9349 -0.9176 -0.8345 -0.8036 -0.2712 -0.2153 0.1979 0.2785 0.5720 0.7039 0.7893 0.8275 0.9102 0.9721 1.7430 1.8029 2.7968 2.8197 3.2447 3.3093 3.9529 3.9830 4.4372 4.4604 4.7994 4.8537 5.0474 5.0497 5.1700 5.1993 5.6761 5.6988 5.8800 5.9074 9.3269 9.3281 9.8600 9.8717 10.1947 10.2613 11.4010 11.4792 12.0221 12.0504 12.1964 12.2648 k = 0.0000 0.0000 0.6261 ( 4970 PWs) bands (ev): -8.3807 -8.3700 -8.3303 -8.3163 -8.2787 -8.2363 -8.2112 -8.1927 -8.0119 -7.9398 -7.8881 -7.8334 -7.7714 -7.7642 -7.7573 -7.7507 -7.7164 -7.7075 -7.6935 -7.6871 -6.6218 -6.6108 -5.9100 -5.9015 -5.5955 -5.5864 -5.3548 -5.3455 -0.9334 -0.9180 -0.8381 -0.8071 -0.2532 -0.1910 0.1798 0.2580 0.5675 0.6959 0.7951 0.8369 0.9124 0.9751 1.6879 1.7473 2.8307 2.8500 3.2001 3.2699 3.9473 3.9750 4.4907 4.5064 4.8592 4.9249 5.0647 5.0678 5.1885 5.2187 5.6957 5.7173 5.8730 5.9009 9.2388 9.2431 9.8334 9.8425 10.2181 10.2775 11.4121 11.4888 12.0290 12.0739 12.2432 12.3072 k = 0.0000 0.0000 0.6463 ( 4966 PWs) bands (ev): -8.3807 -8.3707 -8.3293 -8.3161 -8.2777 -8.2385 -8.2116 -8.1942 -8.0093 -7.9440 -7.8848 -7.8352 -7.7711 -7.7645 -7.7576 -7.7515 -7.7160 -7.7079 -7.6929 -7.6872 -6.5828 -6.5720 -5.9390 -5.9304 -5.6016 -5.5930 -5.3632 -5.3545 -0.9322 -0.9182 -0.8416 -0.8109 -0.2342 -0.1688 0.1629 0.2383 0.5652 0.6883 0.8012 0.8479 0.9141 0.9784 1.6354 1.6932 2.8624 2.8829 3.1598 3.2359 3.9289 3.9556 4.5356 4.5481 4.9307 4.9946 5.0822 5.0875 5.2117 5.2421 5.7122 5.7322 5.8683 5.8962 9.1476 9.1557 9.8036 9.8107 10.2448 10.2968 11.4258 11.5001 12.0335 12.0978 12.2862 12.3292 k = 0.0000 0.0000 0.6665 ( 4966 PWs) bands (ev): -8.3806 -8.3715 -8.3284 -8.3160 -8.2764 -8.2408 -8.2118 -8.1957 -8.0067 -7.9482 -7.8815 -7.8371 -7.7709 -7.7649 -7.7578 -7.7523 -7.7155 -7.7084 -7.6924 -7.6873 -6.5439 -6.5334 -5.9684 -5.9597 -5.6070 -5.5990 -5.3711 -5.3630 -0.9313 -0.9184 -0.8449 -0.8150 -0.2144 -0.1489 0.1475 0.2195 0.5652 0.6810 0.8078 0.8600 0.9152 0.9820 1.5859 1.6413 2.8895 2.9167 3.1259 3.2096 3.9001 3.9266 4.5741 4.5881 5.0095 5.0430 5.0887 5.1274 5.2420 5.2712 5.7254 5.7431 5.8661 5.8932 9.0569 9.0682 9.7723 9.7777 10.2724 10.3173 11.4424 11.5132 12.0352 12.1214 12.2863 12.3618 k = 0.0000 0.0000 0.6867 ( 4972 PWs) bands (ev): -8.3804 -8.3722 -8.3274 -8.3162 -8.2750 -8.2431 -8.2118 -8.1972 -8.0038 -7.9524 -7.8783 -7.8392 -7.7706 -7.7654 -7.7579 -7.7530 -7.7151 -7.7088 -7.6919 -7.6874 -6.5052 -6.4950 -5.9983 -5.9896 -5.6117 -5.6044 -5.3783 -5.3711 -0.9304 -0.9187 -0.8477 -0.8194 -0.1944 -0.1315 0.1336 0.2016 0.5674 0.6739 0.8153 0.8729 0.9155 0.9857 1.5399 1.5921 2.9104 2.9462 3.1032 3.1937 3.8633 3.8900 4.6101 4.6270 5.0556 5.0810 5.0983 5.1920 5.2777 5.3063 5.7348 5.7500 5.8660 5.8913 8.9693 8.9830 9.7407 9.7449 10.2994 10.3376 11.4617 11.5280 12.0336 12.1424 12.2551 12.4077 k = 0.0000 0.0000 0.7069 ( 4976 PWs) bands (ev): -8.3802 -8.3730 -8.3264 -8.3165 -8.2733 -8.2456 -8.2116 -8.1987 -8.0008 -7.9565 -7.8751 -7.8414 -7.7704 -7.7659 -7.7578 -7.7536 -7.7147 -7.7093 -7.6914 -7.6876 -6.4670 -6.4570 -6.0286 -6.0199 -5.6156 -5.6091 -5.3849 -5.3784 -0.9297 -0.9190 -0.8500 -0.8240 -0.1746 -0.1169 0.1217 0.1844 0.5717 0.6669 0.8236 0.8863 0.9150 0.9893 1.4979 1.5462 2.9231 2.9623 3.0997 3.1906 3.8210 3.8480 4.6456 4.6649 5.0528 5.0731 5.1771 5.2611 5.3156 5.3462 5.7404 5.7535 5.8673 5.8901 8.8873 8.9023 9.7103 9.7134 10.3246 10.3566 11.4834 11.5441 12.0286 12.1531 12.2266 12.4294 k = 0.0000 0.0000 0.7271 ( 4972 PWs) bands (ev): -8.3799 -8.3737 -8.3254 -8.3169 -8.2715 -8.2480 -8.2112 -8.2002 -7.9976 -7.9605 -7.8719 -7.8437 -7.7701 -7.7664 -7.7577 -7.7542 -7.7143 -7.7097 -7.6910 -7.6877 -6.4294 -6.4197 -6.0593 -6.0506 -5.6187 -5.6132 -5.3905 -5.3850 -0.9289 -0.9194 -0.8516 -0.8285 -0.1554 -0.1050 0.1119 0.1681 0.5778 0.6598 0.8327 0.8991 0.9146 0.9922 1.4608 1.5041 2.9275 2.9607 3.1193 3.2004 3.7758 3.8029 4.6812 4.7020 5.0402 5.0576 5.2548 5.3233 5.3532 5.3890 5.7423 5.7545 5.8689 5.8889 8.8132 8.8285 9.6822 9.6846 10.3474 10.3735 11.5068 11.5608 12.0206 12.1361 12.2245 12.4197 k = 0.0000 0.0000 0.7473 ( 4976 PWs) bands (ev): -8.3795 -8.3745 -8.3244 -8.3174 -8.2695 -8.2505 -8.2107 -8.2017 -7.9944 -7.9646 -7.8688 -7.8461 -7.7698 -7.7669 -7.7576 -7.7548 -7.7138 -7.7102 -7.6906 -7.6879 -6.3926 -6.3833 -6.0901 -6.0815 -5.6212 -5.6167 -5.3952 -5.3907 -0.9281 -0.9200 -0.8525 -0.8330 -0.1375 -0.0960 0.1046 0.1527 0.5852 0.6525 0.8425 0.9047 0.9207 0.9939 1.4293 1.4667 2.9256 2.9495 3.1530 3.2198 3.7305 3.7568 4.7165 4.7379 5.0218 5.0384 5.3253 5.3745 5.3883 5.4325 5.7416 5.7537 5.8702 5.8873 8.7494 8.7636 9.6576 9.6594 10.3672 10.3876 11.5310 11.5770 12.0108 12.1015 12.2413 12.4019 k = 0.0000 0.0000 0.7675 ( 4980 PWs) bands (ev): -8.3791 -8.3753 -8.3234 -8.3181 -8.2674 -8.2530 -8.2100 -8.2031 -7.9910 -7.9686 -7.8657 -7.8486 -7.7696 -7.7673 -7.7574 -7.7553 -7.7134 -7.7107 -7.6901 -7.6882 -6.3573 -6.3484 -6.1205 -6.1122 -5.6230 -5.6195 -5.3988 -5.3954 -0.9272 -0.9208 -0.8525 -0.8373 -0.1214 -0.0899 0.1002 0.1384 0.5935 0.6449 0.8525 0.9019 0.9341 0.9935 1.4046 1.4348 2.9210 2.9367 3.1913 3.2436 3.6880 3.7123 4.7508 4.7715 5.0003 5.0166 5.3844 5.4152 5.4189 5.4713 5.7399 5.7516 5.8709 5.8848 8.6978 8.7098 9.6374 9.6387 10.3834 10.3985 11.5547 11.5912 12.0008 12.0659 12.2624 12.3832 k = 0.0000 0.0000 0.7877 ( 4978 PWs) bands (ev): -8.3786 -8.3760 -8.3224 -8.3188 -8.2652 -8.2555 -8.2091 -8.2045 -7.9875 -7.9725 -7.8626 -7.8513 -7.7692 -7.7678 -7.7571 -7.7557 -7.7129 -7.7111 -7.6898 -7.6884 -6.3243 -6.3164 -6.1493 -6.1417 -5.6240 -5.6217 -5.4013 -5.3990 -0.9262 -0.9218 -0.8517 -0.8412 -0.1079 -0.0868 0.0989 0.1256 0.6023 0.6370 0.8626 0.8965 0.9486 0.9904 1.3878 1.4092 2.9164 2.9258 3.2283 3.2656 3.6529 3.6726 4.7826 4.8006 4.9791 4.9940 5.4257 5.4412 5.4531 5.4990 5.7387 5.7485 5.8713 5.8814 8.6603 8.6689 9.6225 9.6233 10.3959 10.4059 11.5759 11.6015 11.9933 12.0348 12.2841 12.3644 k = 0.0000 0.0000 0.8079 ( 4986 PWs) bands (ev): -8.3780 -8.3767 -8.3215 -8.3197 -8.2629 -8.2580 -8.2081 -8.2058 -7.9839 -7.9764 -7.8597 -7.8540 -7.7689 -7.7682 -7.7569 -7.7562 -7.7125 -7.7116 -7.6894 -7.6887 -6.2966 -6.2911 -6.1727 -6.1673 -5.6244 -5.6232 -5.4026 -5.4014 -0.9251 -0.9228 -0.8501 -0.8447 -0.0975 -0.0869 0.1009 0.1147 0.6113 0.6288 0.8724 0.8895 0.9625 0.9841 1.3798 1.3910 2.9138 2.9181 3.2588 3.2787 3.6308 3.6423 4.8088 4.8204 4.9635 4.9734 5.4483 5.4548 5.4857 5.5112 5.7393 5.7451 5.8722 5.8776 8.6382 8.6427 9.6133 9.6137 10.4045 10.4094 11.5927 11.6059 11.9909 12.0111 12.3053 12.3453 k = 0.0000 0.0000 0.8281 ( 4992 PWs) bands (ev): -8.3774 -8.3774 -8.3205 -8.3205 -8.2605 -8.2605 -8.2070 -8.2070 -7.9802 -7.9802 -7.8568 -7.8568 -7.7686 -7.7686 -7.7565 -7.7565 -7.7120 -7.7120 -7.6891 -7.6891 -6.2823 -6.2823 -6.1809 -6.1809 -5.6242 -5.6242 -5.4026 -5.4026 -0.9240 -0.9240 -0.8477 -0.8477 -0.0904 -0.0904 0.1063 0.1063 0.6202 0.6202 0.8814 0.8814 0.9746 0.9746 1.3809 1.3809 2.9141 2.9141 3.2769 3.2769 3.6269 3.6269 4.8237 4.8237 4.9611 4.9611 5.4574 5.4574 5.5063 5.5063 5.7417 5.7417 5.8743 5.8743 8.6323 8.6323 9.6104 9.6104 10.4090 10.4090 11.6031 11.6031 11.9964 11.9964 12.3257 12.3257 k = 0.0000 0.0000 0.8281 ( 4992 PWs) bands (ev): -8.3774 -8.3774 -8.3205 -8.3205 -8.2605 -8.2605 -8.2070 -8.2070 -7.9802 -7.9802 -7.8568 -7.8568 -7.7686 -7.7686 -7.7565 -7.7565 -7.7120 -7.7120 -7.6891 -7.6891 -6.2823 -6.2823 -6.1809 -6.1809 -5.6242 -5.6242 -5.4026 -5.4026 -0.9240 -0.9240 -0.8477 -0.8477 -0.0904 -0.0904 0.1063 0.1063 0.6202 0.6202 0.8814 0.8814 0.9746 0.9746 1.3809 1.3809 2.9141 2.9141 3.2769 3.2769 3.6269 3.6269 4.8237 4.8237 4.9611 4.9611 5.4574 5.4574 5.5063 5.5063 5.7417 5.7417 5.8743 5.8743 8.6323 8.6323 9.6104 9.6104 10.4090 10.4090 11.6031 11.6031 11.9964 11.9964 12.3257 12.3257 k =-0.0120 0.0158 0.8281 ( 4976 PWs) bands (ev): -8.3782 -8.3765 -8.3218 -8.3192 -8.2611 -8.2601 -8.2081 -8.2058 -7.9805 -7.9797 -7.8581 -7.8555 -7.7689 -7.7682 -7.7577 -7.7552 -7.7124 -7.7117 -7.6892 -7.6889 -6.2829 -6.2812 -6.1820 -6.1805 -5.6247 -5.6235 -5.4032 -5.4027 -0.9291 -0.9193 -0.8604 -0.8371 -0.0998 -0.0789 0.1006 0.1152 0.6096 0.6329 0.8790 0.8855 0.9717 0.9781 1.3787 1.3840 2.9124 2.9163 3.2759 3.2779 3.6265 3.6280 4.8210 4.8222 4.9522 4.9635 5.4539 5.4595 5.5027 5.5094 5.7353 5.7405 5.8696 5.8815 8.6343 8.6363 9.6123 9.6130 10.4095 10.4130 11.6046 11.6056 11.9951 11.9977 12.3239 12.3261 k =-0.0239 0.0316 0.8281 ( 4968 PWs) bands (ev): -8.3790 -8.3755 -8.3229 -8.3178 -8.2619 -8.2599 -8.2091 -8.2045 -7.9807 -7.9791 -7.8595 -7.8543 -7.7693 -7.7678 -7.7588 -7.7539 -7.7127 -7.7113 -7.6893 -7.6888 -6.2832 -6.2798 -6.1838 -6.1809 -5.6250 -5.6227 -5.4045 -5.4035 -0.9347 -0.9151 -0.8750 -0.8289 -0.1074 -0.0650 0.0987 0.1265 0.6016 0.6472 0.8780 0.8912 0.9694 0.9821 1.3773 1.3880 2.9110 2.9188 3.2748 3.2788 3.6268 3.6298 4.8144 4.8167 4.9369 4.9596 5.4491 5.4600 5.4986 5.5118 5.7226 5.7314 5.8677 5.8895 8.6421 8.6463 9.6186 9.6199 10.4146 10.4213 11.6100 11.6120 11.9941 11.9988 12.3204 12.3246 k =-0.0359 0.0473 0.8281 ( 4984 PWs) bands (ev): -8.3797 -8.3745 -8.3240 -8.3163 -8.2630 -8.2601 -8.2099 -8.2032 -7.9809 -7.9785 -7.8609 -7.8532 -7.7698 -7.7675 -7.7598 -7.7525 -7.7130 -7.7110 -7.6896 -7.6888 -6.2831 -6.2780 -6.1863 -6.1820 -5.6252 -5.6218 -5.4065 -5.4050 -0.9405 -0.9116 -0.8909 -0.8231 -0.1137 -0.0489 0.1010 0.1399 0.5966 0.6626 0.8785 0.8990 0.9676 0.9868 1.3768 1.3927 2.9100 2.9215 3.2737 3.2797 3.6278 3.6321 4.8039 4.8073 4.9153 4.9495 5.4430 5.4586 5.4945 5.5133 5.7053 5.7159 5.8677 5.8969 8.6557 8.6620 9.6292 9.6313 10.4236 10.4331 11.6188 11.6218 11.9937 11.9995 12.3141 12.3200 k =-0.0478 0.0631 0.8281 ( 4982 PWs) bands (ev): -8.3802 -8.3733 -8.3250 -8.3148 -8.2643 -8.2605 -8.2107 -8.2017 -7.9809 -7.9778 -7.8623 -7.8522 -7.7703 -7.7672 -7.7607 -7.7511 -7.7133 -7.7106 -7.6898 -7.6888 -6.2826 -6.2758 -6.1895 -6.1839 -5.6252 -5.6207 -5.4092 -5.4072 -0.9468 -0.9088 -0.9077 -0.8196 -0.1192 -0.0308 0.1074 0.1547 0.5948 0.6783 0.8805 0.9094 0.9666 0.9922 1.3771 1.3982 2.9094 2.9246 3.2727 3.2805 3.6294 3.6351 4.7898 4.7941 4.8875 4.9332 5.4357 5.4552 5.4906 5.5140 5.6849 5.6959 5.8682 5.9026 8.6749 8.6834 9.6439 9.6467 10.4357 10.4475 11.6299 11.6344 11.9937 12.0003 12.3028 12.3103 k =-0.0598 0.0789 0.8281 ( 4986 PWs) bands (ev): -8.3808 -8.3722 -8.3258 -8.3132 -8.2657 -8.2612 -8.2112 -8.2003 -7.9809 -7.9770 -7.8638 -7.8513 -7.7708 -7.7668 -7.7614 -7.7497 -7.7135 -7.7103 -7.6900 -7.6888 -6.2819 -6.2734 -6.1934 -6.1865 -5.6249 -5.6194 -5.4124 -5.4100 -0.9535 -0.9247 -0.9069 -0.8180 -0.1244 -0.0110 0.1175 0.1708 0.5965 0.6937 0.8841 0.9227 0.9664 0.9985 1.3782 1.4045 2.9093 2.9279 3.2718 3.2813 3.6317 3.6385 4.7724 4.7775 4.8541 4.9109 5.4272 5.4496 5.4868 5.5137 5.6623 5.6733 5.8679 5.9057 8.6993 8.7101 9.6624 9.6661 10.4497 10.4632 11.6416 11.6487 11.9928 12.0029 12.2828 12.2929 k =-0.0717 0.0947 0.8281 ( 4976 PWs) bands (ev): -8.3812 -8.3710 -8.3265 -8.3116 -8.2672 -8.2621 -8.2117 -8.1989 -7.9807 -7.9761 -7.8652 -7.8505 -7.7713 -7.7665 -7.7619 -7.7483 -7.7138 -7.7099 -7.6903 -7.6888 -6.2810 -6.2707 -6.1979 -6.1900 -5.6243 -5.6178 -5.4162 -5.4132 -0.9614 -0.9408 -0.9060 -0.8179 -0.1293 0.0100 0.1302 0.1882 0.6018 0.7080 0.8894 0.9393 0.9673 1.0058 1.3802 1.4114 2.9097 2.9316 3.2710 3.2822 3.6346 3.6424 4.7519 4.7577 4.8159 4.8831 5.4174 5.4421 5.4833 5.5122 5.6382 5.6495 5.8663 5.9061 8.7287 8.7417 9.6844 9.6889 10.4641 10.4789 11.6512 11.6628 11.9903 12.0090 12.2496 12.2643 k =-0.0837 0.1105 0.8281 ( 4978 PWs) bands (ev): -8.3815 -8.3697 -8.3271 -8.3100 -8.2688 -8.2632 -8.2121 -8.1975 -7.9804 -7.9752 -7.8666 -7.8498 -7.7719 -7.7662 -7.7623 -7.7469 -7.7140 -7.7095 -7.6906 -7.6888 -6.2800 -6.2679 -6.2030 -6.1943 -5.6232 -5.6159 -5.4204 -5.4169 -0.9716 -0.9543 -0.9061 -0.8190 -0.1341 0.0315 0.1443 0.2070 0.6107 0.7207 0.8965 0.9578 0.9712 1.0144 1.3830 1.4188 2.9107 2.9355 3.2705 3.2831 3.6379 3.6467 4.7276 4.7349 4.7748 4.8499 5.4065 5.4328 5.4795 5.5096 5.6133 5.6257 5.8629 5.9036 8.7626 8.7778 9.7094 9.7149 10.4772 10.4932 11.6550 11.6736 11.9873 12.0194 12.2006 12.2218 k =-0.0956 0.1263 0.8281 ( 4972 PWs) bands (ev): -8.3817 -8.3684 -8.3276 -8.3083 -8.2705 -8.2645 -8.2123 -8.1961 -7.9800 -7.9742 -7.8681 -7.8492 -7.7724 -7.7659 -7.7626 -7.7455 -7.7141 -7.7092 -7.6909 -7.6889 -6.2790 -6.2651 -6.2086 -6.1994 -5.6217 -5.6136 -5.4249 -5.4210 -0.9851 -0.9640 -0.9074 -0.8208 -0.1387 0.0528 0.1588 0.2271 0.6228 0.7315 0.9058 0.9677 0.9883 1.0249 1.3868 1.4267 2.9123 2.9397 3.2702 3.2841 3.6418 3.6513 4.6955 4.7101 4.7354 4.8120 5.3943 5.4220 5.4754 5.5057 5.5877 5.6029 5.8579 5.8984 8.8006 8.8181 9.7369 9.7435 10.4874 10.5047 11.6484 11.6763 11.9862 12.0347 12.1367 12.1661 k =-0.1076 0.1420 0.8281 ( 4970 PWs) bands (ev): -8.3819 -8.3671 -8.3280 -8.3067 -8.2722 -8.2660 -8.2126 -8.1948 -7.9795 -7.9731 -7.8695 -7.8489 -7.7730 -7.7656 -7.7626 -7.7442 -7.7143 -7.7088 -7.6913 -7.6889 -6.2782 -6.2625 -6.2146 -6.2052 -5.6196 -5.6109 -5.4296 -5.4252 -1.0000 -0.9716 -0.9097 -0.8229 -0.1429 0.0726 0.1736 0.2482 0.6375 0.7405 0.9174 0.9722 1.0139 1.0386 1.3919 1.4350 2.9146 2.9443 3.2704 3.2853 3.6459 3.6560 4.6517 4.6844 4.7023 4.7701 5.3810 5.4099 5.4703 5.5003 5.5620 5.5819 5.8510 5.8906 8.8423 8.8619 9.7663 9.7741 10.4936 10.5123 11.6274 11.6651 11.9874 12.0467 12.0710 12.1027 k =-0.1195 0.1578 0.8281 ( 4966 PWs) bands (ev): -8.3819 -8.3658 -8.3282 -8.3051 -8.2740 -8.2677 -8.2127 -8.1936 -7.9789 -7.9719 -7.8709 -7.8486 -7.7734 -7.7653 -7.7626 -7.7429 -7.7144 -7.7084 -7.6916 -7.6890 -6.2779 -6.2602 -6.2206 -6.2118 -5.6169 -5.6078 -5.4343 -5.4295 -1.0146 -0.9785 -0.9131 -0.8250 -0.1468 0.0898 0.1892 0.2696 0.6539 0.7477 0.9317 0.9773 1.0386 1.0591 1.3985 1.4436 2.9178 2.9494 3.2711 3.2868 3.6504 3.6609 4.5996 4.6577 4.6734 4.7253 5.3664 5.3965 5.4640 5.4934 5.5366 5.5633 5.8426 5.8804 8.8872 8.9089 9.7969 9.8059 10.4949 10.5150 11.5901 11.6360 11.9554 12.0018 12.0400 12.0938 k =-0.1315 0.1736 0.8281 ( 4966 PWs) bands (ev): -8.3819 -8.3645 -8.3282 -8.3037 -8.2757 -8.2694 -8.2129 -8.1924 -7.9782 -7.9707 -7.8723 -7.8486 -7.7738 -7.7650 -7.7624 -7.7417 -7.7145 -7.7080 -7.6921 -7.6892 -6.2783 -6.2588 -6.2264 -6.2189 -5.6136 -5.6040 -5.4390 -5.4338 -1.0285 -0.9850 -0.9173 -0.8270 -0.1503 0.1031 0.2065 0.2904 0.6709 0.7535 0.9483 0.9836 1.0597 1.0878 1.4073 1.4524 2.9218 2.9550 3.2724 3.2887 3.6550 3.6658 4.5438 4.6293 4.6457 4.6796 5.3507 5.3820 5.4556 5.4852 5.5118 5.5476 5.8328 5.8683 8.9349 8.9585 9.8280 9.8383 10.4910 10.5123 11.5374 11.5886 11.8705 11.9301 12.0495 12.1266 k =-0.1435 0.1894 0.8281 ( 4970 PWs) bands (ev): -8.3818 -8.3632 -8.3281 -8.3023 -8.2774 -8.2711 -8.2132 -8.1914 -7.9774 -7.9694 -7.8737 -7.8487 -7.7742 -7.7648 -7.7622 -7.7405 -7.7145 -7.7077 -7.6925 -7.6893 -6.2799 -6.2586 -6.2312 -6.2264 -5.6095 -5.5997 -5.4435 -5.4379 -1.0412 -0.9914 -0.9221 -0.8288 -0.1533 0.1121 0.2258 0.3096 0.6875 0.7580 0.9662 0.9917 1.0822 1.1195 1.4189 1.4615 2.9270 2.9613 3.2744 3.2910 3.6596 3.6706 4.4862 4.5957 4.6185 4.6377 5.3337 5.3665 5.4446 5.4757 5.4888 5.5346 5.8218 5.8544 8.9849 9.0101 9.8587 9.8702 10.4818 10.5041 11.4721 11.5262 11.7764 11.8439 12.0793 12.1635 k =-0.1435 0.1894 0.8281 ( 4970 PWs) bands (ev): -8.3818 -8.3632 -8.3281 -8.3023 -8.2774 -8.2711 -8.2132 -8.1914 -7.9774 -7.9694 -7.8737 -7.8487 -7.7742 -7.7648 -7.7622 -7.7405 -7.7145 -7.7077 -7.6925 -7.6893 -6.2799 -6.2586 -6.2312 -6.2264 -5.6095 -5.5997 -5.4435 -5.4379 -1.0412 -0.9914 -0.9221 -0.8288 -0.1533 0.1121 0.2258 0.3096 0.6875 0.7580 0.9662 0.9917 1.0822 1.1195 1.4189 1.4615 2.9270 2.9613 3.2744 3.2910 3.6596 3.6706 4.4862 4.5957 4.6185 4.6377 5.3337 5.3665 5.4446 5.4757 5.4888 5.5346 5.8218 5.8544 8.9849 9.0101 9.8587 9.8702 10.4818 10.5041 11.4721 11.5262 11.7764 11.8439 12.0793 12.1635 k =-0.1519 0.2006 0.8140 ( 4960 PWs) bands (ev): -8.3815 -8.3626 -8.3280 -8.3008 -8.2772 -8.2739 -8.2139 -8.1901 -7.9762 -7.9693 -7.8747 -7.8482 -7.7745 -7.7646 -7.7618 -7.7402 -7.7146 -7.7073 -7.6927 -7.6894 -6.2695 -6.2543 -6.2534 -6.2347 -5.5974 -5.5882 -5.4522 -5.4469 -1.0490 -0.9948 -0.9249 -0.8332 -0.1591 0.1203 0.2319 0.3318 0.6976 0.7543 1.0021 1.0078 1.1079 1.1430 1.4144 1.4455 2.9319 2.9677 3.2716 3.2907 3.6638 3.6745 4.4432 4.5536 4.6127 4.6364 5.3132 5.3518 5.4081 5.4478 5.5076 5.5540 5.8020 5.8324 9.0225 9.0485 9.8857 9.8980 10.4693 10.4918 11.4060 11.4577 11.7484 11.8138 12.0801 12.1647 k =-0.1604 0.2118 0.7999 ( 4958 PWs) bands (ev): -8.3812 -8.3620 -8.3280 -8.2993 -8.2775 -8.2761 -8.2147 -8.1889 -7.9763 -7.9677 -7.8759 -7.8477 -7.7748 -7.7644 -7.7613 -7.7400 -7.7146 -7.7069 -7.6929 -7.6895 -6.2796 -6.2767 -6.2487 -6.2250 -5.5843 -5.5759 -5.4607 -5.4554 -1.0562 -0.9979 -0.9273 -0.8377 -0.1642 0.1252 0.2393 0.3516 0.7076 0.7490 1.0246 1.0411 1.1297 1.1705 1.4144 1.4324 2.9386 2.9758 3.2616 3.2848 3.6728 3.6860 4.4000 4.5128 4.6093 4.6338 5.2790 5.3161 5.3809 5.4161 5.5315 5.5787 5.7816 5.8097 9.0661 9.0930 9.9147 9.9277 10.4536 10.4758 11.3333 11.3823 11.7198 11.7830 12.0844 12.1676 k =-0.1689 0.2230 0.7859 ( 4954 PWs) bands (ev): -8.3808 -8.3614 -8.3279 -8.2980 -8.2795 -8.2765 -8.2154 -8.1877 -7.9773 -7.9653 -7.8771 -7.8473 -7.7750 -7.7642 -7.7608 -7.7399 -7.7146 -7.7065 -7.6932 -7.6896 -6.2990 -6.2982 -6.2386 -6.2138 -5.5706 -5.5635 -5.4687 -5.4626 -1.0628 -1.0008 -0.9293 -0.8424 -0.1686 0.1268 0.2479 0.3689 0.7153 0.7444 1.0419 1.0812 1.1482 1.2013 1.4138 1.4294 2.9469 2.9852 3.2463 3.2736 3.6856 3.7024 4.3588 4.4742 4.6066 4.6299 5.2316 5.2657 5.3607 5.3873 5.5548 5.6033 5.7615 5.7877 9.1151 9.1428 9.9451 9.9587 10.4350 10.4568 11.2562 11.3023 11.6913 11.7526 12.0910 12.1716 k =-0.1774 0.2342 0.7718 ( 4954 PWs) bands (ev): -8.3804 -8.3608 -8.3278 -8.2969 -8.2816 -8.2764 -8.2161 -8.1866 -7.9785 -7.9626 -7.8783 -7.8470 -7.7752 -7.7639 -7.7602 -7.7398 -7.7146 -7.7062 -7.6935 -7.6896 -6.3198 -6.3183 -6.2291 -6.2036 -5.5577 -5.5516 -5.4759 -5.4675 -1.0687 -1.0036 -0.9308 -0.8474 -0.1721 0.1254 0.2574 0.3838 0.7167 0.7448 1.0585 1.1170 1.1690 1.2333 1.4084 1.4422 2.9566 2.9960 3.2277 3.2582 3.7004 3.7213 4.3215 4.4383 4.6036 4.6246 5.1751 5.2100 5.3389 5.3589 5.5768 5.6265 5.7425 5.7682 9.1687 9.1971 9.9762 9.9903 10.4143 10.4354 11.1768 11.2200 11.6638 11.7232 12.0987 12.1757 k =-0.1859 0.2454 0.7578 ( 4956 PWs) bands (ev): -8.3799 -8.3603 -8.3277 -8.2963 -8.2833 -8.2762 -8.2168 -8.1856 -7.9797 -7.9597 -7.8795 -7.8467 -7.7754 -7.7635 -7.7596 -7.7397 -7.7145 -7.7058 -7.6938 -7.6898 -6.3402 -6.3376 -6.2206 -6.1946 -5.5483 -5.5410 -5.4809 -5.4683 -1.0739 -1.0064 -0.9317 -0.8524 -0.1748 0.1216 0.2674 0.3962 0.7107 0.7514 1.0728 1.1396 1.2021 1.2645 1.4072 1.4638 2.9675 3.0079 3.2073 3.2399 3.7149 3.7409 4.2895 4.4059 4.5998 4.6174 5.1137 5.1519 5.3124 5.3284 5.5972 5.6470 5.7254 5.7534 9.2260 9.2547 10.0073 10.0217 10.3919 10.4123 11.0968 11.1375 11.6379 11.6955 12.1070 12.1793 k =-0.1944 0.2566 0.7437 ( 4960 PWs) bands (ev): -8.3794 -8.3597 -8.3275 -8.2965 -8.2841 -8.2759 -8.2175 -8.1846 -7.9810 -7.9568 -7.8807 -7.8466 -7.7756 -7.7631 -7.7590 -7.7397 -7.7144 -7.7055 -7.6941 -7.6899 -6.3597 -6.3562 -6.2131 -6.1868 -5.5443 -5.5340 -5.4808 -5.4639 -1.0785 -1.0091 -0.9322 -0.8576 -0.1765 0.1161 0.2771 0.4065 0.7018 0.7600 1.0831 1.1506 1.2459 1.2936 1.4137 1.4918 2.9794 3.0207 3.1863 3.2199 3.7267 3.7596 4.2642 4.3776 4.5947 4.6081 5.0505 5.0926 5.2804 5.2946 5.6153 5.6634 5.7112 5.7457 9.2863 9.3149 10.0374 10.0518 10.3685 10.3881 11.0181 11.0569 11.6138 11.6698 12.1151 12.1817 k =-0.2029 0.2678 0.7296 ( 4961 PWs) bands (ev): -8.3789 -8.3592 -8.3274 -8.2975 -8.2841 -8.2757 -8.2181 -8.1837 -7.9822 -7.9538 -7.8818 -7.8467 -7.7758 -7.7628 -7.7583 -7.7397 -7.7143 -7.7052 -7.6945 -7.6900 -6.3784 -6.3739 -6.2065 -6.1799 -5.5454 -5.5335 -5.4734 -5.4543 -1.0824 -1.0118 -0.9322 -0.8627 -0.1773 0.1094 0.2861 0.4147 0.6921 0.7688 1.0884 1.1564 1.2931 1.3213 1.4296 1.5246 2.9922 3.0341 3.1658 3.1995 3.7335 3.7762 4.2466 4.3541 4.5869 4.5965 4.9877 5.0334 5.2432 5.2573 5.6302 5.6729 5.7025 5.7466 9.3486 9.3767 10.0653 10.0795 10.3449 10.3635 10.9427 10.9799 11.5921 11.6463 12.1228 12.1831 k =-0.2114 0.2790 0.7156 ( 4953 PWs) bands (ev): -8.3783 -8.3587 -8.3273 -8.2992 -8.2834 -8.2753 -8.2187 -8.1829 -7.9833 -7.9509 -7.8830 -7.8468 -7.7759 -7.7624 -7.7576 -7.7397 -7.7140 -7.7049 -7.6948 -7.6901 -6.3961 -6.3906 -6.2008 -6.1740 -5.5500 -5.5382 -5.4605 -5.4412 -1.0857 -1.0146 -0.9320 -0.8677 -0.1772 0.1020 0.2939 0.4211 0.6825 0.7771 1.0890 1.1585 1.3366 1.3533 1.4542 1.5603 3.0056 3.0475 3.1471 3.1796 3.7340 3.7895 4.2374 4.3361 4.5738 4.5832 4.9274 4.9755 5.2018 5.2170 5.6406 5.6734 5.7035 5.7552 9.4120 9.4390 10.0896 10.1030 10.3221 10.3395 10.8722 10.9083 11.5727 11.6250 12.1297 12.1835 k =-0.2199 0.2902 0.7015 ( 4949 PWs) bands (ev): -8.3777 -8.3582 -8.3271 -8.3012 -8.2824 -8.2750 -8.2192 -8.1822 -7.9845 -7.9480 -7.8840 -7.8471 -7.7760 -7.7620 -7.7568 -7.7398 -7.7137 -7.7047 -7.6952 -7.6903 -6.4129 -6.4064 -6.1957 -6.1688 -5.5564 -5.5454 -5.4449 -5.4263 -1.0883 -1.0175 -0.9318 -0.8721 -0.1763 0.0943 0.3001 0.4260 0.6738 0.7847 1.0860 1.1570 1.3691 1.3976 1.4854 1.5975 3.0189 3.0599 3.1318 3.1615 3.7280 3.7981 4.2365 4.3242 4.5523 4.5682 4.8718 4.9204 5.1577 5.1743 5.6460 5.6698 5.7121 5.7686 9.4756 9.5009 10.1082 10.1201 10.3016 10.3175 10.8085 10.8439 11.5558 11.6059 12.1358 12.1834 k =-0.2283 0.3014 0.6875 ( 4949 PWs) bands (ev): -8.3770 -8.3577 -8.3270 -8.3033 -8.2813 -8.2745 -8.2197 -8.1816 -7.9855 -7.9451 -7.8851 -7.8474 -7.7761 -7.7617 -7.7560 -7.7398 -7.7134 -7.7045 -7.6955 -7.6905 -6.4286 -6.4211 -6.1912 -6.1643 -5.5638 -5.5537 -5.4285 -5.4106 -1.0902 -1.0204 -0.9320 -0.8756 -0.1747 0.0867 0.3044 0.4294 0.6663 0.7915 1.0806 1.1520 1.4005 1.4445 1.5209 1.6348 3.0309 3.0694 3.1220 3.1478 3.7159 3.8013 4.2429 4.3188 4.5224 4.5485 4.8229 4.8699 5.1123 5.1303 5.6475 5.6670 5.7243 5.7839 9.5382 9.5614 10.1180 10.1276 10.2861 10.2999 10.7532 10.7880 11.5413 11.5887 12.1409 12.1832 k =-0.2368 0.3127 0.6734 ( 4954 PWs) bands (ev): -8.3764 -8.3573 -8.3269 -8.3055 -8.2803 -8.2740 -8.2201 -8.1811 -7.9865 -7.9423 -7.8861 -7.8479 -7.7762 -7.7613 -7.7552 -7.7398 -7.7131 -7.7043 -7.6959 -7.6907 -6.4432 -6.4348 -6.1871 -6.1603 -5.5716 -5.5622 -5.4121 -5.3948 -1.0916 -1.0234 -0.9331 -0.8777 -0.1727 0.0795 0.3067 0.4315 0.6605 0.7975 1.0737 1.1443 1.4340 1.4899 1.5588 1.6708 3.0389 3.0751 3.1172 3.1441 3.6989 3.7986 4.2552 4.3197 4.4838 4.5214 4.7824 4.8257 5.0671 5.0863 5.6468 5.6661 5.7381 5.7998 9.5990 9.6194 10.1158 10.1228 10.2781 10.2892 10.7078 10.7417 11.5292 11.5732 12.1450 12.1834 k =-0.2453 0.3239 0.6593 ( 4948 PWs) bands (ev): -8.3757 -8.3568 -8.3268 -8.3076 -8.2793 -8.2734 -8.2204 -8.1806 -7.9874 -7.9395 -7.8871 -7.8485 -7.7762 -7.7611 -7.7544 -7.7397 -7.7127 -7.7042 -7.6963 -7.6908 -6.4567 -6.4472 -6.1834 -6.1567 -5.5795 -5.5709 -5.3961 -5.3794 -1.0924 -1.0263 -0.9354 -0.8782 -0.1703 0.0730 0.3067 0.4324 0.6567 0.8027 1.0659 1.1346 1.4694 1.5329 1.5978 1.7045 3.0404 3.0782 3.1167 3.1533 3.6783 3.7900 4.2714 4.3261 4.4378 4.4856 4.7502 4.7889 5.0234 5.0435 5.6454 5.6664 5.7524 5.8155 9.6568 9.6741 10.1008 10.1061 10.2782 10.2860 10.6728 10.7054 11.5192 11.5588 12.1479 12.1844 k =-0.2538 0.3351 0.6453 ( 4951 PWs) bands (ev): -8.3751 -8.3563 -8.3267 -8.3096 -8.2785 -8.2727 -8.2207 -8.1803 -7.9883 -7.9368 -7.8881 -7.8492 -7.7763 -7.7608 -7.7537 -7.7395 -7.7123 -7.7041 -7.6967 -7.6910 -6.4691 -6.4585 -6.1799 -6.1534 -5.5873 -5.5793 -5.3809 -5.3647 -1.0927 -1.0292 -0.9391 -0.8769 -0.1677 0.0676 0.3044 0.4325 0.6548 0.8071 1.0575 1.1236 1.5061 1.5731 1.6364 1.7349 3.0378 3.0771 3.1260 3.1705 3.6555 3.7761 4.2883 4.3344 4.3907 4.4408 4.7249 4.7593 4.9824 5.0031 5.6440 5.6674 5.7668 5.8306 9.7105 9.7245 10.0755 10.0809 10.2844 10.2884 10.6477 10.6785 11.5109 11.5449 12.1491 12.1865 k =-0.2623 0.3463 0.6312 ( 4950 PWs) bands (ev): -8.3745 -8.3558 -8.3267 -8.3116 -8.2778 -8.2719 -8.2209 -8.1800 -7.9890 -7.9342 -7.8891 -7.8499 -7.7763 -7.7606 -7.7531 -7.7392 -7.7118 -7.7041 -7.6971 -7.6912 -6.4802 -6.4686 -6.1766 -6.1504 -5.5950 -5.5875 -5.3667 -5.3509 -1.0925 -1.0320 -0.9439 -0.8741 -0.1652 0.0636 0.3001 0.4317 0.6550 0.8108 1.0487 1.1117 1.5433 1.6100 1.6735 1.7614 3.0349 3.0740 3.1435 3.1923 3.6317 3.7578 4.2876 4.3326 4.3722 4.3886 4.7046 4.7356 4.9451 4.9660 5.6430 5.6689 5.7809 5.8449 9.7591 9.7699 10.0443 10.0508 10.2942 10.2945 10.6314 10.6596 11.5038 11.5307 12.1479 12.1903 k =-0.2708 0.3575 0.6172 ( 4948 PWs) bands (ev): -8.3740 -8.3553 -8.3268 -8.3134 -8.2774 -8.2710 -8.2210 -8.1799 -7.9898 -7.9316 -7.8902 -7.8506 -7.7763 -7.7604 -7.7527 -7.7387 -7.7113 -7.7042 -7.6975 -7.6914 -6.4901 -6.4775 -6.1735 -6.1475 -5.6023 -5.5954 -5.3536 -5.3383 -1.0920 -1.0346 -0.9496 -0.8699 -0.1630 0.0613 0.2938 0.4303 0.6571 0.8138 1.0396 1.0991 1.5803 1.6433 1.7078 1.7837 3.0335 3.0723 3.1657 3.2175 3.6081 3.7364 4.2395 4.3272 4.3489 4.3878 4.6878 4.7162 4.9120 4.9330 5.6422 5.6706 5.7946 5.8582 9.8020 9.8097 10.0109 10.0192 10.3022 10.3073 10.6216 10.6467 11.4975 11.5153 12.1440 12.1960 k =-0.2793 0.3687 0.6031 ( 4943 PWs) bands (ev): -8.3735 -8.3547 -8.3269 -8.3150 -8.2770 -8.2702 -8.2209 -8.1798 -7.9904 -7.9291 -7.8913 -7.8513 -7.7763 -7.7603 -7.7524 -7.7380 -7.7108 -7.7043 -7.6979 -7.6916 -6.4988 -6.4850 -6.1704 -6.1449 -5.6093 -5.6028 -5.3420 -5.3269 -1.0912 -1.0369 -0.9558 -0.8649 -0.1612 0.0609 0.2859 0.4286 0.6608 0.8162 1.0303 1.0862 1.6165 1.6720 1.7385 1.8018 3.0340 3.0734 3.1912 3.2457 3.5860 3.7129 4.1770 4.2659 4.3690 4.4109 4.6736 4.6994 4.8836 4.9048 5.6416 5.6724 5.8077 5.8705 9.8382 9.8435 9.9778 9.9888 10.3120 10.3224 10.6162 10.6378 11.4911 11.4979 12.1386 12.2037 k =-0.2878 0.3799 0.5891 ( 4935 PWs) bands (ev): -8.3732 -8.3540 -8.3272 -8.3164 -8.2767 -8.2695 -8.2208 -8.1798 -7.9910 -7.9266 -7.8925 -7.8520 -7.7763 -7.7602 -7.7522 -7.7372 -7.7103 -7.7045 -7.6983 -7.6917 -6.5061 -6.4913 -6.1673 -6.1423 -5.6158 -5.6098 -5.3318 -5.3170 -1.0902 -1.0389 -0.9623 -0.8592 -0.1601 0.0625 0.2766 0.4266 0.6659 0.8181 1.0206 1.0731 1.6509 1.6952 1.7641 1.8171 3.0361 3.0774 3.2193 3.2768 3.5665 3.6889 4.1114 4.2006 4.3911 4.4372 4.6619 4.6845 4.8598 4.8815 5.6411 5.6740 5.8201 5.8815 9.8665 9.8712 9.9474 9.9627 10.3234 10.3393 10.6128 10.6311 11.4777 11.4840 12.1340 12.2134 k =-0.2963 0.3911 0.5750 ( 4942 PWs) bands (ev): -8.3730 -8.3532 -8.3276 -8.3176 -8.2766 -8.2689 -8.2205 -8.1799 -7.9915 -7.9242 -7.8939 -7.8527 -7.7763 -7.7601 -7.7523 -7.7363 -7.7098 -7.7048 -7.6988 -7.6918 -6.5122 -6.4963 -6.1642 -6.1397 -5.6219 -5.6163 -5.3231 -5.3087 -1.0892 -1.0404 -0.9688 -0.8532 -0.1595 0.0662 0.2664 0.4244 0.6722 0.8195 1.0106 1.0599 1.6829 1.7122 1.7824 1.8321 3.0392 3.0842 3.2498 3.3107 3.5510 3.6657 4.0450 4.1337 4.4122 4.4655 4.6529 4.6711 4.8404 4.8628 5.6407 5.6755 5.8317 5.8912 9.8826 9.8898 9.9249 9.9462 10.3358 10.3575 10.6095 10.6251 11.4545 11.4754 12.1329 12.2249 k =-0.3048 0.4023 0.5609 ( 4933 PWs) bands (ev): -8.3729 -8.3523 -8.3281 -8.3185 -8.2765 -8.2684 -8.2201 -8.1801 -7.9919 -7.9219 -7.8953 -7.8532 -7.7763 -7.7601 -7.7524 -7.7353 -7.7092 -7.7051 -7.6992 -7.6919 -6.5169 -6.5000 -6.1612 -6.1373 -5.6275 -5.6222 -5.3161 -5.3019 -1.0884 -1.0413 -0.9752 -0.8469 -0.1596 0.0719 0.2556 0.4221 0.6792 0.8206 1.0002 1.0468 1.7110 1.7224 1.7921 1.8492 3.0423 3.0928 3.2823 3.3469 3.5409 3.6449 3.9790 4.0662 4.4312 4.4948 4.6462 4.6608 4.8254 4.8483 5.6403 5.6766 5.8423 5.8995 9.8819 9.8845 9.9261 9.9458 10.3487 10.3763 10.6049 10.6190 11.4286 11.4648 12.1373 12.2382 k =-0.3132 0.4135 0.5469 ( 4933 PWs) bands (ev): -8.3729 -8.3513 -8.3288 -8.3192 -8.2765 -8.2681 -8.2197 -8.1804 -7.9922 -7.9195 -7.8970 -7.8538 -7.7762 -7.7601 -7.7527 -7.7343 -7.7086 -7.7056 -7.6996 -7.6920 -6.5203 -6.5023 -6.1581 -6.1348 -5.6326 -5.6275 -5.3108 -5.2968 -1.0878 -1.0415 -0.9813 -0.8407 -0.1601 0.0794 0.2447 0.4199 0.6870 0.8213 0.9892 1.0338 1.7255 1.7329 1.7962 1.8672 3.0443 3.1021 3.3161 3.3847 3.5377 3.6281 3.9146 3.9992 4.4474 4.5237 4.6394 4.6579 4.8144 4.8374 5.6398 5.6774 5.8519 5.9062 9.8684 9.8718 9.9387 9.9551 10.3618 10.3950 10.5981 10.6121 11.4006 11.4518 12.1483 12.2530 k =-0.3217 0.4247 0.5328 ( 4929 PWs) bands (ev): -8.3731 -8.3503 -8.3295 -8.3196 -8.2765 -8.2678 -8.2191 -8.1807 -7.9925 -7.9173 -7.8988 -7.8542 -7.7761 -7.7602 -7.7530 -7.7333 -7.7080 -7.7061 -7.7000 -7.6920 -6.5224 -6.5034 -6.1550 -6.1325 -5.6372 -5.6322 -5.3072 -5.2934 -1.0875 -1.0410 -0.9870 -0.8346 -0.1609 0.0883 0.2340 0.4176 0.6951 0.8217 0.9777 1.0211 1.7218 1.7435 1.8014 1.8842 3.0446 3.1107 3.3506 3.4230 3.5425 3.6167 3.8530 3.9338 4.4601 4.5492 4.6347 4.6640 4.8074 4.8297 5.6392 5.6778 5.8602 5.9114 9.8552 9.8618 9.9494 9.9651 10.3744 10.4134 10.5889 10.6040 11.3714 11.4364 12.1657 12.2694 k =-0.3217 0.4247 0.5328 ( 4929 PWs) bands (ev): -8.3731 -8.3503 -8.3295 -8.3196 -8.2765 -8.2678 -8.2191 -8.1807 -7.9925 -7.9173 -7.8988 -7.8542 -7.7761 -7.7602 -7.7530 -7.7333 -7.7080 -7.7061 -7.7000 -7.6920 -6.5224 -6.5034 -6.1550 -6.1325 -5.6372 -5.6322 -5.3072 -5.2934 -1.0875 -1.0410 -0.9870 -0.8346 -0.1609 0.0883 0.2340 0.4176 0.6951 0.8217 0.9777 1.0211 1.7218 1.7435 1.8014 1.8842 3.0446 3.1107 3.3506 3.4230 3.5425 3.6167 3.8530 3.9338 4.4601 4.5492 4.6347 4.6640 4.8074 4.8297 5.6392 5.6778 5.8602 5.9114 9.8552 9.8618 9.9494 9.9651 10.3744 10.4134 10.5889 10.6040 11.3714 11.4364 12.1657 12.2694 k =-0.3133 0.4135 0.5188 ( 4931 PWs) bands (ev): -8.3735 -8.3509 -8.3309 -8.3197 -8.2743 -8.2687 -8.2174 -8.1798 -7.9958 -7.9168 -7.8988 -7.8520 -7.7768 -7.7605 -7.7533 -7.7328 -7.7084 -7.7061 -7.6998 -7.6918 -6.5392 -6.5209 -6.1315 -6.1094 -5.6428 -5.6370 -5.3032 -5.2890 -1.0888 -1.0362 -0.9827 -0.8350 -0.1633 0.0891 0.2268 0.4186 0.6927 0.8162 0.9857 1.0095 1.6905 1.7133 1.8459 1.9278 3.0256 3.0919 3.3351 3.4089 3.5221 3.6041 3.8274 3.9100 4.4427 4.5396 4.6561 4.6953 4.7898 4.8085 5.6532 5.6886 5.8711 5.9190 9.8970 9.9024 9.9745 9.9904 10.3952 10.4327 10.6276 10.6424 11.4532 11.5247 12.2226 12.2847 k =-0.3048 0.4024 0.5048 ( 4931 PWs) bands (ev): -8.3739 -8.3515 -8.3325 -8.3194 -8.2746 -8.2671 -8.2156 -8.1791 -7.9990 -7.9163 -7.8988 -7.8498 -7.7775 -7.7607 -7.7536 -7.7324 -7.7088 -7.7062 -7.6997 -7.6916 -6.5587 -6.5411 -6.1069 -6.0853 -5.6460 -5.6394 -5.2991 -5.2846 -1.0894 -1.0317 -0.9777 -0.8353 -0.1668 0.0871 0.2196 0.4186 0.6906 0.8112 0.9918 0.9983 1.6586 1.6791 1.8972 1.9739 3.0056 3.0721 3.3197 3.3919 3.5042 3.5927 3.8016 3.8854 4.4268 4.5309 4.6743 4.7276 4.7841 4.7941 5.6626 5.6940 5.8802 5.9245 9.9363 9.9406 9.9971 10.0137 10.4178 10.4547 10.6629 10.6778 11.5303 11.6080 12.2583 12.2891 k =-0.2963 0.3912 0.4908 ( 4953 PWs) bands (ev): -8.3743 -8.3520 -8.3344 -8.3188 -8.2763 -8.2640 -8.2140 -8.1785 -8.0021 -7.9159 -7.8988 -7.8477 -7.7780 -7.7610 -7.7539 -7.7319 -7.7093 -7.7063 -7.6996 -7.6915 -6.5806 -6.5638 -6.0813 -6.0604 -5.6468 -5.6393 -5.2950 -5.2802 -1.0891 -1.0277 -0.9718 -0.8354 -0.1716 0.0812 0.2138 0.4177 0.6890 0.8066 0.9864 0.9974 1.6271 1.6458 1.9497 2.0208 2.9846 3.0518 3.3048 3.3719 3.4899 3.5829 3.7751 3.8597 4.4125 4.5224 4.6851 4.7521 4.7939 4.7960 5.6670 5.6936 5.8875 5.9279 9.9722 9.9759 10.0171 10.0351 10.4431 10.4802 10.6944 10.7096 11.5995 11.6833 12.2793 12.2884 k =-0.2879 0.3800 0.4767 ( 4957 PWs) bands (ev): -8.3745 -8.3525 -8.3363 -8.3181 -8.2782 -8.2606 -8.2123 -8.1779 -8.0050 -7.9155 -7.8988 -7.8456 -7.7785 -7.7613 -7.7542 -7.7315 -7.7097 -7.7064 -7.6996 -7.6913 -6.6049 -6.5888 -6.0550 -6.0346 -5.6453 -5.6370 -5.2909 -5.2757 -1.0879 -1.0243 -0.9649 -0.8355 -0.1779 0.0710 0.2104 0.4160 0.6882 0.8024 0.9759 1.0008 1.5964 1.6139 2.0017 2.0677 2.9625 3.0314 3.2905 3.3494 3.4795 3.5747 3.7480 3.8326 4.4002 4.5140 4.6902 4.7565 4.8207 4.8230 5.6661 5.6877 5.8927 5.9292 10.0036 10.0076 10.0347 10.0548 10.4719 10.5095 10.7218 10.7377 11.6573 11.7466 12.2801 12.2988 k =-0.2794 0.3688 0.4627 ( 4957 PWs) bands (ev): -8.3747 -8.3530 -8.3381 -8.3172 -8.2802 -8.2570 -8.2107 -8.1776 -8.0078 -7.9152 -7.8987 -7.8436 -7.7789 -7.7615 -7.7545 -7.7311 -7.7101 -7.7064 -7.6995 -7.6912 -6.6312 -6.6157 -6.0279 -6.0082 -5.6417 -5.6326 -5.2867 -5.2714 -1.0859 -1.0216 -0.9571 -0.8355 -0.1861 0.0564 0.2099 0.4138 0.6881 0.7984 0.9657 1.0032 1.5666 1.5837 2.0520 2.1139 2.9396 3.0116 3.2770 3.3256 3.4723 3.5678 3.7207 3.8043 4.3906 4.5057 4.6945 4.7557 4.8558 4.8629 5.6598 5.6763 5.8960 5.9286 10.0289 10.0345 10.0506 10.0741 10.5047 10.5428 10.7454 10.7621 11.6999 11.7932 12.2767 12.3117 k =-0.2709 0.3577 0.4487 ( 4961 PWs) bands (ev): -8.3748 -8.3535 -8.3399 -8.3163 -8.2821 -8.2534 -8.2091 -8.1773 -8.0103 -7.9151 -7.8985 -7.8415 -7.7793 -7.7616 -7.7548 -7.7307 -7.7106 -7.7065 -7.6995 -7.6910 -6.6592 -6.6444 -6.0002 -5.9812 -5.6361 -5.6263 -5.2826 -5.2671 -1.0830 -1.0195 -0.9483 -0.8355 -0.1964 0.0383 0.2119 0.4115 0.6887 0.7949 0.9560 1.0046 1.5377 1.5551 2.0993 2.1591 2.9165 2.9930 3.2642 3.3018 3.4674 3.5614 3.6938 3.7750 4.3843 4.4987 4.7006 4.7566 4.8963 4.9069 5.6476 5.6602 5.8973 5.9259 10.0455 10.0520 10.0692 10.0948 10.5418 10.5800 10.7655 10.7831 11.7240 11.8185 12.2761 12.3241 k =-0.2625 0.3465 0.4347 ( 4961 PWs) bands (ev): -8.3749 -8.3539 -8.3417 -8.3153 -8.2839 -8.2498 -8.2075 -8.1772 -8.0127 -7.9153 -7.8981 -7.8396 -7.7796 -7.7618 -7.7550 -7.7302 -7.7110 -7.7065 -7.6995 -7.6909 -6.6888 -6.6745 -5.9719 -5.9537 -5.6287 -5.6184 -5.2785 -5.2628 -1.0792 -1.0179 -0.9389 -0.8356 -0.2092 0.0177 0.2160 0.4095 0.6898 0.7918 0.9468 1.0051 1.5098 1.5281 2.1423 2.2031 2.8938 2.9760 3.2518 3.2789 3.4642 3.5543 3.6683 3.7447 4.3826 4.4942 4.7086 4.7597 4.9406 4.9532 5.6290 5.6405 5.8967 5.9215 10.0528 10.0584 10.0919 10.1172 10.5827 10.6207 10.7827 10.8013 11.7277 11.8201 12.2779 12.3359 k =-0.2540 0.3353 0.4206 ( 4963 PWs) bands (ev): -8.3749 -8.3543 -8.3433 -8.3145 -8.2856 -8.2463 -8.2059 -8.1772 -8.0149 -7.9157 -7.8975 -7.8376 -7.7798 -7.7619 -7.7552 -7.7298 -7.7114 -7.7065 -7.6995 -7.6907 -6.7197 -6.7057 -5.9433 -5.9257 -5.6198 -5.6090 -5.2745 -5.2586 -1.0746 -1.0166 -0.9288 -0.8357 -0.2246 -0.0044 0.2217 0.4081 0.6913 0.7892 0.9381 1.0048 1.4829 1.5025 2.1800 2.2452 2.8726 2.9612 3.2389 3.2584 3.4619 3.5451 3.6453 3.7138 4.3863 4.4936 4.7178 4.7643 4.9875 5.0013 5.6038 5.6178 5.8943 5.9156 10.0517 10.0569 10.1154 10.1406 10.6266 10.6633 10.7986 10.8179 11.7113 11.7986 12.2788 12.3453 k =-0.2455 0.3241 0.4066 ( 4971 PWs) bands (ev): -8.3749 -8.3547 -8.3449 -8.3137 -8.2870 -8.2428 -8.2044 -8.1774 -8.0169 -7.9163 -7.8966 -7.8358 -7.7800 -7.7620 -7.7554 -7.7294 -7.7118 -7.7066 -7.6996 -7.6906 -6.7515 -6.7379 -5.9143 -5.8974 -5.6096 -5.5983 -5.2705 -5.2546 -1.0694 -1.0156 -0.9184 -0.8360 -0.2428 -0.0272 0.2286 0.4076 0.6929 0.7873 0.9298 1.0037 1.4571 1.4783 2.2121 2.2841 2.8537 2.9488 3.2245 3.2417 3.4601 3.5321 3.6261 3.6825 4.3963 4.4983 4.7271 4.7695 5.0365 5.0507 5.5732 5.5918 5.8906 5.9084 10.0428 10.0478 10.1392 10.1645 10.6714 10.7052 10.8159 10.8347 11.6765 11.7569 12.2753 12.3502 k =-0.2371 0.3129 0.3926 ( 4979 PWs) bands (ev): -8.3748 -8.3551 -8.3463 -8.3131 -8.2881 -8.2393 -8.2029 -8.1776 -8.0186 -7.9173 -7.8955 -7.8339 -7.7801 -7.7622 -7.7556 -7.7291 -7.7122 -7.7066 -7.6997 -7.6904 -6.7841 -6.7707 -5.8850 -5.8689 -5.5982 -5.5866 -5.2667 -5.2506 -1.0636 -1.0146 -0.9077 -0.8364 -0.2637 -0.0502 0.2365 0.4083 0.6946 0.7862 0.9218 1.0020 1.4322 1.4554 2.2383 2.3186 2.8383 2.9389 3.2083 3.2293 3.4583 3.5151 3.6105 3.6519 4.4132 4.5090 4.7353 4.7746 5.0871 5.1013 5.5383 5.5622 5.8858 5.9004 10.0261 10.0311 10.1637 10.1889 10.7131 10.7406 10.8404 10.8552 11.6261 11.6988 12.2655 12.3487 k =-0.2286 0.3018 0.3786 ( 4969 PWs) bands (ev): -8.3746 -8.3555 -8.3475 -8.3128 -8.2888 -8.2358 -8.2015 -8.1779 -8.0202 -7.9185 -7.8942 -7.8321 -7.7802 -7.7622 -7.7556 -7.7287 -7.7126 -7.7066 -7.6998 -7.6903 -6.8172 -6.8040 -5.8556 -5.8401 -5.5859 -5.5740 -5.2628 -5.2468 -1.0575 -1.0132 -0.8969 -0.8369 -0.2871 -0.0729 0.2453 0.4103 0.6962 0.7860 0.9140 0.9997 1.4084 1.4335 2.2589 2.3473 2.8272 2.9314 3.1925 3.2197 3.4553 3.4954 3.5954 3.6246 4.4372 4.5265 4.7414 4.7786 5.1388 5.1526 5.5000 5.5292 5.8807 5.8922 10.0016 10.0066 10.1889 10.2138 10.7454 10.7645 10.8776 10.8846 11.5630 11.6284 12.2493 12.3406 k =-0.2201 0.2906 0.3646 ( 4965 PWs) bands (ev): -8.3743 -8.3559 -8.3487 -8.3129 -8.2891 -8.2324 -8.2000 -8.1784 -8.0215 -7.9199 -7.8926 -7.8304 -7.7802 -7.7623 -7.7555 -7.7283 -7.7129 -7.7066 -7.6999 -7.6901 -6.8506 -6.8374 -5.8261 -5.8113 -5.5728 -5.5608 -5.2591 -5.2431 -1.0515 -1.0112 -0.8862 -0.8375 -0.3127 -0.0952 0.2550 0.4136 0.6977 0.7869 0.9064 0.9970 1.3855 1.4127 2.2742 2.3690 2.8210 2.9259 3.1786 3.2121 3.4474 3.4776 3.5736 3.6073 4.4685 4.5510 4.7444 4.7809 5.1913 5.2045 5.4590 5.4932 5.8757 5.8843 9.9693 9.9743 10.2147 10.2390 10.7629 10.7796 10.9248 10.9274 11.4904 11.5494 12.2281 12.3265 k =-0.2117 0.2794 0.3505 ( 4969 PWs) bands (ev): -8.3740 -8.3563 -8.3497 -8.3133 -8.2888 -8.2291 -8.1987 -8.1788 -8.0226 -7.9216 -7.8908 -7.8288 -7.7803 -7.7625 -7.7553 -7.7279 -7.7132 -7.7066 -7.7001 -7.6900 -6.8841 -6.8709 -5.7966 -5.7826 -5.5591 -5.5471 -5.2555 -5.2396 -1.0463 -1.0079 -0.8757 -0.8383 -0.3399 -0.1171 0.2656 0.4182 0.6992 0.7888 0.8989 0.9937 1.3634 1.3928 2.2847 2.3833 2.8195 2.9214 3.1675 3.2066 3.4290 3.4670 3.5467 3.5990 4.5065 4.5821 4.7439 4.7806 5.2438 5.2564 5.4163 5.4550 5.8716 5.8774 9.9293 9.9342 10.2409 10.2643 10.7689 10.7887 10.9777 10.9798 11.4110 11.4658 12.2037 12.3081 k =-0.2032 0.2682 0.3365 ( 4961 PWs) bands (ev): -8.3737 -8.3567 -8.3505 -8.3141 -8.2881 -8.2259 -8.1975 -8.1793 -8.0234 -7.9234 -7.8889 -7.8272 -7.7803 -7.7627 -7.7549 -7.7276 -7.7136 -7.7066 -7.7003 -7.6899 -6.9176 -6.9043 -5.7673 -5.7538 -5.5450 -5.5330 -5.2521 -5.2362 -1.0425 -1.0027 -0.8656 -0.8393 -0.3682 -0.1385 0.2773 0.4239 0.7008 0.7918 0.8914 0.9901 1.3421 1.3739 2.2910 2.3907 2.8216 2.9170 3.1599 3.2036 3.4035 3.4580 3.5229 3.5947 4.5508 4.6190 4.7399 4.7772 5.2938 5.3075 5.3746 5.4159 5.8690 5.8722 9.8818 9.8864 10.2668 10.2890 10.7690 10.7923 11.0325 11.0362 11.3277 11.3828 12.1781 12.2870 k =-0.1947 0.2571 0.3225 ( 4957 PWs) bands (ev): -8.3732 -8.3572 -8.3512 -8.3152 -8.2869 -8.2228 -8.1965 -8.1798 -8.0240 -7.9254 -7.8868 -7.8257 -7.7804 -7.7629 -7.7544 -7.7272 -7.7138 -7.7066 -7.7005 -7.6898 -6.9508 -6.9374 -5.7381 -5.7253 -5.5306 -5.5187 -5.2487 -5.2329 -1.0402 -0.9955 -0.8562 -0.8403 -0.3970 -0.1595 0.2900 0.4306 0.7024 0.7958 0.8838 0.9863 1.3215 1.3560 2.2940 2.3920 2.8254 2.9116 3.1564 3.2034 3.3752 3.4411 3.5093 3.5929 4.6002 4.6582 4.7349 4.7704 5.3103 5.3449 5.3676 5.3867 5.8681 5.8696 9.8270 9.8314 10.2916 10.3123 10.7653 10.7912 11.0761 11.0977 11.2438 11.3107 12.1529 12.2652 k =-0.1863 0.2459 0.3085 ( 4957 PWs) bands (ev): -8.3728 -8.3577 -8.3517 -8.3165 -8.2854 -8.2197 -8.1956 -8.1802 -8.0244 -7.9275 -7.8845 -7.8243 -7.7804 -7.7632 -7.7537 -7.7269 -7.7141 -7.7067 -7.7007 -7.6897 -6.9836 -6.9700 -5.7093 -5.6971 -5.5161 -5.5043 -5.2455 -5.2299 -1.0394 -0.9864 -0.8478 -0.8412 -0.4259 -0.1801 0.3039 0.4381 0.7044 0.8007 0.8762 0.9822 1.3015 1.3388 2.2945 2.3888 2.8289 2.9043 3.1574 3.2063 3.3457 3.4149 3.5070 3.5933 4.6515 4.6851 4.7436 4.7614 5.2711 5.3217 5.4135 5.4195 5.8682 5.8712 9.7654 9.7693 10.3138 10.3330 10.7576 10.7850 11.0876 11.1439 11.1792 11.2755 12.1296 12.2441 k =-0.1778 0.2347 0.2945 ( 4957 PWs) bands (ev): -8.3723 -8.3581 -8.3521 -8.3181 -8.2835 -8.2168 -8.1950 -8.1804 -8.0246 -7.9298 -7.8821 -7.8230 -7.7805 -7.7636 -7.7529 -7.7266 -7.7143 -7.7067 -7.7009 -7.6896 -7.0159 -7.0021 -5.6808 -5.6692 -5.5015 -5.4899 -5.2425 -5.2270 -1.0397 -0.9760 -0.8443 -0.8384 -0.4542 -0.2001 0.3191 0.4462 0.7067 0.8065 0.8685 0.9780 1.2820 1.3226 2.2933 2.3827 2.8303 2.8948 3.1624 3.2120 3.3156 3.3840 3.5115 3.5961 4.6710 4.7081 4.7518 4.7871 5.2266 5.2817 5.4639 5.4703 5.8707 5.8763 9.6973 9.7006 10.3320 10.3495 10.7442 10.7710 11.0533 11.0802 11.2318 11.2959 12.1095 12.2252 k =-0.1693 0.2235 0.2804 ( 4957 PWs) bands (ev): -8.3718 -8.3586 -8.3524 -8.3198 -8.2814 -8.2140 -8.1948 -8.1804 -8.0246 -7.9322 -7.8796 -7.8218 -7.7806 -7.7641 -7.7518 -7.7263 -7.7145 -7.7067 -7.7012 -7.6896 -7.0476 -7.0335 -5.6528 -5.6417 -5.4870 -5.4757 -5.2396 -5.2244 -1.0407 -0.9646 -0.8456 -0.8323 -0.4814 -0.2197 0.3356 0.4548 0.7093 0.8127 0.8609 0.9737 1.2630 1.3071 2.2912 2.3749 2.8285 2.8830 3.1704 3.2195 3.2861 3.3516 3.5200 3.6013 4.6517 4.7131 4.7852 4.8400 5.1838 5.2425 5.5139 5.5222 5.8760 5.8845 9.6233 9.6260 10.3443 10.3604 10.7206 10.7439 11.0088 11.0181 11.2967 11.3443 12.0936 12.2095 k =-0.1609 0.2124 0.2664 ( 4963 PWs) bands (ev): -8.3712 -8.3590 -8.3527 -8.3215 -8.2792 -8.2113 -8.1949 -8.1801 -8.0243 -7.9347 -7.8769 -7.8206 -7.7808 -7.7646 -7.7506 -7.7260 -7.7147 -7.7067 -7.7014 -7.6895 -7.0785 -7.0641 -5.6254 -5.6148 -5.4727 -5.4617 -5.2369 -5.2219 -1.0423 -0.9528 -0.8475 -0.8270 -0.5069 -0.2386 0.3534 0.4638 0.7123 0.8189 0.8542 0.9696 1.2443 1.2924 2.2888 2.3665 2.8232 2.8692 3.1784 3.2267 3.2601 3.3192 3.5315 3.6092 4.6252 4.6932 4.8386 4.8936 5.1470 5.2089 5.5627 5.5737 5.8843 5.8959 9.5440 9.5460 10.3490 10.3641 10.6810 10.6983 10.9770 10.9808 11.3619 11.4009 12.0826 12.1979 k =-0.1524 0.2012 0.2524 ( 4967 PWs) bands (ev): -8.3706 -8.3594 -8.3529 -8.3233 -8.2768 -8.2087 -8.1954 -8.1796 -8.0239 -7.9372 -7.8742 -7.8196 -7.7810 -7.7651 -7.7493 -7.7257 -7.7148 -7.7067 -7.7017 -7.6895 -7.1085 -7.0939 -5.5986 -5.5886 -5.4586 -5.4480 -5.2343 -5.2197 -1.0443 -0.9408 -0.8497 -0.8233 -0.5303 -0.2568 0.3727 0.4731 0.7155 0.8231 0.8502 0.9656 1.2259 1.2783 2.2868 2.3585 2.8146 2.8537 3.1794 3.2259 3.2484 3.2884 3.5456 3.6200 4.5953 4.6682 4.8839 4.9362 5.1262 5.1887 5.6099 5.6243 5.8954 5.9103 9.4599 9.4615 10.3450 10.3595 10.6239 10.6361 10.9610 10.9748 11.4266 11.4596 12.0771 12.1907 k =-0.1439 0.1900 0.2384 ( 4969 PWs) bands (ev): -8.3700 -8.3597 -8.3530 -8.3252 -8.2742 -8.2062 -8.1962 -8.1789 -8.0232 -7.9399 -7.8713 -7.8186 -7.7812 -7.7657 -7.7478 -7.7255 -7.7150 -7.7067 -7.7019 -7.6895 -7.1375 -7.1227 -5.5726 -5.5630 -5.4449 -5.4347 -5.2320 -5.2176 -1.0465 -0.9291 -0.8523 -0.8213 -0.5508 -0.2742 0.3933 0.4827 0.7187 0.8219 0.8522 0.9618 1.2077 1.2648 2.2856 2.3515 2.8033 2.8371 3.1643 3.2191 3.2492 3.2657 3.5623 3.6338 4.5637 4.6408 4.9054 4.9510 5.1386 5.1944 5.6552 5.6733 5.9090 5.9273 9.3715 9.3731 10.3323 10.3459 10.5548 10.5642 10.9662 10.9863 11.4900 11.5181 12.0771 12.1882 k =-0.1355 0.1788 0.2243 ( 4961 PWs) bands (ev): -8.3693 -8.3599 -8.3531 -8.3270 -8.2715 -8.2038 -8.1973 -8.1780 -8.0223 -7.9426 -7.8683 -7.8177 -7.7814 -7.7663 -7.7461 -7.7252 -7.7150 -7.7067 -7.7021 -7.6895 -7.1655 -7.1504 -5.5474 -5.5382 -5.4317 -5.4219 -5.2298 -5.2158 -1.0489 -0.9183 -0.8552 -0.8208 -0.5682 -0.2908 0.4153 0.4925 0.7218 0.8162 0.8594 0.9583 1.1898 1.2516 2.2859 2.3462 2.7899 2.8197 3.1385 3.2025 3.2466 3.2630 3.5815 3.6506 4.5319 4.6123 4.8955 4.9367 5.1857 5.2323 5.6983 5.7205 5.9249 5.9467 9.2795 9.2818 10.3114 10.3235 10.4805 10.4885 10.9866 11.0103 11.5517 11.5752 12.0828 12.1903 k =-0.1270 0.1677 0.2103 ( 4961 PWs) bands (ev): -8.3686 -8.3601 -8.3532 -8.3289 -8.2688 -8.2016 -8.1985 -8.1771 -8.0213 -7.9454 -7.8652 -7.8169 -7.7817 -7.7671 -7.7444 -7.7249 -7.7150 -7.7067 -7.7023 -7.6896 -7.1923 -7.1770 -5.5231 -5.5143 -5.4189 -5.4096 -5.2278 -5.2142 -1.0514 -0.9092 -0.8579 -0.8218 -0.5819 -0.3066 0.4386 0.5028 0.7246 0.8087 0.8691 0.9553 1.1721 1.2386 2.2880 2.3428 2.7750 2.8017 3.1097 3.1750 3.2478 3.2644 3.6035 3.6704 4.5010 4.5838 4.8655 4.9065 5.2517 5.2928 5.7391 5.7652 5.9428 5.9681 9.1847 9.1880 10.2837 10.2930 10.4056 10.4130 11.0174 11.0429 11.6109 11.6301 12.0939 12.1966 k =-0.1185 0.1565 0.1963 ( 4963 PWs) bands (ev): -8.3679 -8.3602 -8.3532 -8.3307 -8.2660 -8.2005 -8.1989 -8.1761 -8.0201 -7.9482 -7.8621 -7.8161 -7.7820 -7.7678 -7.7425 -7.7247 -7.7151 -7.7067 -7.7026 -7.6897 -7.2179 -7.2024 -5.4998 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0.1341 0.1683 ( 4957 PWs) bands (ev): -8.3663 -8.3602 -8.3533 -8.3343 -8.2603 -8.2034 -8.1950 -8.1743 -8.0171 -7.9540 -7.8555 -7.8149 -7.7826 -7.7695 -7.7384 -7.7241 -7.7151 -7.7067 -7.7030 -7.6900 -7.2650 -7.2493 -5.4565 -5.4489 -5.3840 -5.3765 -5.2232 -5.2107 -1.0588 -0.9086 -0.8544 -0.8287 -0.6007 -0.3491 0.5152 0.5362 0.7283 0.7871 0.9019 0.9490 1.1199 1.1997 2.3083 2.3484 2.7261 2.7470 3.0224 3.0851 3.2344 3.2447 3.6845 3.7443 4.4245 4.5067 4.7448 4.7860 5.4887 5.5232 5.8453 5.8799 6.0074 6.0392 8.8920 8.8985 10.1585 10.1727 10.1954 10.2175 11.1461 11.1717 11.7647 11.7758 12.1533 12.2331 k =-0.0931 0.1229 0.1542 ( 4945 PWs) bands (ev): -8.3655 -8.3600 -8.3532 -8.3360 -8.2574 -8.2051 -8.1930 -8.1735 -8.0153 -7.9569 -7.8521 -7.8144 -7.7829 -7.7704 -7.7363 -7.7238 -7.7150 -7.7067 -7.7031 -7.6903 -7.2863 -7.2707 -5.4367 -5.4294 -5.3737 -5.3668 -5.2220 -5.2101 -1.0609 -0.9181 -0.8494 -0.8306 -0.6002 -0.3619 0.5410 0.5499 0.7270 0.7823 0.9123 0.9481 1.1028 1.1862 2.3204 2.3563 2.7096 2.7292 2.9945 3.0560 3.2198 3.2291 3.7153 3.7722 4.4066 4.4855 4.7042 4.7439 5.5719 5.6048 5.8752 5.9101 6.0319 6.0636 8.7944 8.8017 10.1043 10.1248 10.1390 10.1662 11.1957 11.2202 11.8047 11.8170 12.1773 12.2455 k =-0.0847 0.1118 0.1402 ( 4941 PWs) bands (ev): -8.3647 -8.3599 -8.3533 -8.3378 -8.2545 -8.2069 -8.1910 -8.1729 -8.0135 -7.9598 -7.8486 -7.8140 -7.7832 -7.7714 -7.7341 -7.7235 -7.7150 -7.7066 -7.7033 -7.6907 -7.3059 -7.2907 -5.4182 -5.4113 -5.3641 -5.3579 -5.2211 -5.2096 -1.0627 -0.9299 -0.8447 -0.8319 -0.5968 -0.3741 0.5577 0.5736 0.7240 0.7794 0.9215 0.9479 1.0861 1.1723 2.3353 2.3677 2.6936 2.7118 2.9672 3.0274 3.2001 3.2097 3.7472 3.8010 4.3929 4.4670 4.6652 4.7026 5.6548 5.6861 5.9024 5.9361 6.0573 6.0876 8.6981 8.7063 10.0510 10.0689 10.0954 10.1189 11.2467 11.2699 11.8389 11.8532 12.1974 12.2528 k =-0.0762 0.1006 0.1262 ( 4945 PWs) bands (ev): -8.3639 -8.3597 -8.3533 -8.3395 -8.2516 -8.2088 -8.1891 -8.1724 -8.0115 -7.9628 -7.8452 -7.8137 -7.7836 -7.7724 -7.7319 -7.7232 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11.3502 11.3699 11.8904 11.9085 12.1996 12.2372 k =-0.0593 0.0782 0.0982 ( 4951 PWs) bands (ev): -8.3623 -8.3592 -8.3534 -8.3427 -8.2460 -8.2127 -8.1856 -8.1719 -8.0072 -7.9688 -7.8385 -7.8135 -7.7841 -7.7747 -7.7278 -7.7225 -7.7144 -7.7063 -7.7037 -7.6927 -7.3545 -7.3414 -5.3712 -5.3660 -5.3397 -5.3356 -5.2195 -5.2099 -1.0654 -0.9703 -0.8385 -0.8303 -0.5743 -0.4087 0.5948 0.6598 0.7084 0.7821 0.9361 0.9516 1.0408 1.1277 2.3961 2.4237 2.6513 2.6641 2.8872 2.9428 3.1220 3.1367 3.8440 3.8866 4.3738 4.4239 4.5629 4.5883 5.8880 5.9160 5.9721 5.9943 6.1316 6.1518 8.4278 8.4374 9.9148 9.9250 9.9813 9.9948 11.4012 11.4189 11.9081 11.9274 12.1810 12.2136 k =-0.0508 0.0671 0.0841 ( 4951 PWs) bands (ev): -8.3615 -8.3589 -8.3534 -8.3442 -8.2432 -8.2147 -8.1838 -8.1718 -8.0049 -7.9718 -7.8352 -7.8136 -7.7842 -7.7758 -7.7261 -7.7221 -7.7139 -7.7062 -7.7039 -7.6937 -7.3670 -7.3550 -5.3586 -5.3543 -5.3331 -5.3296 -5.2192 -5.2105 -1.0650 -0.9835 -0.8381 -0.8293 -0.5638 -0.4200 0.6064 0.6858 0.7048 0.7864 0.9364 0.9514 1.0298 1.1122 2.4210 2.4493 2.6400 2.6503 2.8600 2.9132 3.0953 3.1109 3.8747 3.9131 4.3726 4.4119 4.5356 4.5552 5.9479 5.9791 5.9985 6.0150 6.1535 6.1693 8.3481 8.3575 9.8796 9.8879 9.9493 9.9603 11.4510 11.4663 11.9204 11.9405 12.1575 12.1844 k =-0.0423 0.0559 0.0701 ( 4955 PWs) bands (ev): -8.3607 -8.3586 -8.3533 -8.3457 -8.2405 -8.2168 -8.1822 -8.1720 -8.0025 -7.9748 -7.8320 -7.8139 -7.7842 -7.7770 -7.7246 -7.7217 -7.7130 -7.7060 -7.7040 -7.6949 -7.3774 -7.3669 -5.3479 -5.3446 -5.3273 -5.3242 -5.2190 -5.2113 -1.0639 -0.9960 -0.8376 -0.8289 -0.5525 -0.4313 0.6174 0.6914 0.7208 0.7920 0.9351 0.9477 1.0226 1.0967 2.4478 2.4779 2.6305 2.6382 2.8318 2.8820 3.0711 3.0866 3.9037 3.9374 4.3725 4.4003 4.5127 4.5256 5.9809 6.0073 6.0458 6.0585 6.1732 6.1844 8.2762 8.2850 9.8498 9.8564 9.9213 9.9301 11.4987 11.5115 11.9268 11.9475 12.1340 12.1538 k =-0.0339 0.0447 0.0561 ( 4957 PWs) bands (ev): -8.3599 -8.3584 -8.3533 -8.3471 -8.2378 -8.2189 -8.1806 -8.1723 -8.0000 -7.9777 -7.8290 -7.8145 -7.7841 -7.7782 -7.7235 -7.7214 -7.7117 -7.7058 -7.7042 -7.6963 -7.3858 -7.3770 -5.3391 -5.3368 -5.3222 -5.3195 -5.2188 -5.2123 -1.0618 -1.0076 -0.8370 -0.8290 -0.5405 -0.4427 0.6275 0.6860 0.7462 0.7988 0.9323 0.9405 1.0196 1.0816 2.4760 2.5084 2.6227 2.6285 2.8028 2.8488 3.0508 3.0649 3.9302 3.9587 4.3725 4.3891 4.4943 4.5008 5.9979 6.0173 6.0996 6.1086 6.1907 6.1969 8.2137 8.2216 9.8255 9.8306 9.8977 9.9045 11.5433 11.5533 11.9274 11.9481 12.1135 12.1260 k =-0.0254 0.0335 0.0421 ( 4961 PWs) bands (ev): -8.3592 -8.3582 -8.3531 -8.3484 -8.2352 -8.2210 -8.1792 -8.1729 -7.9974 -7.9807 -7.8262 -7.8153 -7.7839 -7.7793 -7.7228 -7.7212 -7.7100 -7.7056 -7.7043 -7.6979 -7.3920 -7.3852 -5.3323 -5.3311 -5.3179 -5.3154 -5.2186 -5.2134 -1.0589 -1.0183 -0.8361 -0.8296 -0.5281 -0.4543 0.6368 0.6798 0.7703 0.8062 0.9278 0.9312 1.0201 1.0675 2.5044 2.5391 2.6160 2.6230 2.7736 2.8141 3.0352 3.0468 3.9535 3.9760 4.3714 4.3789 4.4795 4.4824 6.0093 6.0233 6.1457 6.1504 6.2059 6.2072 8.1627 8.1691 9.8067 9.8104 9.8791 9.8840 11.5832 11.5906 11.9228 11.9421 12.0976 12.1040 k =-0.0169 0.0224 0.0280 ( 4969 PWs) bands (ev): -8.3586 -8.3580 -8.3528 -8.3496 -8.2327 -8.2233 -8.1778 -8.1736 -7.9948 -7.9836 -7.8237 -7.8164 -7.7835 -7.7804 -7.7222 -7.7212 -7.7081 -7.7054 -7.7045 -7.6997 -7.3961 -7.3914 -5.3277 -5.3272 -5.3144 -5.3124 -5.2182 -5.2146 -1.0549 -1.0279 -0.8351 -0.8305 -0.5156 -0.4662 0.6453 0.6734 0.7911 0.8130 0.9214 0.9228 1.0232 1.0548 2.5314 2.5649 2.6132 2.6222 2.7465 2.7792 3.0248 3.0330 3.9725 3.9882 4.3689 4.3710 4.4679 4.4712 6.0175 6.0267 6.1779 6.1819 6.2148 6.2198 8.1249 8.1295 9.7935 9.7959 9.8658 9.8690 11.6163 11.6209 11.9156 11.9309 12.0867 12.0896 k =-0.0085 0.0112 0.0140 ( 4965 PWs) bands (ev): -8.3582 -8.3579 -8.3523 -8.3507 -8.2303 -8.2255 -8.1765 -8.1744 -7.9920 -7.9864 -7.8214 -7.8177 -7.7830 -7.7814 -7.7218 -7.7213 -7.7062 -7.7052 -7.7045 -7.7016 -7.3981 -7.3957 -5.3251 -5.3249 -5.3118 -5.3107 -5.2175 -5.2157 -1.0498 -1.0363 -0.8340 -0.8316 -0.5030 -0.4782 0.6530 0.6669 0.8068 0.8171 0.9153 0.9170 1.0282 1.0440 2.5541 2.5751 2.6205 2.6254 2.7271 2.7474 3.0195 3.0237 3.9862 3.9943 4.3655 4.3665 4.4618 4.4644 6.0232 6.0277 6.1952 6.1996 6.2236 6.2290 8.1020 8.1044 9.7858 9.7870 9.8580 9.8596 11.6391 11.6413 11.9101 11.9186 12.0806 12.0819 k = 0.0000 0.0000 0.0000 ( 4949 PWs) bands (ev): -8.3580 -8.3580 -8.3515 -8.3515 -8.2279 -8.2279 -8.1754 -8.1754 -7.9892 -7.9892 -7.8194 -7.8194 -7.7822 -7.7822 -7.7215 -7.7215 -7.7052 -7.7052 -7.7035 -7.7035 -7.3980 -7.3980 -5.3242 -5.3242 -5.3105 -5.3105 -5.2167 -5.2167 -1.0436 -1.0436 -0.8328 -0.8328 -0.4905 -0.4905 0.6601 0.6601 0.8156 0.8156 0.9138 0.9138 1.0351 1.0351 2.5693 2.5693 2.6278 2.6278 2.7264 2.7264 3.0191 3.0191 3.9937 3.9937 4.3645 4.3645 4.4611 4.4611 6.0266 6.0266 6.2022 6.2022 6.2304 6.2304 8.0951 8.0951 9.7836 9.7836 9.8559 9.8559 11.6480 11.6480 11.9106 11.9106 12.0791 12.0791 k = 0.0000 0.0000 0.0000 ( 4949 PWs) bands (ev): -8.3580 -8.3580 -8.3515 -8.3515 -8.2279 -8.2279 -8.1754 -8.1754 -7.9892 -7.9892 -7.8194 -7.8194 -7.7822 -7.7822 -7.7215 -7.7215 -7.7052 -7.7052 -7.7035 -7.7035 -7.3980 -7.3980 -5.3242 -5.3242 -5.3105 -5.3105 -5.2167 -5.2167 -1.0436 -1.0436 -0.8328 -0.8328 -0.4905 -0.4905 0.6601 0.6601 0.8156 0.8156 0.9138 0.9138 1.0351 1.0351 2.5693 2.5693 2.6278 2.6278 2.7264 2.7264 3.0191 3.0191 3.9937 3.9937 4.3645 4.3645 4.4611 4.4611 6.0266 6.0266 6.2022 6.2022 6.2304 6.2304 8.0951 8.0951 9.7836 9.7836 9.8559 9.8559 11.6480 11.6480 11.9106 11.9106 12.0791 12.0791 k = 0.0156 0.0118-0.0000 ( 4957 PWs) bands (ev): -8.3580 -8.3580 -8.3514 -8.3514 -8.2280 -8.2280 -8.1754 -8.1754 -7.9892 -7.9892 -7.8197 -7.8197 -7.7820 -7.7820 -7.7217 -7.7217 -7.7055 -7.7055 -7.7031 -7.7031 -7.3967 -7.3967 -5.3243 -5.3243 -5.3106 -5.3106 -5.2185 -5.2185 -1.0442 -1.0442 -0.8322 -0.8322 -0.4895 -0.4895 0.6600 0.6600 0.8140 0.8140 0.9136 0.9136 1.0352 1.0352 2.5706 2.5706 2.6290 2.6290 2.7292 2.7292 3.0184 3.0184 3.9949 3.9949 4.3657 4.3657 4.4623 4.4623 6.0224 6.0224 6.2001 6.2001 6.2285 6.2285 8.1004 8.1004 9.7858 9.7858 9.8560 9.8560 11.6385 11.6385 11.9048 11.9048 12.0679 12.0679 k = 0.0312 0.0237-0.0000 ( 4953 PWs) bands (ev): -8.3582 -8.3582 -8.3510 -8.3510 -8.2286 -8.2286 -8.1754 -8.1754 -7.9890 -7.9890 -7.8205 -7.8205 -7.7813 -7.7813 -7.7226 -7.7226 -7.7061 -7.7061 -7.7022 -7.7022 -7.3930 -7.3930 -5.3246 -5.3246 -5.3110 -5.3110 -5.2240 -5.2240 -1.0458 -1.0458 -0.8303 -0.8303 -0.4863 -0.4863 0.6594 0.6594 0.8093 0.8093 0.9132 0.9132 1.0356 1.0356 2.5747 2.5747 2.6329 2.6329 2.7375 2.7375 3.0162 3.0162 3.9986 3.9986 4.3692 4.3692 4.4659 4.4659 6.0098 6.0098 6.1935 6.1935 6.2225 6.2225 8.1160 8.1160 9.7921 9.7921 9.8564 9.8564 11.6109 11.6109 11.8872 11.8872 12.0353 12.0353 k = 0.0469 0.0355-0.0000 ( 4953 PWs) bands (ev): -8.3584 -8.3584 -8.3504 -8.3504 -8.2295 -8.2295 -8.1755 -8.1755 -7.9887 -7.9887 -7.8218 -7.8218 -7.7803 -7.7803 -7.7239 -7.7239 -7.7066 -7.7066 -7.7013 -7.7013 -7.3868 -7.3868 -5.3250 -5.3250 -5.3116 -5.3116 -5.2331 -5.2331 -1.0483 -1.0483 -0.8275 -0.8275 -0.4811 -0.4811 0.6583 0.6583 0.8019 0.8019 0.9125 0.9125 1.0362 1.0362 2.5813 2.5813 2.6392 2.6392 2.7510 2.7510 3.0126 3.0126 4.0047 4.0047 4.3750 4.3750 4.4720 4.4720 5.9893 5.9893 6.1829 6.1829 6.2126 6.2126 8.1415 8.1415 9.8026 9.8026 9.8570 9.8570 11.5674 11.5674 11.8572 11.8572 11.9847 11.9847 k = 0.0625 0.0473-0.0000 ( 4953 PWs) bands (ev): -8.3587 -8.3587 -8.3497 -8.3497 -8.2307 -8.2307 -8.1756 -8.1756 -7.9882 -7.9882 -7.8235 -7.8235 -7.7790 -7.7790 -7.7255 -7.7255 -7.7070 -7.7070 -7.7003 -7.7003 -7.3782 -7.3782 -5.3256 -5.3256 -5.3126 -5.3126 -5.2456 -5.2456 -1.0515 -1.0515 -0.8241 -0.8241 -0.4737 -0.4737 0.6561 0.6561 0.7924 0.7924 0.9116 0.9116 1.0370 1.0370 2.5906 2.5906 2.6481 2.6481 2.7693 2.7693 3.0079 3.0079 4.0131 4.0131 4.3831 4.3831 4.4804 4.4804 5.9615 5.9615 6.1683 6.1683 6.1990 6.1990 8.1761 8.1761 9.8170 9.8170 9.8579 9.8579 11.5108 11.5108 11.8146 11.8146 11.9195 11.9195 k = 0.0781 0.0592-0.0000 ( 4957 PWs) bands (ev): -8.3589 -8.3589 -8.3488 -8.3488 -8.2322 -8.2322 -8.1759 -8.1759 -7.9876 -7.9876 -7.8256 -7.8256 -7.7775 -7.7775 -7.7274 -7.7274 -7.7073 -7.7073 -7.6994 -7.6994 -7.3673 -7.3673 -5.3264 -5.3264 -5.3139 -5.3139 -5.2614 -5.2614 -1.0552 -1.0552 -0.8204 -0.8204 -0.4642 -0.4642 0.6523 0.6523 0.7818 0.7818 0.9106 0.9106 1.0381 1.0381 2.6024 2.6024 2.6595 2.6595 2.7917 2.7917 3.0025 3.0025 4.0235 4.0235 4.3934 4.3934 4.4910 4.4910 5.9272 5.9272 6.1499 6.1499 6.1816 6.1816 8.2190 8.2190 9.8347 9.8347 9.8594 9.8594 11.4441 11.4441 11.7594 11.7594 11.8432 11.8432 k = 0.0938 0.0710-0.0000 ( 4961 PWs) bands (ev): -8.3591 -8.3591 -8.3478 -8.3478 -8.2339 -8.2339 -8.1762 -8.1762 -7.9868 -7.9868 -7.8279 -7.8279 -7.7758 -7.7758 -7.7294 -7.7294 -7.7075 -7.7075 -7.6987 -7.6987 -7.3542 -7.3542 -5.3274 -5.3274 -5.3161 -5.3161 -5.2799 -5.2799 -1.0592 -1.0592 -0.8167 -0.8167 -0.4526 -0.4526 0.6460 0.6460 0.7710 0.7710 0.9098 0.9098 1.0396 1.0396 2.6167 2.6167 2.6732 2.6732 2.8172 2.8172 2.9971 2.9971 4.0360 4.0360 4.4058 4.4058 4.5038 4.5038 5.8874 5.8874 6.1281 6.1281 6.1607 6.1607 8.2691 8.2691 9.8514 9.8514 9.8654 9.8654 11.3700 11.3700 11.6926 11.6926 11.7585 11.7585 k = 0.1094 0.0829-0.0000 ( 4960 PWs) bands (ev): -8.3593 -8.3593 -8.3467 -8.3467 -8.2358 -8.2358 -8.1767 -8.1767 -7.9858 -7.9858 -7.8305 -7.8305 -7.7740 -7.7740 -7.7315 -7.7315 -7.7078 -7.7078 -7.6979 -7.6979 -7.3389 -7.3389 -5.3290 -5.3290 -5.3209 -5.3209 -5.2987 -5.2987 -1.0632 -1.0632 -0.8133 -0.8133 -0.4391 -0.4391 0.6363 0.6363 0.7613 0.7613 0.9093 0.9093 1.0414 1.0414 2.6332 2.6332 2.6893 2.6893 2.8440 2.8440 2.9930 2.9930 4.0502 4.0502 4.4203 4.4203 4.5187 4.5187 5.8430 5.8430 6.1030 6.1030 6.1364 6.1364 8.3254 8.3254 9.8562 9.8562 9.8864 9.8864 11.2909 11.2909 11.6154 11.6154 11.6678 11.6678 k = 0.1250 0.0947-0.0000 ( 4948 PWs) bands (ev): -8.3594 -8.3594 -8.3455 -8.3455 -8.2379 -8.2379 -8.1774 -8.1774 -7.9847 -7.9847 -7.8331 -7.8331 -7.7722 -7.7722 -7.7336 -7.7336 -7.7079 -7.7079 -7.6973 -7.6973 -7.3216 -7.3216 -5.3390 -5.3390 -5.3281 -5.3281 -5.3101 -5.3101 -1.0671 -1.0671 -0.8105 -0.8105 -0.4237 -0.4237 0.6225 0.6225 0.7535 0.7535 0.9095 0.9095 1.0438 1.0438 2.6521 2.6521 2.7077 2.7077 2.8688 2.8688 2.9932 2.9932 4.0659 4.0659 4.4368 4.4368 4.5354 4.5354 5.7952 5.7952 6.0749 6.0749 6.1090 6.1090 8.3869 8.3869 9.8568 9.8568 9.9140 9.9140 11.2087 11.2087 11.5290 11.5290 11.5732 11.5732 k = 0.1406 0.1065-0.0000 ( 4960 PWs) bands (ev): -8.3594 -8.3594 -8.3443 -8.3443 -8.2401 -8.2401 -8.1783 -8.1783 -7.9833 -7.9833 -7.8360 -7.8360 -7.7703 -7.7703 -7.7358 -7.7358 -7.7081 -7.7081 -7.6968 -7.6968 -7.3023 -7.3023 -5.3646 -5.3646 -5.3300 -5.3300 -5.3143 -5.3143 -1.0708 -1.0708 -0.8085 -0.8085 -0.4067 -0.4067 0.6046 0.6046 0.7478 0.7478 0.9106 0.9106 1.0467 1.0467 2.6731 2.6731 2.7281 2.7281 2.8860 2.8860 3.0029 3.0029 4.0830 4.0830 4.4551 4.4551 4.5539 4.5539 5.7448 5.7448 6.0439 6.0439 6.0788 6.0788 8.4526 8.4526 9.8563 9.8563 9.9444 9.9444 11.1253 11.1253 11.4351 11.4351 11.4761 11.4761 k = 0.1562 0.1184-0.0000 ( 4976 PWs) bands (ev): -8.3594 -8.3594 -8.3431 -8.3431 -8.2424 -8.2424 -8.1794 -8.1794 -7.9818 -7.9818 -7.8389 -7.8389 -7.7685 -7.7685 -7.7378 -7.7378 -7.7082 -7.7082 -7.6964 -7.6964 -7.2811 -7.2811 -5.3954 -5.3954 -5.3316 -5.3316 -5.3169 -5.3169 -1.0742 -1.0742 -0.8073 -0.8073 -0.3883 -0.3883 0.5832 0.5832 0.7437 0.7437 0.9129 0.9129 1.0505 1.0505 2.6961 2.6961 2.7505 2.7505 2.8915 2.8915 3.0257 3.0257 4.1011 4.1011 4.4751 4.4751 4.5740 4.5740 5.6928 5.6928 6.0103 6.0103 6.0460 6.0460 8.5217 8.5217 9.8548 9.8548 9.9765 9.9765 11.0425 11.0425 11.3358 11.3358 11.3773 11.3773 k = 0.1719 0.1302-0.0000 ( 4976 PWs) bands (ev): -8.3593 -8.3593 -8.3418 -8.3418 -8.2447 -8.2447 -8.1807 -8.1807 -7.9800 -7.9800 -7.8419 -7.8419 -7.7667 -7.7667 -7.7398 -7.7398 -7.7083 -7.7083 -7.6960 -7.6960 -7.2581 -7.2581 -5.4292 -5.4292 -5.3331 -5.3331 -5.3191 -5.3190 -1.0772 -1.0772 -0.8069 -0.8069 -0.3689 -0.3688 0.5589 0.5589 0.7405 0.7405 0.9166 0.9166 1.0552 1.0552 2.7210 2.7210 2.7747 2.7747 2.8873 2.8873 3.0591 3.0591 4.1201 4.1201 4.4967 4.4967 4.5954 4.5954 5.6400 5.6400 5.9744 5.9744 6.0109 6.0109 8.5931 8.5931 9.8523 9.8523 10.0094 10.0094 10.9619 10.9619 11.2332 11.2332 11.2773 11.2773 k = 0.1875 0.1420-0.0000 ( 4968 PWs) bands (ev): -8.3591 -8.3591 -8.3405 -8.3405 -8.2470 -8.2470 -8.1821 -8.1821 -7.9780 -7.9780 -7.8449 -7.8449 -7.7649 -7.7649 -7.7416 -7.7416 -7.7084 -7.7084 -7.6957 -7.6957 -7.2333 -7.2333 -5.4657 -5.4657 -5.3346 -5.3346 -5.3211 -5.3211 -1.0798 -1.0798 -0.8073 -0.8073 -0.3486 -0.3486 0.5326 0.5326 0.7376 0.7376 0.9217 0.9217 1.0614 1.0614 2.7476 2.7476 2.8004 2.8004 2.8775 2.8775 3.0988 3.0988 4.1397 4.1397 4.5196 4.5196 4.6179 4.6179 5.5872 5.5872 5.9366 5.9366 5.9739 5.9739 8.6662 8.6662 9.8487 9.8487 10.0416 10.0416 10.8855 10.8855 11.1291 11.1291 11.1765 11.1765 k = 0.2031 0.1539-0.0000 ( 4956 PWs) bands (ev): -8.3589 -8.3589 -8.3392 -8.3392 -8.2493 -8.2493 -8.1838 -8.1838 -7.9759 -7.9759 -7.8480 -7.8480 -7.7631 -7.7631 -7.7433 -7.7433 -7.7085 -7.7085 -7.6955 -7.6955 -7.2069 -7.2069 -5.5045 -5.5045 -5.3362 -5.3362 -5.3232 -5.3232 -1.0820 -1.0820 -0.8085 -0.8085 -0.3279 -0.3279 0.5050 0.5050 0.7345 0.7345 0.9281 0.9281 1.0693 1.0693 2.7757 2.7757 2.8269 2.8269 2.8653 2.8653 3.1418 3.1418 4.1598 4.1598 4.5436 4.5436 4.6413 4.6413 5.5352 5.5352 5.8970 5.8970 5.9353 5.9353 8.7398 8.7398 9.8438 9.8438 10.0715 10.0715 10.8155 10.8155 11.0248 11.0248 11.0756 11.0756 k = 0.2188 0.1657-0.0000 ( 4964 PWs) bands (ev): -8.3586 -8.3586 -8.3379 -8.3379 -8.2515 -8.2515 -8.1857 -8.1857 -7.9735 -7.9735 -7.8512 -7.8512 -7.7614 -7.7614 -7.7450 -7.7450 -7.7085 -7.7085 -7.6953 -7.6953 -7.1788 -7.1788 -5.5453 -5.5453 -5.3379 -5.3379 -5.3253 -5.3253 -1.0837 -1.0837 -0.8104 -0.8104 -0.3069 -0.3069 0.4764 0.4764 0.7310 0.7310 0.9354 0.9354 1.0795 1.0795 2.8045 2.8045 2.8433 2.8433 2.8629 2.8629 3.1863 3.1863 4.1799 4.1799 4.5686 4.5686 4.6652 4.6652 5.4844 5.4844 5.8561 5.8561 5.8956 5.8956 8.8131 8.8131 9.8377 9.8377 10.0968 10.0968 10.7541 10.7541 10.9214 10.9214 10.9753 10.9753 k = 0.2344 0.1775-0.0000 ( 4964 PWs) bands (ev): -8.3583 -8.3583 -8.3367 -8.3367 -8.2537 -8.2537 -8.1877 -8.1877 -7.9709 -7.9709 -7.8543 -7.8543 -7.7598 -7.7598 -7.7465 -7.7465 -7.7085 -7.7085 -7.6952 -7.6952 -7.1492 -7.1492 -5.5880 -5.5880 -5.3395 -5.3395 -5.3273 -5.3273 -1.0850 -1.0850 -0.8129 -0.8129 -0.2860 -0.2860 0.4474 0.4475 0.7269 0.7269 0.9429 0.9429 1.0925 1.0925 2.8226 2.8226 2.8427 2.8427 2.8892 2.8892 3.2314 3.2314 4.2001 4.2001 4.5943 4.5943 4.6894 4.6894 5.4357 5.4357 5.8142 5.8142 5.8550 5.8550 8.8849 8.8849 9.8306 9.8306 10.1150 10.1150 10.7039 10.7039 10.8199 10.8199 10.8767 10.8767 k = 0.2500 0.1894-0.0000 ( 4944 PWs) bands (ev): -8.3578 -8.3578 -8.3354 -8.3354 -8.2557 -8.2557 -8.1898 -8.1898 -7.9682 -7.9682 -7.8575 -7.8575 -7.7582 -7.7582 -7.7478 -7.7478 -7.7085 -7.7085 -7.6952 -7.6952 -7.1181 -7.1181 -5.6323 -5.6323 -5.3412 -5.3412 -5.3294 -5.3294 -1.0859 -1.0859 -0.8158 -0.8158 -0.2653 -0.2653 0.4183 0.4183 0.7223 0.7223 0.9503 0.9503 1.1086 1.1086 2.8085 2.8085 2.8710 2.8710 2.9195 2.9195 3.2762 3.2762 4.2200 4.2200 4.6203 4.6203 4.7136 4.7136 5.3894 5.3894 5.7718 5.7718 5.8142 5.8142 8.9538 8.9538 9.8233 9.8233 10.1233 10.1233 10.6651 10.6651 10.7222 10.7222 10.7819 10.7819 k = 0.2656 0.2012-0.0000 ( 4936 PWs) bands (ev): -8.3573 -8.3573 -8.3342 -8.3342 -8.2576 -8.2576 -8.1921 -8.1921 -7.9653 -7.9653 -7.8607 -7.8607 -7.7568 -7.7568 -7.7490 -7.7490 -7.7084 -7.7084 -7.6952 -7.6952 -7.0855 -7.0855 -5.6780 -5.6780 -5.3428 -5.3428 -5.3315 -5.3315 -1.0864 -1.0864 -0.8192 -0.8192 -0.2451 -0.2451 0.3894 0.3894 0.7172 0.7172 0.9570 0.9570 1.1282 1.1282 2.7897 2.7897 2.9034 2.9034 2.9509 2.9509 3.3199 3.3199 4.2395 4.2395 4.6465 4.6465 4.7372 4.7372 5.3461 5.3461 5.7292 5.7292 5.7735 5.7735 9.0180 9.0180 9.8167 9.8167 10.1203 10.1203 10.6152 10.6152 10.6436 10.6436 10.7009 10.7009 k = 0.2812 0.2131-0.0000 ( 4932 PWs) bands (ev): -8.3568 -8.3568 -8.3331 -8.3331 -8.2593 -8.2593 -8.1945 -8.1945 -7.9622 -7.9622 -7.8640 -7.8640 -7.7555 -7.7555 -7.7500 -7.7500 -7.7083 -7.7083 -7.6952 -7.6952 -7.0515 -7.0515 -5.7250 -5.7250 -5.3444 -5.3444 -5.3336 -5.3336 -1.0866 -1.0866 -0.8229 -0.8229 -0.2254 -0.2254 0.3607 0.3608 0.7118 0.7118 0.9628 0.9628 1.1510 1.1510 2.7695 2.7695 2.9368 2.9368 2.9828 2.9828 3.3621 3.3621 4.2583 4.2583 4.6724 4.6724 4.7601 4.7601 5.3061 5.3061 5.6869 5.6869 5.7334 5.7334 9.0754 9.0754 9.8128 9.8128 10.1064 10.1064 10.5280 10.5280 10.5741 10.5741 10.6701 10.6701 k = 0.2969 0.2249-0.0000 ( 4928 PWs) bands (ev): -8.3562 -8.3562 -8.3321 -8.3321 -8.2608 -8.2608 -8.1970 -8.1970 -7.9590 -7.9590 -7.8672 -7.8672 -7.7544 -7.7544 -7.7508 -7.7508 -7.7082 -7.7082 -7.6953 -7.6953 -7.0162 -7.0162 -5.7730 -5.7730 -5.3460 -5.3460 -5.3356 -5.3356 -1.0865 -1.0865 -0.8268 -0.8268 -0.2063 -0.2063 0.3327 0.3327 0.7062 0.7062 0.9676 0.9676 1.1767 1.1767 2.7485 2.7485 2.9706 2.9706 3.0149 3.0149 3.4022 3.4022 4.2765 4.2765 4.6978 4.6978 4.7816 4.7817 5.2698 5.2698 5.6453 5.6453 5.6945 5.6945 9.1235 9.1235 9.8137 9.8137 10.0843 10.0843 10.4409 10.4409 10.4899 10.4899 10.6742 10.6742 k = 0.3125 0.2367-0.0000 ( 4952 PWs) bands (ev): -8.3556 -8.3556 -8.3313 -8.3313 -8.2622 -8.2622 -8.1995 -8.1995 -7.9558 -7.9558 -7.8706 -7.8706 -7.7538 -7.7538 -7.7512 -7.7512 -7.7081 -7.7081 -7.6955 -7.6955 -6.9796 -6.9796 -5.8219 -5.8219 -5.3476 -5.3476 -5.3376 -5.3376 -1.0861 -1.0861 -0.8309 -0.8309 -0.1879 -0.1879 0.3053 0.3053 0.7005 0.7005 0.9715 0.9715 1.2050 1.2050 2.7268 2.7268 3.0044 3.0044 3.0468 3.0468 3.4398 3.4398 4.2938 4.2938 4.7222 4.7222 4.8016 4.8016 5.2374 5.2374 5.6049 5.6049 5.6573 5.6573 9.1598 9.1598 9.8222 9.8222 10.0568 10.0568 10.3585 10.3585 10.4063 10.4063 10.6905 10.6905 k = 0.3281 0.2486-0.0000 ( 4952 PWs) bands (ev): -8.3549 -8.3549 -8.3306 -8.3306 -8.2634 -8.2634 -8.2020 -8.2020 -7.9524 -7.9524 -7.8739 -7.8739 -7.7540 -7.7540 -7.7508 -7.7508 -7.7079 -7.7079 -7.6957 -7.6957 -6.9418 -6.9418 -5.8714 -5.8714 -5.3490 -5.3490 -5.3394 -5.3394 -1.0854 -1.0854 -0.8351 -0.8351 -0.1702 -0.1702 0.2787 0.2787 0.6949 0.6949 0.9747 0.9747 1.2352 1.2352 2.7047 2.7047 3.0381 3.0381 3.0783 3.0783 3.4744 3.4744 4.3101 4.3101 4.7453 4.7453 4.8194 4.8194 5.2090 5.2090 5.5662 5.5662 5.6223 5.6223 9.1826 9.1826 9.8402 9.8402 10.0266 10.0266 10.2819 10.2819 10.3264 10.3264 10.7124 10.7124 k = 0.3438 0.2604-0.0000 ( 4960 PWs) bands (ev): -8.3543 -8.3543 -8.3299 -8.3299 -8.2643 -8.2643 -8.2045 -8.2045 -7.9490 -7.9490 -7.8773 -7.8773 -7.7545 -7.7545 -7.7501 -7.7501 -7.7077 -7.7077 -7.6959 -7.6959 -6.9028 -6.9028 -5.9215 -5.9215 -5.3504 -5.3504 -5.3413 -5.3412 -1.0846 -1.0846 -0.8392 -0.8392 -0.1532 -0.1532 0.2531 0.2531 0.6894 0.6894 0.9772 0.9772 1.2666 1.2666 2.6823 2.6823 3.0711 3.0711 3.1089 3.1089 3.5058 3.5058 4.3254 4.3254 4.7666 4.7666 4.8349 4.8349 5.1847 5.1847 5.5297 5.5297 5.5902 5.5902 9.1919 9.1919 9.8680 9.8680 9.9951 9.9951 10.2122 10.2122 10.2512 10.2512 10.7361 10.7361 k = 0.3594 0.2722-0.0000 ( 4980 PWs) bands (ev): -8.3536 -8.3536 -8.3295 -8.3295 -8.2650 -8.2650 -8.2070 -8.2070 -7.9455 -7.9455 -7.8807 -7.8807 -7.7550 -7.7550 -7.7493 -7.7493 -7.7074 -7.7074 -7.6962 -7.6962 -6.8628 -6.8628 -5.9719 -5.9719 -5.3516 -5.3516 -5.3430 -5.3430 -1.0837 -1.0837 -0.8432 -0.8432 -0.1369 -0.1369 0.2285 0.2285 0.6842 0.6842 0.9792 0.9792 1.2986 1.2986 2.6599 2.6599 3.1031 3.1031 3.1383 3.1383 3.5338 3.5338 4.3397 4.3397 4.7860 4.7860 4.8477 4.8477 5.1642 5.1642 5.4959 5.4959 5.5612 5.5612 9.1896 9.1896 9.9035 9.9035 9.9633 9.9633 10.1508 10.1508 10.1818 10.1818 10.7591 10.7591 k = 0.3750 0.2841-0.0000 ( 4980 PWs) bands (ev): -8.3529 -8.3529 -8.3292 -8.3292 -8.2655 -8.2655 -8.2094 -8.2094 -7.9419 -7.9419 -7.8841 -7.8841 -7.7556 -7.7556 -7.7486 -7.7486 -7.7072 -7.7072 -7.6964 -7.6964 -6.8218 -6.8218 -6.0224 -6.0224 -5.3528 -5.3528 -5.3445 -5.3445 -1.0826 -1.0826 -0.8471 -0.8471 -0.1212 -0.1212 0.2050 0.2050 0.6794 0.6794 0.9808 0.9808 1.3304 1.3304 2.6378 2.6379 3.1337 3.1337 3.1660 3.1660 3.5583 3.5583 4.3527 4.3527 4.8029 4.8029 4.8577 4.8577 5.1473 5.1473 5.4652 5.4652 5.5359 5.5359 9.1785 9.1785 9.9307 9.9307 9.9422 9.9422 10.0997 10.0997 10.1203 10.1203 10.7795 10.7795 k = 0.3906 0.2959-0.0000 ( 4964 PWs) bands (ev): -8.3522 -8.3522 -8.3289 -8.3289 -8.2658 -8.2658 -8.2116 -8.2116 -7.9383 -7.9383 -7.8876 -7.8876 -7.7560 -7.7560 -7.7479 -7.7479 -7.7068 -7.7068 -7.6967 -7.6967 -6.7799 -6.7799 -6.0729 -6.0729 -5.3538 -5.3538 -5.3460 -5.3460 -1.0815 -1.0815 -0.8507 -0.8507 -0.1062 -0.1062 0.1828 0.1828 0.6750 0.6750 0.9821 0.9821 1.3613 1.3613 2.6165 2.6165 3.1625 3.1625 3.1916 3.1916 3.5793 3.5793 4.3646 4.3646 4.8173 4.8173 4.8649 4.8649 5.1339 5.1339 5.4380 5.4380 5.5144 5.5144 9.1618 9.1618 9.8991 9.8991 9.9699 9.9699 10.0532 10.0532 10.0833 10.0833 10.7960 10.7960 k = 0.4062 0.3077-0.0000 ( 4956 PWs) bands (ev): -8.3515 -8.3515 -8.3288 -8.3288 -8.2659 -8.2659 -8.2136 -8.2136 -7.9346 -7.9346 -7.8910 -7.8910 -7.7564 -7.7564 -7.7473 -7.7473 -7.7065 -7.7065 -7.6969 -7.6969 -6.7373 -6.7373 -6.1230 -6.1230 -5.3548 -5.3548 -5.3472 -5.3472 -1.0805 -1.0805 -0.8539 -0.8539 -0.0918 -0.0918 0.1619 0.1619 0.6710 0.6710 0.9831 0.9831 1.3904 1.3904 2.5964 2.5964 3.1890 3.1890 3.2146 3.2146 3.5968 3.5968 4.3752 4.3752 4.8290 4.8290 4.8696 4.8696 5.1234 5.1234 5.4147 5.4147 5.4968 5.4968 9.1425 9.1425 9.8678 9.8678 9.9683 9.9683 10.0046 10.0046 10.0946 10.0946 10.8077 10.8077 k = 0.4219 0.3196-0.0000 ( 4952 PWs) bands (ev): -8.3509 -8.3509 -8.3288 -8.3288 -8.2659 -8.2659 -8.2155 -8.2155 -7.9309 -7.9309 -7.8945 -7.8945 -7.7567 -7.7567 -7.7468 -7.7468 -7.7062 -7.7062 -7.6972 -7.6972 -6.6944 -6.6944 -6.1725 -6.1725 -5.3555 -5.3555 -5.3483 -5.3483 -1.0795 -1.0795 -0.8568 -0.8568 -0.0782 -0.0782 0.1426 0.1426 0.6676 0.6676 0.9838 0.9838 1.4170 1.4170 2.5779 2.5779 3.2128 3.2128 3.2347 3.2347 3.6111 3.6111 4.3844 4.3844 4.8380 4.8380 4.8721 4.8721 5.1154 5.1154 5.3953 5.3953 5.4828 5.4828 9.1228 9.1228 9.8383 9.8383 9.9488 9.9488 9.9619 9.9619 10.1318 10.1318 10.8146 10.8146 k = 0.4375 0.3314-0.0000 ( 4944 PWs) bands (ev): -8.3503 -8.3503 -8.3288 -8.3288 -8.2658 -8.2658 -8.2171 -8.2171 -7.9272 -7.9272 -7.8980 -7.8980 -7.7570 -7.7570 -7.7464 -7.7464 -7.7059 -7.7059 -7.6975 -7.6975 -6.6515 -6.6515 -6.2208 -6.2208 -5.3562 -5.3562 -5.3493 -5.3493 -1.0786 -1.0786 -0.8593 -0.8593 -0.0655 -0.0655 0.1251 0.1251 0.6647 0.6647 0.9844 0.9844 1.4402 1.4402 2.5616 2.5616 3.2334 3.2334 3.2514 3.2514 3.6223 3.6223 4.3921 4.3921 4.8446 4.8446 4.8730 4.8730 5.1096 5.1096 5.3798 5.3798 5.4722 5.4722 9.1046 9.1046 9.8120 9.8120 9.9225 9.9225 9.9327 9.9327 10.1730 10.1730 10.8171 10.8171 k = 0.4531 0.3432-0.0000 ( 4940 PWs) bands (ev): -8.3499 -8.3499 -8.3288 -8.3288 -8.2657 -8.2657 -8.2184 -8.2184 -7.9235 -7.9235 -7.9016 -7.9016 -7.7572 -7.7572 -7.7461 -7.7461 -7.7056 -7.7056 -7.6977 -7.6977 -6.6095 -6.6095 -6.2670 -6.2670 -5.3567 -5.3567 -5.3500 -5.3500 -1.0779 -1.0779 -0.8613 -0.8613 -0.0541 -0.0541 0.1099 0.1099 0.6625 0.6625 0.9849 0.9849 1.4593 1.4593 2.5482 2.5482 3.2505 3.2505 3.2643 3.2643 3.6307 3.6307 4.3982 4.3982 4.8490 4.8490 4.8730 4.8730 5.1055 5.1055 5.3682 5.3682 5.4645 5.4645 9.0892 9.0892 9.7903 9.7903 9.8948 9.8948 9.9161 9.9161 10.2105 10.2105 10.8162 10.8162 k = 0.4688 0.3551-0.0000 ( 4952 PWs) bands (ev): -8.3496 -8.3496 -8.3289 -8.3289 -8.2656 -8.2656 -8.2194 -8.2194 -7.9199 -7.9199 -7.9052 -7.9052 -7.7574 -7.7574 -7.7459 -7.7459 -7.7055 -7.7055 -7.6979 -7.6979 -6.5705 -6.5705 -6.3091 -6.3091 -5.3570 -5.3570 -5.3505 -5.3505 -1.0773 -1.0773 -0.8627 -0.8627 -0.0446 -0.0446 0.0977 0.0977 0.6609 0.6609 0.9851 0.9851 1.4735 1.4735 2.5381 2.5381 3.2636 3.2636 3.2732 3.2732 3.6366 3.6366 4.4026 4.4026 4.8516 4.8516 4.8725 4.8726 5.1028 5.1028 5.3601 5.3601 5.4594 5.4594 9.0775 9.0775 9.7741 9.7741 9.8743 9.8743 9.9047 9.9047 10.2403 10.2403 10.8135 10.8135 k = 0.4844 0.3669-0.0000 ( 4952 PWs) bands (ev): -8.3494 -8.3494 -8.3290 -8.3290 -8.2655 -8.2655 -8.2200 -8.2200 -7.9163 -7.9163 -7.9088 -7.9088 -7.7575 -7.7575 -7.7458 -7.7458 -7.7053 -7.7053 -7.6980 -7.6980 -6.5392 -6.5392 -6.3423 -6.3423 -5.3572 -5.3572 -5.3509 -5.3509 -1.0770 -1.0770 -0.8636 -0.8636 -0.0382 -0.0382 0.0896 0.0896 0.6599 0.6599 0.9853 0.9853 1.4823 1.4823 2.5318 2.5318 3.2725 3.2725 3.2777 3.2777 3.6400 3.6400 4.4054 4.4054 4.8530 4.8530 4.8721 4.8721 5.1013 5.1013 5.3554 5.3554 5.4565 5.4565 9.0703 9.0703 9.7641 9.7641 9.8619 9.8619 9.8980 9.8980 10.2595 10.2595 10.8108 10.8108 k = 0.5000 0.3788-0.0000 ( 4952 PWs) bands (ev): -8.3493 -8.3493 -8.3290 -8.3290 -8.2654 -8.2654 -8.2202 -8.2202 -7.9134 -7.9134 -7.9116 -7.9116 -7.7575 -7.7575 -7.7458 -7.7458 -7.7053 -7.7053 -7.6980 -7.6980 -6.5260 -6.5260 -6.3560 -6.3560 -5.3573 -5.3573 -5.3510 -5.3510 -1.0769 -1.0769 -0.8639 -0.8639 -0.0359 -0.0359 0.0867 0.0867 0.6595 0.6595 0.9854 0.9854 1.4853 1.4853 2.5297 2.5297 3.2761 3.2761 3.2786 3.2786 3.6411 3.6411 4.4063 4.4063 4.8534 4.8534 4.8719 4.8719 5.1008 5.1008 5.3538 5.3538 5.4556 5.4556 9.0678 9.0678 9.7608 9.7608 9.8577 9.8577 9.8957 9.8957 10.2661 10.2661 10.8097 10.8097 k = 0.5000 0.3788-0.0000 ( 4952 PWs) bands (ev): -8.3493 -8.3493 -8.3290 -8.3290 -8.2654 -8.2654 -8.2202 -8.2202 -7.9134 -7.9134 -7.9116 -7.9116 -7.7575 -7.7575 -7.7458 -7.7458 -7.7053 -7.7053 -7.6980 -7.6980 -6.5260 -6.5260 -6.3560 -6.3560 -5.3573 -5.3573 -5.3510 -5.3510 -1.0769 -1.0769 -0.8639 -0.8639 -0.0359 -0.0359 0.0867 0.0867 0.6595 0.6595 0.9854 0.9854 1.4853 1.4853 2.5297 2.5297 3.2761 3.2761 3.2786 3.2786 3.6411 3.6411 4.4063 4.4063 4.8534 4.8534 4.8719 4.8719 5.1008 5.1008 5.3538 5.3538 5.4556 5.4556 9.0678 9.0678 9.7608 9.7608 9.8577 9.8577 9.8957 9.8957 10.2661 10.2661 10.8097 10.8097 k = 0.4915 0.3900 0.0141 ( 4956 PWs) bands (ev): -8.3509 -8.3477 -8.3303 -8.3277 -8.2681 -8.2628 -8.2225 -8.2179 -7.9162 -7.9134 -7.9118 -7.9087 -7.7580 -7.7571 -7.7465 -7.7450 -7.7054 -7.7052 -7.6984 -7.6977 -6.5262 -6.5249 -6.3564 -6.3549 -5.3582 -5.3577 -5.3518 -5.3511 -1.0804 -1.0730 -0.8754 -0.8534 -0.0559 -0.0150 0.0773 0.0988 0.6535 0.6668 0.9782 0.9929 1.4805 1.4898 2.5200 2.5310 3.2731 3.2786 3.2795 3.2828 3.6392 3.6422 4.4045 4.4056 4.8423 4.8579 4.8676 4.8713 5.0958 5.1075 5.3494 5.3621 5.4558 5.4579 9.0707 9.0710 9.7364 9.7820 9.8442 9.8528 9.8959 9.9288 10.2649 10.2720 10.8047 10.8225 k = 0.4830 0.4012 0.0281 ( 4956 PWs) bands (ev): -8.3525 -8.3461 -8.3314 -8.3263 -8.2709 -8.2602 -8.2248 -8.2156 -7.9197 -7.9142 -7.9110 -7.9054 -7.7586 -7.7567 -7.7473 -7.7442 -7.7055 -7.7051 -7.6987 -7.6973 -6.5254 -6.5227 -6.3559 -6.3529 -5.3609 -5.3599 -5.3530 -5.3513 -1.0835 -1.0690 -0.8879 -0.8441 -0.0744 0.0056 0.0709 0.1135 0.6487 0.6752 0.9713 1.0008 1.4756 1.4942 2.5024 2.5238 3.2702 3.2791 3.2846 3.2934 3.6365 3.6425 4.4003 4.4026 4.8231 4.8522 4.8611 4.8680 5.0939 5.1150 5.3488 5.3709 5.4587 5.4649 9.0794 9.0801 9.7117 9.7986 9.8171 9.8529 9.9258 9.9689 10.2682 10.2825 10.8074 10.8431 k = 0.4745 0.4124 0.0422 ( 4948 PWs) bands (ev): -8.3541 -8.3446 -8.3325 -8.3248 -8.2737 -8.2576 -8.2270 -8.2133 -7.9233 -7.9149 -7.9101 -7.9021 -7.7592 -7.7564 -7.7480 -7.7434 -7.7055 -7.7049 -7.6991 -7.6970 -6.5237 -6.5196 -6.3547 -6.3502 -5.3663 -5.3651 -5.3534 -5.3508 -1.0863 -1.0646 -0.9009 -0.8363 -0.0909 0.0238 0.0687 0.1311 0.6453 0.6847 0.9645 1.0091 1.4706 1.4984 2.4778 2.5084 3.2663 3.2788 3.2949 3.3080 3.6331 3.6420 4.3938 4.3971 4.7959 4.8322 4.8538 4.8665 5.0966 5.1237 5.3494 5.3757 5.4653 5.4797 9.0941 9.0950 9.6891 9.7862 9.8197 9.8596 9.9663 10.0114 10.2760 10.2980 10.8179 10.8713 k = 0.4660 0.4236 0.0562 ( 4956 PWs) bands (ev): -8.3557 -8.3432 -8.3336 -8.3232 -8.2766 -8.2552 -8.2293 -8.2110 -7.9270 -7.9156 -7.9093 -7.8989 -7.7599 -7.7561 -7.7487 -7.7427 -7.7056 -7.7048 -7.6994 -7.6966 -6.5211 -6.5157 -6.3527 -6.3467 -5.3742 -5.3730 -5.3530 -5.3497 -1.0887 -1.0602 -0.9144 -0.8298 -0.1054 0.0352 0.0743 0.1517 0.6433 0.6953 0.9579 1.0178 1.4658 1.5025 2.4474 2.4858 3.2613 3.2776 3.3094 3.3258 3.6293 3.6408 4.3850 4.3891 4.7624 4.8026 4.8453 4.8642 5.1040 5.1340 5.3477 5.3747 5.4772 5.5024 9.1143 9.1155 9.6701 9.7635 9.8376 9.8721 10.0120 10.0547 10.2886 10.3187 10.8364 10.9074 k = 0.4576 0.4348 0.0703 ( 4958 PWs) bands (ev): -8.3572 -8.3419 -8.3344 -8.3215 -8.2795 -8.2528 -8.2316 -8.2087 -7.9308 -7.9162 -7.9084 -7.8957 -7.7607 -7.7560 -7.7493 -7.7420 -7.7057 -7.7047 -7.6998 -7.6963 -6.5177 -6.5109 -6.3499 -6.3423 -5.3845 -5.3831 -5.3523 -5.3482 -1.0906 -1.0556 -0.9282 -0.8248 -0.1176 0.0388 0.0880 0.1750 0.6428 0.7069 0.9512 1.0270 1.4613 1.5066 2.4122 2.4569 3.2554 3.2756 3.3268 3.3458 3.6251 3.6390 4.3739 4.3788 4.7245 4.7668 4.8352 4.8598 5.1148 5.1456 5.3422 5.3695 5.4948 5.5306 9.1398 9.1412 9.6556 9.7447 9.8585 9.8896 10.0598 10.0979 10.3065 10.3450 10.8631 10.9513 k = 0.4491 0.4460 0.0844 ( 4958 PWs) bands (ev): -8.3586 -8.3410 -8.3351 -8.3196 -8.2824 -8.2504 -8.2338 -8.2065 -7.9347 -7.9168 -7.9076 -7.8927 -7.7615 -7.7559 -7.7499 -7.7413 -7.7057 -7.7046 -7.7001 -7.6959 -6.5136 -6.5053 -6.3463 -6.3372 -5.3968 -5.3954 -5.3512 -5.3464 -1.0920 -1.0509 -0.9419 -0.8212 -0.1278 0.0393 0.1051 0.2003 0.6439 0.7195 0.9445 1.0364 1.4576 1.5111 2.3733 2.4229 3.2484 3.2727 3.3460 3.3669 3.6210 3.6369 4.3603 4.3659 4.6842 4.7280 4.8232 4.8530 5.1274 5.1575 5.3343 5.3626 5.5172 5.5616 9.1704 9.1718 9.6460 9.7305 9.8828 9.9118 10.1066 10.1402 10.3308 10.3771 10.8979 11.0030 k = 0.4406 0.4572 0.0984 ( 4970 PWs) bands (ev): -8.3601 -8.3405 -8.3354 -8.3176 -8.2853 -8.2482 -8.2359 -8.2043 -7.9386 -7.9173 -7.9067 -7.8897 -7.7624 -7.7559 -7.7503 -7.7406 -7.7058 -7.7045 -7.7004 -7.6956 -6.5089 -6.4992 -6.3419 -6.3312 -5.4110 -5.4094 -5.3498 -5.3442 -1.0930 -1.0462 -0.9555 -0.8189 -0.1360 0.0394 0.1228 0.2268 0.6466 0.7331 0.9377 1.0460 1.4549 1.5161 2.3316 2.3846 3.2403 3.2687 3.3657 3.3883 3.6171 3.6347 4.3437 4.3501 4.6437 4.6887 4.8089 4.8433 5.1394 5.1667 5.3272 5.3566 5.5426 5.5939 9.2054 9.2068 9.6414 9.7209 9.9107 9.9382 10.1496 10.1808 10.3628 10.4151 10.9412 11.0625 k = 0.4321 0.4684 0.1125 ( 4970 PWs) bands (ev): -8.3614 -8.3406 -8.3351 -8.3155 -8.2882 -8.2462 -8.2379 -8.2021 -7.9425 -7.9178 -7.9059 -7.8868 -7.7634 -7.7560 -7.7507 -7.7400 -7.7059 -7.7044 -7.7007 -7.6953 -6.5038 -6.4927 -6.3366 -6.3243 -5.4267 -5.4251 -5.3481 -5.3418 -1.0934 -1.0415 -0.9687 -0.8178 -0.1425 0.0400 0.1402 0.2533 0.6508 0.7478 0.9306 1.0554 1.4538 1.5220 2.2879 2.3431 3.2312 3.2638 3.3846 3.4091 3.6138 3.6329 4.3230 4.3310 4.6053 4.6510 4.7922 4.8308 5.1478 5.1695 5.3251 5.3552 5.5698 5.6262 9.2444 9.2457 9.6419 9.7161 9.9424 9.9685 10.1872 10.2184 10.4040 10.4588 10.9928 11.1298 k = 0.4236 0.4796 0.1265 ( 4970 PWs) bands (ev): -8.3627 -8.3411 -8.3345 -8.3131 -8.2912 -8.2448 -8.2394 -8.2000 -7.9465 -7.9182 -7.9050 -7.8839 -7.7643 -7.7562 -7.7509 -7.7394 -7.7060 -7.7044 -7.7009 -7.6950 -6.4985 -6.4859 -6.3305 -6.3165 -5.4438 -5.4422 -5.3461 -5.3392 -1.0933 -1.0370 -0.9813 -0.8176 -0.1474 0.0412 0.1571 0.2790 0.6565 0.7637 0.9233 1.0642 1.4550 1.5292 2.2429 2.2992 3.2211 3.2579 3.4015 3.4284 3.6116 3.6319 4.2972 4.3083 4.5716 4.6170 4.7731 4.8154 5.1492 5.1628 5.3309 5.3618 5.5978 5.6579 9.2868 9.2880 9.6472 9.7160 9.9778 10.0023 10.2199 10.2515 10.4547 10.5077 11.0527 11.2045 k = 0.4151 0.4908 0.1406 ( 4970 PWs) bands (ev): -8.3639 -8.3418 -8.3337 -8.3107 -8.2941 -8.2449 -8.2394 -8.1979 -7.9505 -7.9185 -7.9042 -7.8811 -7.7654 -7.7565 -7.7511 -7.7388 -7.7060 -7.7044 -7.7011 -7.6947 -6.4932 -6.4791 -6.3233 -6.3077 -5.4620 -5.4604 -5.3439 -5.3363 -1.0926 -1.0327 -0.9931 -0.8183 -0.1510 0.0431 0.1732 0.3029 0.6631 0.7808 0.9157 1.0719 1.4590 1.5382 2.1973 2.2536 3.2100 3.2509 3.4154 3.4452 3.6106 3.6325 4.2654 4.2816 4.5446 4.5881 4.7516 4.7973 5.1416 5.1468 5.3451 5.3778 5.6259 5.6887 9.3319 9.3333 9.6573 9.7204 10.0164 10.0393 10.2485 10.2798 10.5138 10.5613 11.1206 11.2866 k = 0.4066 0.5020 0.1546 ( 4959 PWs) bands (ev): -8.3651 -8.3426 -8.3329 -8.3080 -8.2970 -8.2464 -8.2380 -8.1959 -7.9545 -7.9188 -7.9034 -7.8784 -7.7664 -7.7567 -7.7513 -7.7382 -7.7061 -7.7044 -7.7012 -7.6944 -6.4882 -6.4727 -6.3151 -6.2979 -5.4809 -5.4793 -5.3415 -5.3331 -1.0915 -1.0292 -1.0036 -0.8195 -0.1535 0.0458 0.1884 0.3245 0.6704 0.7992 0.9079 1.0780 1.4665 1.5497 2.1514 2.2068 3.1981 3.2429 3.4253 3.4588 3.6110 3.6349 4.2279 4.2509 4.5252 4.5655 4.7280 4.7765 5.1238 5.1257 5.3663 5.4014 5.6537 5.7182 9.3790 9.3809 9.6717 9.7291 10.0578 10.0791 10.2744 10.3042 10.5796 10.6193 11.1962 11.3756 k = 0.3981 0.5132 0.1687 ( 4947 PWs) bands (ev): -8.3662 -8.3435 -8.3321 -8.3052 -8.2999 -8.2483 -8.2361 -8.1940 -7.9584 -7.9189 -7.9027 -7.8757 -7.7675 -7.7570 -7.7514 -7.7376 -7.7061 -7.7045 -7.7012 -7.6941 -6.4838 -6.4670 -6.3057 -6.2871 -5.5002 -5.4987 -5.3388 -5.3298 -1.0898 -1.0280 -1.0112 -0.8212 -0.1552 0.0491 0.2024 0.3435 0.6778 0.8184 0.9000 1.0819 1.4782 1.5641 2.1057 2.1594 3.1853 3.2339 3.4309 3.4684 3.6126 3.6393 4.1859 4.2167 4.5132 4.5496 4.7026 4.7537 5.0961 5.1031 5.3925 5.4300 5.6807 5.7462 9.4275 9.4302 9.6903 9.7420 10.1010 10.1214 10.2984 10.3256 10.6503 10.6815 11.2790 11.4713 k = 0.3896 0.5244 0.1828 ( 4931 PWs) bands (ev): -8.3672 -8.3443 -8.3313 -8.3028 -8.3023 -8.2504 -8.2341 -8.1921 -7.9624 -7.9190 -7.9020 -7.8731 -7.7685 -7.7574 -7.7515 -7.7371 -7.7062 -7.7046 -7.7012 -7.6939 -6.4804 -6.4623 -6.2950 -6.2750 -5.5197 -5.5182 -5.3359 -5.3263 -1.0878 -1.0317 -1.0130 -0.8231 -0.1562 0.0529 0.2150 0.3597 0.6847 0.8378 0.8925 1.0833 1.4945 1.5819 2.0606 2.1117 3.1719 3.2239 3.4322 3.4739 3.6150 3.6451 4.1413 4.1803 4.5078 4.5402 4.6761 4.7293 5.0653 5.0761 5.4219 5.4614 5.7069 5.7726 9.4768 9.4805 9.7127 9.7586 10.1446 10.1657 10.3216 10.3450 10.7246 10.7484 11.3682 11.5731 k = 0.3812 0.5356 0.1968 ( 4941 PWs) bands (ev): -8.3681 -8.3452 -8.3306 -8.3056 -8.2993 -8.2526 -8.2322 -8.1903 -7.9664 -7.9191 -7.9013 -7.8706 -7.7696 -7.7578 -7.7516 -7.7366 -7.7063 -7.7049 -7.7011 -7.6936 -6.4782 -6.4591 -6.2828 -6.2617 -5.5388 -5.5374 -5.3328 -5.3226 -1.0855 -1.0383 -1.0109 -0.8251 -0.1568 0.0573 0.2258 0.3734 0.6906 0.8547 0.8877 1.0821 1.5156 1.6037 2.0164 2.0643 3.1579 3.2131 3.4298 3.4754 3.6171 3.6510 4.0959 4.1429 4.5078 4.5369 4.6490 4.7041 5.0323 5.0461 5.4529 5.4941 5.7318 5.7972 9.5263 9.5312 9.7383 9.7786 10.1868 10.2114 10.3451 10.3637 10.8007 10.8209 11.4632 11.6807 k = 0.3727 0.5469 0.2109 ( 4935 PWs) bands (ev): -8.3690 -8.3460 -8.3300 -8.3083 -8.2962 -8.2549 -8.2302 -8.1886 -7.9703 -7.9190 -7.9007 -7.8681 -7.7707 -7.7581 -7.7518 -7.7361 -7.7064 -7.7051 -7.7010 -7.6934 -6.4776 -6.4577 -6.2691 -6.2471 -5.5574 -5.5559 -5.3296 -5.3188 -1.0832 -1.0447 -1.0077 -0.8271 -0.1571 0.0620 0.2345 0.3846 0.6953 0.8611 0.8931 1.0783 1.5415 1.6296 1.9733 2.0175 3.1433 3.2013 3.4242 3.4735 3.6177 3.6556 4.0517 4.1060 4.5120 4.5389 4.6226 4.6787 4.9981 5.0142 5.4845 5.5269 5.7553 5.8199 9.5757 9.5817 9.7667 9.8016 10.2258 10.2566 10.3700 10.3838 10.8774 10.8997 11.5631 11.7936 k = 0.3642 0.5581 0.2249 ( 4931 PWs) bands (ev): -8.3699 -8.3468 -8.3294 -8.3109 -8.2930 -8.2571 -8.2283 -8.1870 -7.9742 -7.9189 -7.9002 -7.8657 -7.7717 -7.7585 -7.7519 -7.7356 -7.7066 -7.7053 -7.7008 -7.6931 -6.4789 -6.4586 -6.2539 -6.2312 -5.5749 -5.5733 -5.3262 -5.3148 -1.0814 -1.0496 -1.0044 -0.8289 -0.1572 0.0669 0.2409 0.3938 0.6985 0.8566 0.9086 1.0722 1.5722 1.6594 1.9317 1.9715 3.1282 3.1886 3.4160 3.4690 3.6153 3.6576 4.0099 4.0710 4.5185 4.5452 4.5992 4.6543 4.9632 4.9813 5.5156 5.5588 5.7773 5.8405 9.6246 9.6316 9.7971 9.8269 10.2601 10.2986 10.3963 10.4095 10.9554 10.9837 11.6669 11.9110 k = 0.3557 0.5693 0.2390 ( 4925 PWs) bands (ev): -8.3706 -8.3475 -8.3288 -8.3133 -8.2897 -8.2593 -8.2264 -8.1855 -7.9780 -7.9187 -7.8998 -7.8633 -7.7727 -7.7588 -7.7521 -7.7351 -7.7068 -7.7055 -7.7006 -7.6929 -6.4824 -6.4619 -6.2370 -6.2140 -5.5912 -5.5891 -5.3226 -5.3107 -1.0808 -1.0522 -1.0010 -0.8305 -0.1573 0.0720 0.2447 0.4013 0.7002 0.8494 0.9256 1.0641 1.6074 1.6923 1.8922 1.9268 3.1127 3.1751 3.4057 3.4625 3.6089 3.6560 3.9717 4.0385 4.5226 4.5529 4.5853 4.6321 4.9284 4.9482 5.5455 5.5890 5.7976 5.8591 9.6728 9.6804 9.8287 9.8540 10.2891 10.3332 10.4266 10.4426 11.0355 11.0714 11.7734 12.0315 k = 0.3472 0.5805 0.2531 ( 4929 PWs) bands (ev): -8.3713 -8.3483 -8.3285 -8.3156 -8.2864 -8.2616 -8.2245 -8.1842 -7.9817 -7.9184 -7.8994 -7.8610 -7.7736 -7.7592 -7.7523 -7.7346 -7.7070 -7.7057 -7.7005 -7.6926 -6.4884 -6.4680 -6.2186 -6.1954 -5.6058 -5.6032 -5.3189 -5.3065 -1.0816 -1.0519 -0.9977 -0.8319 -0.1576 0.0770 0.2458 0.4073 0.7004 0.8418 0.9415 1.0546 1.6467 1.7262 1.8562 1.8841 3.0966 3.1606 3.3937 3.4546 3.5978 3.6505 3.9374 4.0091 4.5153 4.5598 4.5905 4.6145 4.8943 4.9156 5.5734 5.6168 5.8160 5.8755 9.7201 9.7281 9.8606 9.8820 10.3134 10.3589 10.4635 10.4809 11.1179 11.1615 11.8808 12.1415 k = 0.3387 0.5917 0.2671 ( 4937 PWs) bands (ev): -8.3720 -8.3490 -8.3284 -8.3175 -8.2830 -8.2638 -8.2227 -8.1829 -7.9854 -7.9181 -7.8992 -7.8587 -7.7745 -7.7595 -7.7525 -7.7342 -7.7073 -7.7059 -7.7003 -7.6924 -6.4969 -6.4769 -6.1988 -6.1756 -5.6185 -5.6152 -5.3151 -5.3022 -1.0835 -1.0494 -0.9943 -0.8331 -0.1582 0.0816 0.2442 0.4119 0.6994 0.8345 0.9556 1.0440 1.6891 1.7525 1.8284 1.8474 3.0800 3.1451 3.3803 3.4454 3.5823 3.6413 3.9068 3.9824 4.4981 4.5644 4.6034 4.6128 4.8619 4.8844 5.5988 5.6412 5.8326 5.8897 9.7664 9.7743 9.8919 9.9103 10.3347 10.3786 10.5049 10.5218 11.2020 11.2531 11.9863 12.1982 k = 0.3302 0.6029 0.2812 ( 4933 PWs) bands (ev): -8.3726 -8.3497 -8.3287 -8.3189 -8.2797 -8.2659 -8.2209 -8.1818 -7.9890 -7.9177 -7.8990 -7.8564 -7.7754 -7.7599 -7.7528 -7.7337 -7.7077 -7.7060 -7.7001 -7.6922 -6.5083 -6.4887 -6.1775 -6.1546 -5.6290 -5.6249 -5.3112 -5.2978 -1.0857 -1.0455 -0.9908 -0.8339 -0.1592 0.0855 0.2401 0.4153 0.6975 0.8278 0.9677 1.0327 1.7311 1.7490 1.8015 1.8488 3.0627 3.1285 3.3658 3.4350 3.5632 3.6295 3.8791 3.9576 4.4788 4.5590 4.6151 4.6355 4.8324 4.8554 5.6209 5.6618 5.8473 5.9017 9.8115 9.8189 9.9217 9.9382 10.3546 10.3959 10.5476 10.5634 11.2870 11.3452 12.0844 12.2403 k = 0.3217 0.6141 0.2952 ( 4929 PWs) bands (ev): -8.3731 -8.3503 -8.3295 -8.3196 -8.2765 -8.2678 -8.2191 -8.1807 -7.9925 -7.9173 -7.8988 -7.8542 -7.7761 -7.7602 -7.7530 -7.7333 -7.7080 -7.7061 -7.7000 -7.6920 -6.5224 -6.5034 -6.1550 -6.1325 -5.6372 -5.6322 -5.3072 -5.2934 -1.0875 -1.0410 -0.9870 -0.8346 -0.1609 0.0883 0.2340 0.4176 0.6951 0.8217 0.9777 1.0211 1.7218 1.7435 1.8014 1.8842 3.0446 3.1107 3.3506 3.4230 3.5425 3.6167 3.8530 3.9338 4.4601 4.5492 4.6347 4.6640 4.8074 4.8297 5.6392 5.6778 5.8602 5.9114 9.8552 9.8618 9.9494 9.9651 10.3744 10.4134 10.5889 10.6040 11.3714 11.4364 12.1657 12.2694 k = 0.3217 0.6141 0.2952 ( 4929 PWs) bands (ev): -8.3731 -8.3503 -8.3295 -8.3196 -8.2765 -8.2678 -8.2191 -8.1807 -7.9925 -7.9173 -7.8988 -7.8542 -7.7761 -7.7602 -7.7530 -7.7333 -7.7080 -7.7061 -7.7000 -7.6920 -6.5224 -6.5034 -6.1550 -6.1325 -5.6372 -5.6322 -5.3072 -5.2934 -1.0875 -1.0410 -0.9870 -0.8346 -0.1609 0.0883 0.2340 0.4176 0.6951 0.8217 0.9777 1.0211 1.7218 1.7435 1.8014 1.8842 3.0446 3.1107 3.3506 3.4230 3.5425 3.6167 3.8530 3.9338 4.4601 4.5492 4.6347 4.6640 4.8074 4.8297 5.6392 5.6778 5.8602 5.9114 9.8552 9.8618 9.9494 9.9651 10.3744 10.4134 10.5889 10.6040 11.3714 11.4364 12.1657 12.2694 k = 0.3039 0.6088 0.3018 ( 4931 PWs) bands (ev): -8.3733 -8.3506 -8.3301 -8.3198 -8.2753 -8.2683 -8.2183 -8.1802 -7.9940 -7.9177 -7.8982 -7.8531 -7.7765 -7.7603 -7.7531 -7.7331 -7.7084 -7.7060 -7.6999 -7.6919 -6.5316 -6.5131 -6.1426 -6.1205 -5.6394 -5.6338 -5.3055 -5.2915 -1.0882 -1.0386 -0.9849 -0.8348 -0.1622 0.0870 0.2319 0.4179 0.6942 0.8191 0.9813 1.0151 1.7072 1.7283 1.8244 1.9055 3.0321 3.0992 3.3413 3.4139 3.5357 3.6130 3.8439 3.9247 4.4498 4.5402 4.6438 4.6772 4.8027 4.8234 5.6423 5.6799 5.8685 5.9172 9.8752 9.8810 9.9635 9.9793 10.3851 10.4231 10.6051 10.6214 11.4138 11.4817 12.1951 12.2744 k = 0.2860 0.6036 0.3084 ( 4940 PWs) bands (ev): -8.3735 -8.3511 -8.3308 -8.3200 -8.2743 -8.2684 -8.2176 -8.1796 -7.9954 -7.9194 -7.8965 -7.8522 -7.7767 -7.7606 -7.7531 -7.7329 -7.7091 -7.7058 -7.6997 -7.6919 -6.5438 -6.5261 -6.1282 -6.1070 -5.6394 -5.6326 -5.3041 -5.2899 -1.0885 -1.0363 -0.9823 -0.8348 -0.1645 0.0815 0.2321 0.4173 0.6938 0.8165 0.9835 1.0085 1.6937 1.7120 1.8520 1.9287 3.0126 3.0824 3.3271 3.3984 3.5353 3.6140 3.8406 3.9193 4.4370 4.5244 4.6516 4.6885 4.8075 4.8261 5.6375 5.6745 5.8807 5.9254 9.8936 9.8987 9.9821 9.9982 10.3985 10.4354 10.6171 10.6363 11.4615 11.5320 12.2187 12.2722 k = 0.2681 0.5983 0.3150 ( 4941 PWs) bands (ev): -8.3736 -8.3515 -8.3314 -8.3202 -8.2737 -8.2678 -8.2170 -8.1790 -7.9966 -7.9218 -7.8942 -7.8512 -7.7769 -7.7608 -7.7530 -7.7328 -7.7098 -7.7057 -7.6994 -7.6918 -6.5580 -6.5412 -6.1132 -6.0931 -5.6368 -5.6286 -5.3032 -5.2887 -1.0884 -1.0340 -0.9792 -0.8348 -0.1675 0.0718 0.2343 0.4155 0.6941 0.8141 0.9837 1.0020 1.6833 1.6993 1.8794 1.9520 2.9874 3.0611 3.3075 3.3770 3.5410 3.6188 3.8428 3.9175 4.4235 4.5050 4.6585 4.6975 4.8186 4.8366 5.6267 5.6637 5.8938 5.9340 9.9086 9.9142 10.0066 10.0229 10.4147 10.4504 10.6267 10.6495 11.5128 11.5858 12.2358 12.2670 k = 0.2502 0.5931 0.3216 ( 4944 PWs) bands (ev): -8.3737 -8.3521 -8.3321 -8.3204 -8.2733 -8.2667 -8.2163 -8.1784 -7.9975 -7.9247 -7.8915 -7.8504 -7.7770 -7.7611 -7.7529 -7.7327 -7.7106 -7.7056 -7.6990 -7.6917 -6.5732 -6.5573 -6.0989 -6.0799 -5.6316 -5.6217 -5.3027 -5.2879 -1.0879 -1.0320 -0.9754 -0.8349 -0.1712 0.0586 0.2381 0.4125 0.6951 0.8117 0.9807 0.9969 1.6766 1.6913 1.9056 1.9743 2.9581 3.0366 3.2824 3.3504 3.5517 3.6267 3.8496 3.9187 4.4106 4.4848 4.6643 4.7043 4.8337 4.8536 5.6116 5.6488 5.9055 5.9417 9.9199 9.9268 10.0373 10.0534 10.4334 10.4678 10.6357 10.6621 11.5658 11.6413 12.2415 12.2650 k = 0.2324 0.5878 0.3282 ( 4946 PWs) bands (ev): -8.3738 -8.3528 -8.3327 -8.3207 -8.2731 -8.2655 -8.2157 -8.1779 -7.9982 -7.9279 -7.8886 -7.8497 -7.7771 -7.7614 -7.7526 -7.7326 -7.7114 -7.7056 -7.6986 -7.6917 -6.5888 -6.5738 -6.0858 -6.0682 -5.6236 -5.6121 -5.3028 -5.2876 -1.0869 -1.0303 -0.9710 -0.8349 -0.1756 0.0425 0.2429 0.4083 0.6970 0.8094 0.9746 0.9938 1.6738 1.6880 1.9301 1.9952 2.9261 3.0100 3.2520 3.3198 3.5660 3.6370 3.8601 3.9225 4.3994 4.4658 4.6692 4.7093 4.8521 4.8754 5.5937 5.6311 5.9142 5.9473 9.9288 9.9369 10.0732 10.0888 10.4544 10.4867 10.6459 10.6760 11.6189 11.6966 12.2344 12.2682 k = 0.2145 0.5825 0.3348 ( 4952 PWs) bands (ev): -8.3738 -8.3536 -8.3332 -8.3211 -8.2729 -8.2642 -8.2149 -8.1775 -7.9986 -7.9314 -7.8856 -7.8491 -7.7771 -7.7619 -7.7523 -7.7327 -7.7122 -7.7058 -7.6982 -7.6916 -6.6042 -6.5902 -6.0745 -6.0582 -5.6130 -5.6000 -5.3034 -5.2879 -1.0855 -1.0291 -0.9659 -0.8351 -0.1805 0.0243 0.2482 0.4030 0.6996 0.8070 0.9672 0.9913 1.6749 1.6894 1.9525 2.0143 2.8927 2.9824 3.2176 3.2863 3.5828 3.6487 3.8731 3.9284 4.3900 4.4488 4.6733 4.7130 4.8734 4.9004 5.5737 5.6113 5.9188 5.9501 9.9364 9.9453 10.1128 10.1277 10.4765 10.5059 10.6594 10.6932 11.6703 11.7500 12.2235 12.2687 k = 0.1966 0.5773 0.3414 ( 4949 PWs) bands (ev): -8.3737 -8.3546 -8.3335 -8.3215 -8.2725 -8.2629 -8.2140 -8.1773 -7.9987 -7.9350 -7.8827 -7.8486 -7.7769 -7.7623 -7.7518 -7.7328 -7.7129 -7.7060 -7.6977 -7.6916 -6.6191 -6.6061 -6.0651 -6.0501 -5.6001 -5.5857 -5.3047 -5.2889 -1.0837 -1.0284 -0.9601 -0.8356 -0.1857 0.0045 0.2538 0.3966 0.7030 0.8046 0.9597 0.9885 1.6798 1.6949 1.9726 2.0313 2.8591 2.9546 3.1803 3.2510 3.6009 3.6612 3.8880 3.9359 4.3822 4.4338 4.6774 4.7160 4.8970 4.9276 5.5524 5.5899 5.9191 5.9495 9.9435 9.9528 10.1547 10.1686 10.4984 10.5236 10.6786 10.7159 11.7186 11.7994 12.2133 12.2650 k = 0.1787 0.5720 0.3480 ( 4958 PWs) bands (ev): -8.3735 -8.3556 -8.3337 -8.3221 -8.2721 -8.2619 -8.2129 -8.1773 -7.9984 -7.9387 -7.8797 -7.8483 -7.7768 -7.7629 -7.7512 -7.7330 -7.7135 -7.7063 -7.6972 -7.6916 -6.6332 -6.6212 -6.0576 -6.0440 -5.5852 -5.5697 -5.3067 -5.2906 -1.0815 -1.0282 -0.9537 -0.8363 -0.1911 -0.0163 0.2594 0.3893 0.7071 0.8020 0.9528 0.9852 1.6883 1.7042 1.9902 2.0460 2.8260 2.9270 3.1416 3.2149 3.6194 3.6736 3.9039 3.9449 4.3755 4.4205 4.6822 4.7191 4.9227 4.9562 5.5303 5.5673 5.9149 5.9455 9.9507 9.9599 10.1972 10.2102 10.5184 10.5382 10.7057 10.7463 11.7623 11.8427 12.2058 12.2584 k = 0.1609 0.5667 0.3546 ( 4956 PWs) bands (ev): -8.3733 -8.3567 -8.3338 -8.3226 -8.2716 -8.2611 -8.2116 -8.1775 -7.9978 -7.9425 -7.8768 -7.8482 -7.7765 -7.7635 -7.7505 -7.7334 -7.7139 -7.7067 -7.6967 -7.6916 -6.6464 -6.6354 -6.0517 -6.0394 -5.5688 -5.5524 -5.3094 -5.2930 -1.0789 -1.0284 -0.9467 -0.8374 -0.1963 -0.0377 0.2648 0.3815 0.7118 0.7992 0.9470 0.9815 1.6998 1.7166 2.0051 2.0582 2.7944 2.9000 3.1031 3.1790 3.6373 3.6852 3.9207 3.9554 4.3689 4.4082 4.6886 4.7232 4.9498 4.9856 5.5077 5.5440 5.9068 5.9379 9.9582 9.9670 10.2390 10.2514 10.5350 10.5493 10.7418 10.7855 11.7998 11.8775 12.2028 12.2511 k = 0.1430 0.5615 0.3612 ( 4956 PWs) bands (ev): -8.3730 -8.3579 -8.3337 -8.3232 -8.2709 -8.2605 -8.2101 -8.1780 -7.9967 -7.9464 -7.8740 -7.8482 -7.7761 -7.7641 -7.7498 -7.7338 -7.7143 -7.7072 -7.6963 -7.6917 -6.6583 -6.6485 -6.0472 -6.0364 -5.5514 -5.5343 -5.3129 -5.2963 -1.0760 -1.0290 -0.9393 -0.8390 -0.2012 -0.0592 0.2701 0.3732 0.7169 0.7962 0.9424 0.9774 1.7139 1.7316 2.0172 2.0678 2.7648 2.8733 3.0667 3.1442 3.6539 3.6955 3.9381 3.9675 4.3616 4.3959 4.6971 4.7288 4.9778 5.0150 5.4851 5.5202 5.8954 5.9270 9.9659 9.9743 10.2789 10.2911 10.5475 10.5572 10.7871 10.8335 11.8298 11.9019 12.2034 12.2465 k = 0.1251 0.5562 0.3678 ( 4953 PWs) bands (ev): -8.3726 -8.3591 -8.3335 -8.3239 -8.2701 -8.2602 -8.2083 -8.1789 -7.9954 -7.9503 -7.8713 -7.8485 -7.7756 -7.7648 -7.7489 -7.7344 -7.7144 -7.7077 -7.6958 -7.6917 -6.6691 -6.6603 -6.0440 -6.0344 -5.5335 -5.5160 -5.3171 -5.3004 -1.0729 -1.0301 -0.9315 -0.8411 -0.2053 -0.0803 0.2753 0.3648 0.7223 0.7930 0.9390 0.9730 1.7300 1.7483 2.0266 2.0746 2.7380 2.8466 3.0339 3.1111 3.6687 3.7040 3.9562 3.9813 4.3528 4.3830 4.7080 4.7363 5.0061 5.0438 5.4629 5.4964 5.8815 5.9132 9.9739 9.9815 10.3158 10.3284 10.5561 10.5631 10.8406 10.8889 11.8511 11.9151 12.2012 12.2494 k = 0.1072 0.5510 0.3744 ( 4955 PWs) bands (ev): -8.3721 -8.3604 -8.3331 -8.3246 -8.2693 -8.2601 -8.2063 -8.1800 -7.9936 -7.9542 -7.8686 -7.8489 -7.7751 -7.7656 -7.7480 -7.7351 -7.7145 -7.7083 -7.6953 -7.6918 -6.6784 -6.6709 -6.0416 -6.0334 -5.5155 -5.4980 -5.3219 -5.3053 -1.0695 -1.0316 -0.9235 -0.8439 -0.2085 -0.1008 0.2803 0.3564 0.7279 0.7894 0.9368 0.9684 1.7475 1.7661 2.0334 2.0786 2.7146 2.8196 3.0063 3.0805 3.6814 3.7105 3.9748 3.9968 4.3423 4.3689 4.7211 4.7457 5.0341 5.0711 5.4417 5.4730 5.8661 5.8971 9.9818 9.9885 10.3493 10.3624 10.5611 10.5677 10.9007 10.9499 11.8632 11.9181 12.1889 12.2599 k = 0.0894 0.5457 0.3810 ( 4956 PWs) bands (ev): -8.3715 -8.3616 -8.3327 -8.3254 -8.2684 -8.2602 -8.2041 -8.1814 -7.9916 -7.9581 -7.8661 -7.8495 -7.7745 -7.7664 -7.7470 -7.7360 -7.7143 -7.7089 -7.6949 -7.6920 -6.6863 -6.6800 -6.0398 -6.0330 -5.4980 -5.4809 -5.3272 -5.3111 -1.0659 -1.0335 -0.9152 -0.8473 -0.2104 -0.1202 0.2853 0.3482 0.7337 0.7856 0.9358 0.9639 1.7655 1.7839 2.0380 2.0798 2.6956 2.7923 2.9847 3.0527 3.6918 3.7152 3.9938 4.0134 4.3302 4.3536 4.7358 4.7564 5.0611 5.0960 5.4223 5.4507 5.8505 5.8797 9.9893 9.9950 10.3790 10.3924 10.5638 10.5711 10.9652 11.0141 11.8666 11.9122 12.1654 12.2646 k = 0.0715 0.5404 0.3876 ( 4954 PWs) bands (ev): -8.3709 -8.3629 -8.3322 -8.3262 -8.2674 -8.2606 -8.2017 -8.1830 -7.9892 -7.9620 -7.8637 -7.8504 -7.7738 -7.7672 -7.7459 -7.7369 -7.7141 -7.7095 -7.6945 -7.6921 -6.6928 -6.6876 -6.0385 -6.0331 -5.4814 -5.4654 -5.3327 -5.3175 -1.0622 -1.0357 -0.9069 -0.8515 -0.2107 -0.1382 0.2903 0.3402 0.7395 0.7815 0.9358 0.9593 1.7833 1.8006 2.0411 2.0782 2.6814 2.7653 2.9696 3.0280 3.7000 3.7181 4.0128 4.0301 4.3173 4.3376 4.7508 4.7674 5.0861 5.1175 5.4053 5.4301 5.8359 5.8619 9.9962 10.0008 10.4046 10.4177 10.5652 10.5730 11.0316 11.0782 11.8624 11.8982 12.1345 12.2421 k = 0.0536 0.5352 0.3942 ( 4954 PWs) bands (ev): -8.3701 -8.3641 -8.3315 -8.3270 -8.2665 -8.2611 -8.1993 -8.1849 -7.9865 -7.9659 -7.8615 -7.8514 -7.7731 -7.7681 -7.7448 -7.7380 -7.7137 -7.7102 -7.6941 -7.6923 -6.6977 -6.6938 -6.0376 -6.0335 -5.4663 -5.4521 -5.3378 -5.3244 -1.0585 -1.0383 -0.8986 -0.8564 -0.2091 -0.1546 0.2955 0.3326 0.7453 0.7771 0.9367 0.9550 1.7998 1.8149 2.0434 2.0743 2.6727 2.7396 2.9607 3.0067 3.7063 3.7195 4.0309 4.0457 4.3049 4.3216 4.7650 4.7776 5.1082 5.1343 5.3919 5.4119 5.8238 5.8451 10.0020 10.0056 10.4259 10.4376 10.5660 10.5735 11.0962 11.1376 11.8520 11.8769 12.1049 12.1957 k = 0.0357 0.5299 0.4008 ( 4958 PWs) bands (ev): -8.3693 -8.3653 -8.3309 -8.3278 -8.2655 -8.2618 -8.1967 -8.1870 -7.9835 -7.9697 -7.8594 -7.8526 -7.7723 -7.7689 -7.7437 -7.7391 -7.7133 -7.7108 -7.6937 -7.6925 -6.7010 -6.6984 -6.0367 -6.0340 -5.4533 -5.4423 -5.3417 -5.3313 -1.0547 -1.0411 -0.8905 -0.8620 -0.2055 -0.1691 0.3008 0.3254 0.7511 0.7723 0.9384 0.9509 1.8139 1.8253 2.0462 2.0685 2.6700 2.7165 2.9572 2.9890 3.7111 3.7197 4.0470 4.0581 4.2947 4.3070 4.7770 4.7854 5.1266 5.1455 5.3828 5.3971 5.8153 5.8305 10.0066 10.0090 10.4425 10.4515 10.5667 10.5729 11.1540 11.1862 11.8379 11.8517 12.0848 12.1474 k = 0.0179 0.5247 0.4074 ( 4955 PWs) bands (ev): -8.3684 -8.3664 -8.3302 -8.3286 -8.2645 -8.2626 -8.1942 -8.1893 -7.9803 -7.9734 -7.8574 -7.8540 -7.7715 -7.7698 -7.7425 -7.7402 -7.7127 -7.7115 -7.6934 -7.6928 -6.7027 -6.7014 -6.0360 -6.0347 -5.4434 -5.4372 -5.3433 -5.3374 -1.0511 -1.0442 -0.8827 -0.8683 -0.1998 -0.1815 0.3064 0.3187 0.7567 0.7674 0.9407 0.9471 1.8245 1.8307 2.0500 2.0619 2.6733 2.6971 2.9588 2.9750 3.7146 3.7189 4.0592 4.0653 4.2889 4.2955 4.7856 4.7899 5.1403 5.1502 5.3787 5.3862 5.8115 5.8194 10.0097 10.0109 10.4540 10.4589 10.5678 10.5713 11.1982 11.2162 11.8250 11.8305 12.0782 12.1095 k = 0.0000 0.5194 0.4140 ( 4958 PWs) bands (ev): -8.3674 -8.3674 -8.3294 -8.3294 -8.2635 -8.2635 -8.1917 -8.1917 -7.9769 -7.9769 -7.8556 -7.8556 -7.7707 -7.7707 -7.7414 -7.7414 -7.7121 -7.7121 -7.6931 -7.6931 -6.7029 -6.7029 -6.0353 -6.0353 -5.4377 -5.4377 -5.3418 -5.3418 -1.0476 -1.0476 -0.8752 -0.8752 -0.1918 -0.1918 0.3123 0.3123 0.7621 0.7621 0.9437 0.9437 1.8304 1.8304 2.0554 2.0554 2.6825 2.6825 2.9648 2.9648 3.7172 3.7172 4.0657 4.0657 4.2891 4.2891 4.7900 4.7900 5.1484 5.1484 5.3799 5.3799 5.8128 5.8128 10.0111 10.0111 10.4596 10.4596 10.5695 10.5695 11.2206 11.2206 11.8208 11.8208 12.0863 12.0863 k = 0.0000 0.5194 0.4140 ( 4958 PWs) bands (ev): -8.3674 -8.3674 -8.3294 -8.3294 -8.2635 -8.2635 -8.1917 -8.1917 -7.9769 -7.9769 -7.8556 -7.8556 -7.7707 -7.7707 -7.7414 -7.7414 -7.7121 -7.7121 -7.6931 -7.6931 -6.7029 -6.7029 -6.0353 -6.0353 -5.4377 -5.4377 -5.3418 -5.3418 -1.0476 -1.0476 -0.8752 -0.8752 -0.1918 -0.1918 0.3123 0.3123 0.7621 0.7621 0.9437 0.9437 1.8304 1.8304 2.0554 2.0554 2.6825 2.6825 2.9648 2.9648 3.7172 3.7172 4.0657 4.0657 4.2891 4.2891 4.7900 4.7900 5.1484 5.1484 5.3799 5.3799 5.8128 5.8128 10.0111 10.0111 10.4596 10.4596 10.5695 10.5695 11.2206 11.2206 11.8208 11.8208 12.0863 12.0863 k = 0.0086 0.5080 0.4283 ( 4960 PWs) bands (ev): -8.3687 -8.3662 -8.3306 -8.3281 -8.2642 -8.2628 -8.1926 -8.1909 -7.9784 -7.9754 -7.8587 -7.8527 -7.7709 -7.7705 -7.7422 -7.7405 -7.7133 -7.7110 -7.6935 -7.6927 -6.7026 -6.7017 -6.0353 -6.0350 -5.4392 -5.4376 -5.3426 -5.3411 -1.0506 -1.0439 -0.8803 -0.8697 -0.1972 -0.1864 0.3092 0.3151 0.7564 0.7676 0.9389 0.9468 1.8144 1.8342 2.0507 2.0571 2.6806 2.6906 2.9620 2.9717 3.7158 3.7183 4.0615 4.0695 4.2896 4.2965 4.7893 4.7956 5.1466 5.1521 5.3790 5.3821 5.8122 5.8128 10.0070 10.0088 10.4502 10.4567 10.5643 10.5728 11.2230 11.2272 11.8162 11.8264 12.0813 12.0986 k = 0.0172 0.4966 0.4426 ( 4960 PWs) bands (ev): -8.3699 -8.3650 -8.3318 -8.3268 -8.2650 -8.2622 -8.1935 -8.1903 -7.9797 -7.9738 -7.8617 -7.8499 -7.7710 -7.7703 -7.7431 -7.7397 -7.7145 -7.7099 -7.6938 -7.6923 -6.7008 -6.6992 -6.0350 -6.0344 -5.4421 -5.4390 -5.3435 -5.3405 -1.0529 -1.0396 -0.8848 -0.8638 -0.2025 -0.1810 0.3057 0.3173 0.7503 0.7726 0.9328 0.9483 1.7876 1.8257 2.0431 2.0548 2.6849 2.7043 2.9636 2.9824 3.7142 3.7190 4.0578 4.0731 4.2979 4.3108 4.7934 4.8058 5.1467 5.1577 5.3795 5.3857 5.8107 5.8119 9.9966 10.0001 10.4303 10.4412 10.5581 10.5725 11.2344 11.2422 11.8123 11.8323 12.0835 12.1182 k = 0.0259 0.4853 0.4569 ( 4956 PWs) bands (ev): -8.3711 -8.3638 -8.3329 -8.3255 -8.2658 -8.2616 -8.1944 -8.1897 -7.9809 -7.9722 -7.8649 -7.8472 -7.7712 -7.7702 -7.7440 -7.7390 -7.7157 -7.7088 -7.6942 -7.6919 -6.6977 -6.6953 -6.0344 -6.0334 -5.4465 -5.4419 -5.3445 -5.3401 -1.0545 -1.0348 -0.8886 -0.8576 -0.2076 -0.1759 0.3019 0.3190 0.7439 0.7772 0.9256 0.9480 1.7520 1.8060 2.0321 2.0478 2.6943 2.7225 2.9701 2.9967 3.7124 3.7192 4.0562 4.0779 4.3129 4.3308 4.8020 4.8201 5.1484 5.1651 5.3813 5.3909 5.8085 5.8104 9.9801 9.9851 10.4025 10.4156 10.5502 10.5675 11.2538 11.2642 11.8087 11.8380 12.0922 12.1445 k = 0.0345 0.4739 0.4711 ( 4958 PWs) bands (ev): -8.3724 -8.3627 -8.3340 -8.3241 -8.2666 -8.2611 -8.1954 -8.1892 -7.9821 -7.9705 -7.8682 -7.8447 -7.7714 -7.7700 -7.7448 -7.7382 -7.7170 -7.7078 -7.6946 -7.6915 -6.6931 -6.6899 -6.0336 -6.0322 -5.4521 -5.4462 -5.3456 -5.3400 -1.0554 -1.0296 -0.8919 -0.8511 -0.2124 -0.1709 0.2977 0.3201 0.7373 0.7813 0.9176 0.9460 1.7096 1.7771 2.0167 2.0354 2.7072 2.7436 2.9818 3.0142 3.7105 3.7191 4.0581 4.0857 4.3334 4.3552 4.8146 4.8377 5.1516 5.1742 5.3848 5.3978 5.8054 5.8081 9.9580 9.9639 10.3687 10.3828 10.5398 10.5575 11.2798 11.2920 11.8050 11.8430 12.1053 12.1766 k = 0.0431 0.4625 0.4854 ( 4960 PWs) bands (ev): -8.3736 -8.3616 -8.3350 -8.3226 -8.2675 -8.2606 -8.1965 -8.1889 -7.9831 -7.9687 -7.8715 -7.8422 -7.7716 -7.7699 -7.7457 -7.7376 -7.7182 -7.7069 -7.6949 -7.6911 -6.6872 -6.6833 -6.0325 -6.0308 -5.4589 -5.4518 -5.3469 -5.3401 -1.0554 -1.0240 -0.8944 -0.8445 -0.2166 -0.1661 0.2934 0.3206 0.7306 0.7848 0.9092 0.9424 1.6621 1.7414 1.9962 2.0176 2.7218 2.7660 2.9988 3.0349 3.7084 3.7195 4.0650 4.0980 4.3578 4.3826 4.8306 4.8580 5.1559 5.1848 5.3901 5.4067 5.8014 5.8052 9.9306 9.9370 10.3307 10.3453 10.5263 10.5434 11.3110 11.3240 11.8006 11.8467 12.1194 12.2132 k = 0.0517 0.4511 0.4997 ( 4964 PWs) bands (ev): -8.3747 -8.3607 -8.3359 -8.3212 -8.2683 -8.2601 -8.1975 -8.1887 -7.9840 -7.9669 -7.8749 -7.8398 -7.7719 -7.7698 -7.7466 -7.7370 -7.7195 -7.7060 -7.6953 -7.6908 -6.6799 -6.6752 -6.0313 -6.0292 -5.4668 -5.4586 -5.3483 -5.3405 -1.0548 -1.0183 -0.8961 -0.8379 -0.2201 -0.1615 0.2887 0.3204 0.7239 0.7877 0.9008 0.9375 1.6112 1.7007 1.9701 1.9944 2.7362 2.7879 3.0210 3.0586 3.7069 3.7212 4.0777 4.1157 4.3851 4.4119 4.8492 4.8800 5.1610 5.1964 5.3974 5.4180 5.7966 5.8016 9.8984 9.9050 10.2897 10.3051 10.5101 10.5257 11.3457 11.3591 11.7950 11.8490 12.1300 12.2517 k = 0.0603 0.4397 0.5140 ( 4966 PWs) bands (ev): -8.3758 -8.3598 -8.3368 -8.3197 -8.2692 -8.2597 -8.1985 -8.1886 -7.9848 -7.9651 -7.8784 -7.8376 -7.7721 -7.7696 -7.7475 -7.7364 -7.7208 -7.7051 -7.6956 -7.6904 -6.6712 -6.6659 -6.0300 -6.0276 -5.4757 -5.4666 -5.3499 -5.3412 -1.0534 -1.0124 -0.8971 -0.8314 -0.2226 -0.1571 0.2837 0.3196 0.7173 0.7899 0.8926 0.9314 1.5579 1.6567 1.9386 1.9661 2.7488 2.8075 3.0478 3.0856 3.7068 3.7252 4.0967 4.1392 4.4142 4.4423 4.8697 4.9031 5.1666 5.2088 5.4070 5.4319 5.7908 5.7972 9.8622 9.8684 10.2467 10.2634 10.4915 10.5053 11.3828 11.3962 11.7882 11.8499 12.1334 12.2785 k = 0.0690 0.4284 0.5282 ( 4950 PWs) bands (ev): -8.3769 -8.3590 -8.3375 -8.3182 -8.2700 -8.2593 -8.1996 -8.1887 -7.9854 -7.9632 -7.8818 -7.8354 -7.7723 -7.7695 -7.7483 -7.7360 -7.7220 -7.7043 -7.6959 -7.6901 -6.6612 -6.6553 -6.0287 -6.0259 -5.4855 -5.4755 -5.3517 -5.3422 -1.0512 -1.0066 -0.8971 -0.8252 -0.2239 -0.1530 0.2785 0.3182 0.7109 0.7912 0.8850 0.9243 1.5034 1.6108 1.9020 1.9329 2.7582 2.8230 3.0788 3.1162 3.7091 3.7322 4.1222 4.1683 4.4442 4.4729 4.8915 4.9266 5.1725 5.2218 5.4189 5.4484 5.7842 5.7922 9.8224 9.8280 10.2028 10.2213 10.4708 10.4828 11.4212 11.4347 11.7800 11.8492 12.1293 12.2620 k = 0.0776 0.4170 0.5425 ( 4946 PWs) bands (ev): -8.3779 -8.3584 -8.3382 -8.3166 -8.2709 -8.2589 -8.2006 -8.1890 -7.9860 -7.9614 -7.8853 -7.8333 -7.7725 -7.7694 -7.7491 -7.7356 -7.7231 -7.7035 -7.6961 -7.6897 -6.6498 -6.6434 -6.0275 -6.0243 -5.4961 -5.4853 -5.3538 -5.3436 -1.0484 -1.0009 -0.8963 -0.8193 -0.2239 -0.1490 0.2728 0.3164 0.7047 0.7915 0.8782 0.9167 1.4484 1.5638 1.8611 1.8955 2.7635 2.8324 3.1136 3.1511 3.7150 3.7426 4.1540 4.2026 4.4744 4.5028 4.9140 4.9499 5.1787 5.2351 5.4331 5.4674 5.7765 5.7865 9.7796 9.7846 10.1586 10.1794 10.4483 10.4586 11.4602 11.4737 11.7704 11.8465 12.1208 12.2373 k = 0.0862 0.4056 0.5568 ( 4956 PWs) bands (ev): -8.3788 -8.3579 -8.3388 -8.3151 -8.2717 -8.2586 -8.2016 -8.1894 -7.9864 -7.9595 -7.8888 -7.8314 -7.7727 -7.7693 -7.7499 -7.7355 -7.7242 -7.7028 -7.6964 -7.6894 -6.6373 -6.6303 -6.0265 -6.0229 -5.5073 -5.4958 -5.3561 -5.3453 -1.0448 -0.9956 -0.8946 -0.8141 -0.2222 -0.1452 0.2668 0.3142 0.6990 0.7908 0.8722 0.9086 1.3937 1.5167 1.8165 1.8543 2.7641 2.8349 3.1521 3.1903 3.7249 3.7567 4.1917 4.2415 4.5039 4.5314 4.9366 4.9725 5.1851 5.2487 5.4495 5.4888 5.7680 5.7801 9.7345 9.7389 10.1152 10.1385 10.4241 10.4331 11.4992 11.5130 11.7599 11.8416 12.1112 12.2145 k = 0.0948 0.3942 0.5711 ( 4950 PWs) bands (ev): -8.3797 -8.3576 -8.3392 -8.3136 -8.2724 -8.2583 -8.2025 -8.1899 -7.9866 -7.9577 -7.8923 -7.8296 -7.7729 -7.7693 -7.7507 -7.7355 -7.7251 -7.7022 -7.6966 -7.6891 -6.6235 -6.6161 -6.0258 -6.0219 -5.5189 -5.5068 -5.3587 -5.3473 -1.0407 -0.9906 -0.8920 -0.8095 -0.2187 -0.1414 0.2605 0.3117 0.6937 0.7889 0.8670 0.9006 1.3399 1.4701 1.7690 1.8101 2.7598 2.8300 3.1943 3.2334 3.7391 3.7743 4.2347 4.2842 4.5322 4.5583 4.9589 4.9940 5.1922 5.2628 5.4675 5.5119 5.7586 5.7730 9.6875 9.6914 10.0731 10.0990 10.3983 10.4066 11.5374 11.5522 11.7490 11.8344 12.1032 12.1951 k = 0.1034 0.3828 0.5853 ( 4960 PWs) bands (ev): -8.3806 -8.3575 -8.3395 -8.3122 -8.2730 -8.2580 -8.2035 -8.1907 -7.9868 -7.9559 -7.8958 -7.8278 -7.7731 -7.7692 -7.7514 -7.7357 -7.7259 -7.7016 -7.6968 -7.6889 -6.6085 -6.6007 -6.0257 -6.0213 -5.5308 -5.5182 -5.3615 -5.3496 -1.0359 -0.9860 -0.8887 -0.8057 -0.2132 -0.1376 0.2538 0.3090 0.6890 0.7861 0.8621 0.8930 1.2877 1.4245 1.7193 1.7635 2.7508 2.8186 3.2398 3.2798 3.7577 3.7950 4.2819 4.3298 4.5590 4.5833 4.9804 5.0141 5.2003 5.2777 5.4867 5.5362 5.7485 5.7654 9.6391 9.6427 10.0330 10.0614 10.3711 10.3793 11.5738 11.5905 11.7394 11.8254 12.0983 12.1795 k = 0.1121 0.3715 0.5996 ( 4962 PWs) bands (ev): -8.3814 -8.3575 -8.3397 -8.3108 -8.2735 -8.2577 -8.2044 -8.1915 -7.9868 -7.9541 -7.8992 -7.8262 -7.7734 -7.7692 -7.7521 -7.7361 -7.7264 -7.7010 -7.6970 -7.6886 -6.5924 -6.5843 -6.0262 -6.0215 -5.5427 -5.5297 -5.3647 -5.3522 -1.0306 -0.9818 -0.8848 -0.8027 -0.2057 -0.1337 0.2468 0.3063 0.6846 0.7824 0.8568 0.8865 1.2374 1.3803 1.6681 1.7151 2.7375 2.8016 3.2880 3.3286 3.7802 3.8185 4.3320 4.3772 4.5839 4.6065 5.0006 5.0326 5.2100 5.2934 5.5063 5.5608 5.7379 5.7574 9.5899 9.5933 9.9956 10.0260 10.3425 10.3514 11.6055 11.6271 11.7348 11.8158 12.0969 12.1678 k = 0.1207 0.3601 0.6139 ( 4950 PWs) bands (ev): -8.3821 -8.3577 -8.3397 -8.3095 -8.2739 -8.2574 -8.2052 -8.1925 -7.9867 -7.9523 -7.9026 -7.8247 -7.7736 -7.7691 -7.7528 -7.7367 -7.7268 -7.7005 -7.6971 -7.6883 -6.5752 -6.5669 -6.0276 -6.0224 -5.5546 -5.5411 -5.3680 -5.3550 -1.0249 -0.9779 -0.8805 -0.8006 -0.1962 -0.1295 0.2398 0.3034 0.6806 0.7782 0.8504 0.8815 1.1898 1.3379 1.6160 1.6655 2.7208 2.7803 3.3383 3.3792 3.8064 3.8445 4.3833 4.4247 4.6072 4.6284 5.0192 5.0495 5.2218 5.3102 5.5254 5.5850 5.7270 5.7493 9.5402 9.5435 9.9611 9.9932 10.3128 10.3231 11.6265 11.6595 11.7420 11.8090 12.0987 12.1596 k = 0.1293 0.3487 0.6282 ( 4950 PWs) bands (ev): -8.3827 -8.3579 -8.3397 -8.3083 -8.2742 -8.2571 -8.2060 -8.1936 -7.9865 -7.9506 -7.9059 -7.8233 -7.7737 -7.7691 -7.7534 -7.7375 -7.7270 -7.7001 -7.6972 -7.6881 -6.5571 -6.5485 -6.0300 -6.0244 -5.5661 -5.5524 -5.3716 -5.3581 -1.0187 -0.9742 -0.8761 -0.7995 -0.1847 -0.1249 0.2327 0.3005 0.6769 0.7735 0.8423 0.8784 1.1453 1.2977 1.5635 1.6153 2.7015 2.7560 3.3897 3.4304 3.8359 3.8728 4.4333 4.4702 4.6294 4.6502 5.0362 5.0651 5.2358 5.3279 5.5430 5.6076 5.7164 5.7414 9.4905 9.4939 9.9300 9.9630 10.2825 10.2944 11.6326 11.6836 11.7655 11.8106 12.1030 12.1543 k = 0.1379 0.3373 0.6425 ( 4956 PWs) bands (ev): -8.3834 -8.3583 -8.3396 -8.3073 -8.2742 -8.2568 -8.2068 -8.1948 -7.9862 -7.9490 -7.9092 -7.8220 -7.7739 -7.7691 -7.7540 -7.7384 -7.7271 -7.6997 -7.6972 -7.6879 -6.5380 -6.5293 -6.0336 -6.0276 -5.5771 -5.5632 -5.3753 -5.3614 -1.0122 -0.9706 -0.8718 -0.7991 -0.1718 -0.1192 0.2257 0.2974 0.6733 0.7687 0.8325 0.8769 1.1045 1.2597 1.5113 1.5652 2.6803 2.7298 3.4412 3.4816 3.8684 3.9035 4.4787 4.5110 4.6522 4.6735 5.0519 5.0801 5.2522 5.3464 5.5579 5.6273 5.7069 5.7344 9.4413 9.4448 9.9024 9.9358 10.2517 10.2656 11.6286 11.6940 11.8009 11.8276 12.1091 12.1514 k = 0.1466 0.3259 0.6567 ( 4954 PWs) bands (ev): -8.3839 -8.3588 -8.3394 -8.3064 -8.2741 -8.2565 -8.2075 -8.1961 -7.9858 -7.9475 -7.9123 -7.8208 -7.7741 -7.7691 -7.7545 -7.7394 -7.7271 -7.6994 -7.6973 -7.6877 -6.5181 -6.5093 -6.0386 -6.0322 -5.5874 -5.5733 -5.3792 -5.3648 -1.0056 -0.9670 -0.8679 -0.7994 -0.1583 -0.1118 0.2189 0.2941 0.6696 0.7638 0.8212 0.8764 1.0680 1.2244 1.4598 1.5154 2.6581 2.7026 3.4920 3.5318 3.9036 3.9368 4.5159 4.5438 4.6775 4.6996 5.0671 5.0953 5.2705 5.3652 5.5689 5.6418 5.7004 5.7293 9.3929 9.3967 9.8783 9.9113 10.2209 10.2369 11.6209 11.6919 11.8426 11.8597 12.1161 12.1503 k = 0.1552 0.3146 0.6710 ( 4956 PWs) bands (ev): -8.3844 -8.3593 -8.3392 -8.3057 -8.2739 -8.2562 -8.2082 -8.1975 -7.9853 -7.9461 -7.9152 -7.8197 -7.7743 -7.7691 -7.7550 -7.7404 -7.7270 -7.6991 -7.6973 -7.6875 -6.4974 -6.4886 -6.0452 -6.0383 -5.5968 -5.5828 -5.3832 -5.3683 -0.9990 -0.9632 -0.8647 -0.8002 -0.1454 -0.1013 0.2124 0.2906 0.6657 0.7590 0.8087 0.8766 1.0360 1.1918 1.4096 1.4667 2.6355 2.6753 3.5412 3.5801 3.9414 3.9727 4.5426 4.5667 4.7063 4.7283 5.0834 5.1122 5.2904 5.3841 5.5752 5.6478 5.6992 5.7271 9.3460 9.3502 9.8576 9.8896 10.1905 10.2086 11.6127 11.6837 11.8878 11.9010 12.1236 12.1508 k = 0.1638 0.3032 0.6853 ( 4962 PWs) bands (ev): -8.3848 -8.3599 -8.3390 -8.3052 -8.2734 -8.2558 -8.2089 -8.1989 -7.9848 -7.9448 -7.9181 -7.8187 -7.7744 -7.7692 -7.7555 -7.7414 -7.7269 -7.6989 -7.6972 -7.6873 -6.4760 -6.4672 -6.0534 -6.0460 -5.6051 -5.5912 -5.3873 -5.3718 -0.9926 -0.9591 -0.8623 -0.8015 -0.1346 -0.0867 0.2061 0.2865 0.6615 0.7543 0.7953 0.8773 1.0089 1.1620 1.3612 1.4193 2.6132 2.6485 3.5879 3.6258 3.9815 4.0115 4.5592 4.5804 4.7358 4.7568 5.1026 5.1322 5.3110 5.4027 5.5763 5.6450 5.7030 5.7280 9.3010 9.3056 9.8402 9.8706 10.1608 10.1810 11.6055 11.6735 11.9349 11.9478 12.1311 12.1526 k = 0.1724 0.2918 0.6996 ( 4960 PWs) bands (ev): -8.3851 -8.3605 -8.3387 -8.3049 -8.2729 -8.2553 -8.2096 -8.2004 -7.9842 -7.9436 -7.9207 -7.8178 -7.7745 -7.7692 -7.7559 -7.7423 -7.7268 -7.6988 -7.6971 -7.6872 -6.4541 -6.4453 -6.0633 -6.0554 -5.6123 -5.5987 -5.3913 -5.3754 -0.9866 -0.9543 -0.8610 -0.8029 -0.1260 -0.0681 0.2001 0.2820 0.6567 0.7497 0.7814 0.8785 0.9866 1.1352 1.3151 1.3738 2.5918 2.6228 3.6313 3.6680 4.0235 4.0533 4.5677 4.5871 4.7615 4.7815 5.1268 5.1569 5.3319 5.4207 5.5732 5.6371 5.7078 5.7313 9.2584 9.2635 9.8259 9.8542 10.1322 10.1544 11.6001 11.6635 11.9828 11.9980 12.1385 12.1564 k = 0.1810 0.2804 0.7138 ( 4964 PWs) bands (ev): -8.3855 -8.3610 -8.3384 -8.3047 -8.2723 -8.2548 -8.2103 -8.2017 -7.9835 -7.9426 -7.9232 -7.8170 -7.7747 -7.7692 -7.7562 -7.7432 -7.7268 -7.6986 -7.6970 -7.6870 -6.4317 -6.4230 -6.0750 -6.0664 -5.6183 -5.6052 -5.3952 -5.3789 -0.9812 -0.9490 -0.8606 -0.8045 -0.1188 -0.0464 0.1943 0.2768 0.6515 0.7450 0.7679 0.8800 0.9686 1.1115 1.2719 1.3306 2.5716 2.5986 3.6709 3.7065 4.0672 4.0976 4.5704 4.5891 4.7795 4.7990 5.1572 5.1870 5.3525 5.4379 5.5668 5.6270 5.7113 5.7346 9.2189 9.2242 9.8144 9.8401 10.1052 10.1290 11.5968 11.6546 12.0296 12.0502 12.1459 12.1635 k = 0.1897 0.2690 0.7281 ( 4968 PWs) bands (ev): -8.3857 -8.3616 -8.3382 -8.3046 -8.2716 -8.2542 -8.2110 -8.2030 -7.9829 -7.9417 -7.9253 -7.8163 -7.7748 -7.7693 -7.7565 -7.7441 -7.7267 -7.6986 -7.6969 -7.6869 -6.4091 -6.4004 -6.0884 -6.0790 -5.6232 -5.6106 -5.3989 -5.3822 -0.9766 -0.9430 -0.8614 -0.8061 -0.1124 -0.0229 0.1885 0.2707 0.6458 0.7400 0.7556 0.8820 0.9544 1.0907 1.2323 1.2902 2.5532 2.5763 3.7063 3.7407 4.1120 4.1438 4.5691 4.5879 4.7885 4.8079 5.1936 5.2224 5.3723 5.4542 5.5585 5.6160 5.7128 5.7360 9.1828 9.1883 9.8053 9.8283 10.0803 10.1052 11.5954 11.6471 12.0713 12.1019 12.1548 12.1776 k = 0.1983 0.2577 0.7424 ( 4966 PWs) bands (ev): -8.3859 -8.3621 -8.3379 -8.3045 -8.2709 -8.2536 -8.2118 -8.2042 -7.9822 -7.9410 -7.9272 -7.8157 -7.7748 -7.7694 -7.7568 -7.7448 -7.7266 -7.6985 -7.6968 -7.6868 -6.3864 -6.3777 -6.1034 -6.0930 -5.6270 -5.6150 -5.4024 -5.3852 -0.9727 -0.9364 -0.8631 -0.8078 -0.1065 0.0017 0.1827 0.2639 0.6398 0.7343 0.7457 0.8845 0.9433 1.0729 1.1967 1.2529 2.5367 2.5563 3.7372 3.7706 4.1573 4.1908 4.5648 4.5845 4.7888 4.8083 5.2343 5.2618 5.3908 5.4696 5.5490 5.6050 5.7120 5.7344 9.1507 9.1561 9.7984 9.8185 10.0580 10.0832 11.5959 11.6410 12.1017 12.1406 12.1764 12.2050 k = 0.2069 0.2463 0.7567 ( 4962 PWs) bands (ev): -8.3861 -8.3625 -8.3377 -8.3046 -8.2703 -8.2529 -8.2125 -8.2051 -7.9815 -7.9406 -7.9287 -7.8152 -7.7749 -7.7694 -7.7570 -7.7455 -7.7265 -7.6985 -7.6967 -7.6867 -6.3640 -6.3550 -6.1197 -6.1080 -5.6299 -5.6185 -5.4055 -5.3880 -0.9695 -0.9295 -0.8656 -0.8095 -0.1009 0.0267 0.1768 0.2561 0.6339 0.7275 0.7389 0.8875 0.9347 1.0580 1.1658 1.2195 2.5225 2.5388 3.7635 3.7960 4.2022 4.2373 4.5587 4.5797 4.7822 4.8018 5.2768 5.3032 5.4075 5.4839 5.5387 5.5942 5.7086 5.7294 9.1229 9.1279 9.7933 9.8106 10.0387 10.0633 11.5978 11.6360 12.1189 12.1533 12.2226 12.2474 k = 0.2155 0.2349 0.7709 ( 4960 PWs) bands (ev): -8.3862 -8.3629 -8.3375 -8.3046 -8.2698 -8.2523 -8.2133 -8.2059 -7.9810 -7.9404 -7.9298 -7.8148 -7.7749 -7.7695 -7.7571 -7.7460 -7.7264 -7.6985 -7.6966 -7.6866 -6.3424 -6.3327 -6.1370 -6.1236 -5.6320 -5.6211 -5.4082 -5.3904 -0.9669 -0.9226 -0.8686 -0.8110 -0.0958 0.0512 0.1708 0.2476 0.6283 0.7208 0.7342 0.8909 0.9279 1.0459 1.1403 1.1903 2.5107 2.5240 3.7850 3.8169 4.2454 4.2815 4.5516 4.5736 4.7711 4.7904 5.3189 5.3443 5.4221 5.4969 5.5280 5.5841 5.7029 5.7211 9.0998 9.1043 9.7898 9.8043 10.0229 10.0458 11.6010 11.6320 12.1281 12.1589 12.2732 12.2984 k = 0.2241 0.2235 0.7852 ( 4954 PWs) bands (ev): -8.3863 -8.3631 -8.3374 -8.3047 -8.2694 -8.2517 -8.2139 -8.2065 -7.9805 -7.9403 -7.9306 -7.8145 -7.7749 -7.7695 -7.7573 -7.7465 -7.7264 -7.6984 -7.6966 -7.6866 -6.3221 -6.3113 -6.1547 -6.1391 -5.6334 -5.6231 -5.4104 -5.3923 -0.9649 -0.9160 -0.8721 -0.8125 -0.0914 0.0745 0.1645 0.2387 0.6236 0.7153 0.7307 0.8947 0.9225 1.0363 1.1205 1.1661 2.5016 2.5121 3.8018 3.8333 4.2851 4.3213 4.5444 4.5664 4.7580 4.7764 5.3588 5.3823 5.4341 5.5044 5.5205 5.5750 5.6957 5.7104 9.0818 9.0854 9.7876 9.7994 10.0108 10.0312 11.6048 11.6285 12.1337 12.1626 12.3218 12.3513 k = 0.2328 0.2121 0.7995 ( 4964 PWs) bands (ev): -8.3864 -8.3634 -8.3373 -8.3048 -8.2691 -8.2512 -8.2145 -8.2069 -7.9801 -7.9404 -7.9311 -7.8143 -7.7750 -7.7696 -7.7574 -7.7468 -7.7263 -7.6984 -7.6965 -7.6865 -6.3047 -6.2916 -6.1719 -6.1532 -5.6343 -5.6244 -5.4120 -5.3938 -0.9635 -0.9101 -0.8756 -0.8137 -0.0880 0.0956 0.1578 0.2304 0.6200 0.7113 0.7282 0.8986 0.9181 1.0294 1.1067 1.1477 2.4952 2.5033 3.8139 3.8451 4.3187 4.3536 4.5386 4.5581 4.7462 4.7625 5.3949 5.4140 5.4430 5.4948 5.5271 5.5667 5.6884 5.6989 9.0689 9.0715 9.7865 9.7957 10.0026 10.0198 11.6089 11.6252 12.1372 12.1652 12.3650 12.4011 k = 0.2414 0.2008 0.8138 ( 4962 PWs) bands (ev): -8.3864 -8.3635 -8.3372 -8.3048 -8.2689 -8.2509 -8.2149 -8.2071 -7.9799 -7.9405 -7.9314 -7.8142 -7.7750 -7.7696 -7.7574 -7.7470 -7.7263 -7.6984 -7.6965 -7.6865 -6.2921 -6.2759 -6.1860 -6.1637 -5.6348 -5.6252 -5.4130 -5.3947 -0.9626 -0.9057 -0.8785 -0.8144 -0.0858 0.1128 0.1505 0.2241 0.6177 0.7090 0.7267 0.9022 0.9145 1.0251 1.0988 1.1360 2.4915 2.4978 3.8211 3.8522 4.3426 4.3746 4.5362 4.5495 4.7381 4.7520 5.4261 5.4359 5.4482 5.4776 5.5374 5.5589 5.6832 5.6892 9.0614 9.0628 9.7862 9.7933 9.9980 10.0124 11.6129 11.6220 12.1392 12.1667 12.3970 12.4407 k = 0.2500 0.1894 0.8281 ( 4952 PWs) bands (ev): -8.3864 -8.3635 -8.3372 -8.3048 -8.2689 -8.2508 -8.2150 -8.2072 -7.9798 -7.9405 -7.9314 -7.8141 -7.7750 -7.7696 -7.7574 -7.7470 -7.7263 -7.6984 -7.6965 -7.6865 -6.2874 -6.2694 -6.1921 -6.1677 -5.6350 -5.6254 -5.4134 -5.3949 -0.9623 -0.9040 -0.8797 -0.8147 -0.0851 0.1210 0.1459 0.2218 0.6169 0.7082 0.7262 0.9039 0.9128 1.0237 1.0962 1.1319 2.4904 2.4959 3.8235 3.8545 4.3515 4.3818 4.5371 4.5443 4.7354 4.7479 5.4435 5.4480 5.4491 5.4614 5.5443 5.5533 5.6819 5.6848 9.0591 9.0597 9.7862 9.7924 9.9967 10.0098 11.6152 11.6200 12.1399 12.1672 12.4093 12.4574 k = 0.2500 0.1894 0.8281 ( 4952 PWs) bands (ev): -8.3864 -8.3635 -8.3372 -8.3048 -8.2689 -8.2508 -8.2150 -8.2072 -7.9798 -7.9405 -7.9314 -7.8141 -7.7750 -7.7696 -7.7574 -7.7470 -7.7263 -7.6984 -7.6965 -7.6865 -6.2874 -6.2694 -6.1921 -6.1677 -5.6350 -5.6254 -5.4134 -5.3949 -0.9623 -0.9040 -0.8797 -0.8147 -0.0851 0.1210 0.1459 0.2218 0.6169 0.7082 0.7262 0.9039 0.9128 1.0237 1.0962 1.1319 2.4904 2.4959 3.8235 3.8545 4.3515 4.3818 4.5371 4.5443 4.7354 4.7479 5.4435 5.4480 5.4491 5.4614 5.5443 5.5533 5.6819 5.6848 9.0591 9.0597 9.7862 9.7924 9.9967 10.0098 11.6152 11.6200 12.1399 12.1672 12.4093 12.4574 k = 0.2625 0.1988 0.8162 ( 4964 PWs) bands (ev): -8.3864 -8.3636 -8.3371 -8.3048 -8.2692 -8.2505 -8.2155 -8.2068 -7.9798 -7.9418 -7.9300 -7.8143 -7.7750 -7.7696 -7.7574 -7.7471 -7.7263 -7.6985 -7.6965 -7.6865 -6.2889 -6.2716 -6.1900 -6.1664 -5.6349 -5.6253 -5.4132 -5.3949 -0.9623 -0.9046 -0.8792 -0.8147 -0.0851 0.1158 0.1463 0.2234 0.6179 0.6946 0.7410 0.9040 0.9128 1.0262 1.0970 1.1334 2.4927 2.4985 3.8182 3.8488 4.3426 4.3731 4.5388 4.5476 4.7414 4.7542 5.4358 5.4439 5.4495 5.4693 5.5424 5.5569 5.6830 5.6874 9.0564 9.0571 9.7851 9.7916 10.0006 10.0140 11.6146 11.6209 12.1378 12.1649 12.4037 12.4494 k = 0.2750 0.2083 0.8043 ( 4962 PWs) bands (ev): -8.3863 -8.3637 -8.3370 -8.3047 -8.2700 -8.2495 -8.2166 -8.2057 -7.9799 -7.9445 -7.9270 -7.8147 -7.7749 -7.7695 -7.7574 -7.7472 -7.7261 -7.6986 -7.6964 -7.6865 -6.2927 -6.2770 -6.1852 -6.1634 -5.6346 -5.6250 -5.4129 -5.3947 -0.9624 -0.9064 -0.8778 -0.8149 -0.0850 0.1028 0.1454 0.2280 0.6207 0.6769 0.7624 0.9031 0.9146 1.0334 1.0993 1.1374 2.4995 2.5061 3.8027 3.8323 4.3204 4.3509 4.5406 4.5513 4.7583 4.7740 5.4213 5.4395 5.4477 5.4803 5.5401 5.5653 5.6864 5.6940 9.0481 9.0491 9.7824 9.7898 10.0121 10.0265 11.6141 11.6230 12.1317 12.1579 12.3885 12.4297 k = 0.2875 0.2178 0.7924 ( 4953 PWs) bands (ev): -8.3862 -8.3639 -8.3368 -8.3045 -8.2712 -8.2482 -8.2181 -8.2044 -7.9800 -7.9476 -7.9233 -7.8155 -7.7748 -7.7693 -7.7574 -7.7473 -7.7258 -7.6988 -7.6962 -7.6865 -6.2978 -6.2837 -6.1794 -6.1595 -5.6341 -5.6246 -5.4124 -5.3946 -0.9625 -0.9089 -0.8763 -0.8150 -0.0845 0.0853 0.1419 0.2345 0.6246 0.6623 0.7834 0.9005 0.9204 1.0437 1.1037 1.1434 2.5108 2.5183 3.7781 3.8062 4.2899 4.3198 4.5397 4.5533 4.7825 4.8032 5.4069 5.4316 5.4459 5.4905 5.5397 5.5769 5.6920 5.7034 9.0345 9.0355 9.7792 9.7874 10.0306 10.0462 11.6149 11.6261 12.1217 12.1467 12.3665 12.4038 k = 0.3000 0.2273 0.7805 ( 4959 PWs) bands (ev): -8.3860 -8.3642 -8.3366 -8.3044 -8.2725 -8.2468 -8.2198 -8.2030 -7.9801 -7.9507 -7.9194 -7.8166 -7.7747 -7.7691 -7.7574 -7.7475 -7.7255 -7.6992 -7.6960 -7.6865 -6.3033 -6.2906 -6.1735 -6.1555 -5.6335 -5.6240 -5.4118 -5.3945 -0.9629 -0.9120 -0.8749 -0.8152 -0.0833 0.0654 0.1365 0.2417 0.6273 0.6535 0.8022 0.8972 0.9303 1.0550 1.1115 1.1512 2.5261 2.5348 3.7461 3.7722 4.2531 4.2823 4.5388 4.5544 4.8093 4.8351 5.3933 5.4212 5.4447 5.4984 5.5425 5.5907 5.6994 5.7152 9.0162 9.0173 9.7762 9.7848 10.0552 10.0721 11.6174 11.6304 12.1087 12.1325 12.3405 12.3748 k = 0.3125 0.2367 0.7687 ( 4961 PWs) bands (ev): -8.3857 -8.3645 -8.3362 -8.3042 -8.2739 -8.2455 -8.2213 -8.2015 -7.9801 -7.9538 -7.9154 -7.8179 -7.7746 -7.7688 -7.7575 -7.7476 -7.7251 -7.6996 -7.6958 -7.6865 -6.3087 -6.2971 -6.1683 -6.1519 -5.6328 -5.6233 -5.4114 -5.3947 -0.9635 -0.9155 -0.8742 -0.8154 -0.0816 0.0449 0.1298 0.2487 0.6252 0.6539 0.8177 0.8942 0.9436 1.0646 1.1245 1.1610 2.5452 2.5553 3.7083 3.7323 4.2114 4.2397 4.5400 4.5561 4.8341 4.8646 5.3809 5.4101 5.4440 5.5028 5.5491 5.6055 5.7086 5.7295 8.9942 8.9956 9.7738 9.7822 10.0848 10.1028 11.6218 11.6361 12.0937 12.1166 12.3126 12.3446 k = 0.3250 0.2462 0.7568 ( 4959 PWs) bands (ev): -8.3855 -8.3648 -8.3358 -8.3040 -8.2751 -8.2445 -8.2225 -8.2002 -7.9801 -7.9567 -7.9113 -7.8195 -7.7745 -7.7685 -7.7576 -7.7476 -7.7246 -7.7000 -7.6955 -7.6866 -6.3136 -6.3029 -6.1640 -6.1490 -5.6320 -5.6225 -5.4111 -5.3952 -0.9644 -0.9194 -0.8744 -0.8155 -0.0798 0.0258 0.1228 0.2551 0.6204 0.6608 0.8299 0.8919 0.9594 1.0714 1.1433 1.1732 2.5678 2.5794 3.6665 3.6884 4.1657 4.1931 4.5439 4.5591 4.8535 4.8888 5.3700 5.3993 5.4436 5.5038 5.5589 5.6195 5.7202 5.7464 8.9699 8.9720 9.7721 9.7800 10.1184 10.1373 11.6281 11.6431 12.0776 12.1000 12.2837 12.3142 k = 0.3375 0.2557 0.7449 ( 4962 PWs) bands (ev): -8.3852 -8.3651 -8.3353 -8.3039 -8.2762 -8.2441 -8.2233 -8.1989 -7.9801 -7.9594 -7.9073 -7.8214 -7.7743 -7.7682 -7.7578 -7.7476 -7.7240 -7.7005 -7.6952 -7.6867 -6.3177 -6.3076 -6.1607 -6.1470 -5.6311 -5.6215 -5.4112 -5.3960 -0.9658 -0.9238 -0.8755 -0.8155 -0.0788 0.0102 0.1161 0.2606 0.6163 0.6703 0.8394 0.8908 0.9758 1.0758 1.1666 1.1883 2.5933 2.6068 3.6221 3.6421 4.1172 4.1438 4.5500 4.5636 4.8660 4.9062 5.3607 5.3895 5.4435 5.5027 5.5696 5.6312 5.7348 5.7659 8.9448 8.9478 9.7712 9.7781 10.1551 10.1743 11.6361 11.6512 12.0612 12.0839 12.2547 12.2847 k = 0.3500 0.2651 0.7330 ( 4967 PWs) bands (ev): -8.3848 -8.3654 -8.3347 -8.3038 -8.2771 -8.2444 -8.2236 -8.1978 -7.9800 -7.9619 -7.9033 -7.8234 -7.7742 -7.7678 -7.7581 -7.7474 -7.7233 -7.7011 -7.6949 -7.6868 -6.3209 -6.3111 -6.1587 -6.1460 -5.6300 -5.6205 -5.4116 -5.3973 -0.9675 -0.9287 -0.8777 -0.8155 -0.0806 0.0010 0.1101 0.2653 0.6138 0.6806 0.8471 0.8909 0.9912 1.0789 1.1922 1.2071 2.6214 2.6369 3.5766 3.5952 4.0668 4.0927 4.5576 4.5692 4.8708 4.9161 5.3530 5.3812 5.4437 5.5006 5.5790 5.6392 5.7525 5.7875 8.9205 8.9247 9.7710 9.7768 10.1938 10.2128 11.6453 11.6601 12.0449 12.0688 12.2259 12.2566 k = 0.3625 0.2746 0.7211 ( 4963 PWs) bands (ev): -8.3845 -8.3657 -8.3341 -8.3038 -8.2778 -8.2454 -8.2232 -8.1967 -7.9799 -7.9642 -7.8993 -7.8256 -7.7740 -7.7675 -7.7585 -7.7471 -7.7226 -7.7017 -7.6945 -7.6869 -6.3231 -6.3134 -6.1579 -6.1460 -5.6289 -5.6194 -5.4124 -5.3992 -0.9698 -0.9340 -0.8807 -0.8156 -0.0867 0.0002 0.1055 0.2692 0.6129 0.6912 0.8537 0.8925 1.0045 1.0812 1.2176 1.2309 2.6515 2.6693 3.5312 3.5489 4.0157 4.0407 4.5658 4.5755 4.8682 4.9187 5.3471 5.3744 5.4441 5.4981 5.5858 5.6431 5.7725 5.8100 8.8985 8.9041 9.7714 9.7762 10.2336 10.2518 11.6552 11.6693 12.0291 12.0554 12.1980 12.2304 k = 0.3750 0.2841 0.7093 ( 4963 PWs) bands (ev): -8.3841 -8.3660 -8.3334 -8.3039 -8.2782 -8.2470 -8.2223 -8.1959 -7.9798 -7.9662 -7.8955 -7.8280 -7.7739 -7.7672 -7.7590 -7.7468 -7.7219 -7.7024 -7.6942 -7.6871 -6.3241 -6.3144 -6.1584 -6.1473 -5.6277 -5.6183 -5.4138 -5.4015 -0.9727 -0.9399 -0.8843 -0.8159 -0.0962 0.0070 0.1026 0.2724 0.6137 0.7015 0.8600 0.8956 1.0150 1.0832 1.2419 1.2590 2.6832 2.7034 3.4870 3.5044 3.9647 3.9889 4.5735 4.5823 4.8588 4.9143 5.3429 5.3693 5.4448 5.4956 5.5895 5.6433 5.7932 5.8320 8.8799 8.8872 9.7725 9.7765 10.2735 10.2905 11.6647 11.6781 12.0141 12.0440 12.1713 12.2060 k = 0.3875 0.2935 0.6974 ( 4963 PWs) bands (ev): -8.3837 -8.3662 -8.3327 -8.3040 -8.2784 -8.2491 -8.2211 -8.1951 -7.9796 -7.9679 -7.8918 -7.8305 -7.7738 -7.7670 -7.7595 -7.7463 -7.7210 -7.7030 -7.6938 -7.6872 -6.3240 -6.3140 -6.1603 -6.1497 -5.6264 -5.6170 -5.4156 -5.4044 -0.9763 -0.9461 -0.8883 -0.8164 -0.1067 0.0192 0.1018 0.2749 0.6159 0.7114 0.8664 0.9005 1.0228 1.0849 1.2662 1.2886 2.7158 2.7386 3.4450 3.4628 3.9147 3.9379 4.5796 4.5896 4.8435 4.9036 5.3402 5.3658 5.4457 5.4935 5.5898 5.6401 5.8127 5.8519 8.8659 8.8750 9.7744 9.7779 10.3124 10.3279 11.6720 11.6858 12.0006 12.0348 12.1466 12.1829 k = 0.4000 0.3030 0.6855 ( 4960 PWs) bands (ev): -8.3834 -8.3663 -8.3320 -8.3042 -8.2784 -8.2515 -8.2198 -8.1945 -7.9794 -7.9693 -7.8882 -7.8331 -7.7736 -7.7667 -7.7600 -7.7458 -7.7202 -7.7037 -7.6934 -7.6875 -6.3225 -6.3122 -6.1635 -6.1534 -5.6251 -5.6156 -5.4179 -5.4077 -0.9807 -0.9524 -0.8924 -0.8172 -0.1168 0.0343 0.1038 0.2770 0.6195 0.7205 0.8733 0.9073 1.0284 1.0864 1.2904 1.3178 2.7488 2.7741 3.4061 3.4248 3.8666 3.8887 4.5838 4.5970 4.8232 4.8871 5.3390 5.3640 5.4469 5.4917 5.5870 5.6341 5.8295 5.8685 8.8573 8.8684 9.7771 9.7809 10.3494 10.3635 11.6750 11.6915 11.9895 12.0281 12.1240 12.1603 k = 0.4125 0.3125 0.6736 ( 4955 PWs) bands (ev): -8.3830 -8.3663 -8.3313 -8.3043 -8.2783 -8.2541 -8.2184 -8.1940 -7.9792 -7.9704 -7.8849 -7.8358 -7.7736 -7.7664 -7.7606 -7.7452 -7.7193 -7.7044 -7.6931 -7.6877 -6.3199 -6.3091 -6.1682 -6.1584 -5.6236 -5.6141 -5.4206 -5.4115 -0.9863 -0.9586 -0.8966 -0.8184 -0.1256 0.0503 0.1095 0.2787 0.6245 0.7287 0.8810 0.9161 1.0323 1.0877 1.3139 1.3457 2.7814 2.8092 3.3713 3.3910 3.8214 3.8421 4.5857 4.6036 4.7988 4.8657 5.3390 5.3637 5.4482 5.4904 5.5811 5.6255 5.8423 5.8808 8.8546 8.8678 9.7809 9.7854 10.3834 10.3966 11.6718 11.6937 11.9817 12.0244 12.1037 12.1366 k = 0.4250 0.3219 0.6617 ( 4956 PWs) bands (ev): -8.3828 -8.3662 -8.3306 -8.3044 -8.2780 -8.2568 -8.2170 -8.1936 -7.9790 -7.9711 -7.8818 -7.8384 -7.7735 -7.7662 -7.7611 -7.7445 -7.7184 -7.7051 -7.6928 -7.6880 -6.3160 -6.3045 -6.1743 -6.1648 -5.6220 -5.6125 -5.4237 -5.4155 -0.9929 -0.9644 -0.9007 -0.8198 -0.1329 0.0648 0.1200 0.2804 0.6307 0.7357 0.8898 0.9269 1.0352 1.0888 1.3360 1.3715 2.8129 2.8429 3.3414 3.3619 3.7799 3.7990 4.5852 4.6092 4.7714 4.8399 5.3402 5.3648 5.4495 5.4895 5.5726 5.6148 5.8504 5.8882 8.8580 8.8733 9.7862 9.7916 10.4136 10.4267 11.6613 11.6900 11.9778 12.0229 12.0856 12.1104 k = 0.4375 0.3314 0.6499 ( 4958 PWs) bands (ev): -8.3825 -8.3659 -8.3299 -8.3044 -8.2776 -8.2596 -8.2158 -8.1933 -7.9789 -7.9714 -7.8791 -7.8410 -7.7735 -7.7659 -7.7615 -7.7439 -7.7175 -7.7058 -7.6925 -7.6882 -6.3108 -6.2986 -6.1819 -6.1727 -5.6203 -5.6108 -5.4270 -5.4197 -1.0005 -0.9697 -0.9047 -0.8214 -0.1387 0.0767 0.1357 0.2821 0.6383 0.7416 0.8998 0.9397 1.0377 1.0899 1.3560 1.3946 2.8423 2.8741 3.3168 3.3377 3.7431 3.7604 4.5817 4.6134 4.7420 4.8103 5.3420 5.3670 5.4506 5.4887 5.5617 5.6022 5.8535 5.8906 8.8675 8.8849 9.7932 9.7997 10.4391 10.4532 11.6432 11.6790 11.9766 12.0195 12.0728 12.0818 k = 0.4500 0.3409 0.6380 ( 4955 PWs) bands (ev): -8.3823 -8.3656 -8.3294 -8.3043 -8.2772 -8.2624 -8.2148 -8.1930 -7.9787 -7.9714 -7.8767 -7.8434 -7.7736 -7.7657 -7.7618 -7.7432 -7.7166 -7.7065 -7.6923 -7.6885 -6.3045 -6.2914 -6.1909 -6.1820 -5.6185 -5.6090 -5.4305 -5.4240 -1.0087 -0.9746 -0.9085 -0.8230 -0.1433 0.0861 0.1550 0.2844 0.6469 0.7463 0.9112 0.9535 1.0411 1.0912 1.3735 1.4146 2.8688 2.9018 3.2980 3.3186 3.7119 3.7274 4.5746 4.6159 4.7119 4.7776 5.3440 5.3699 5.4514 5.4877 5.5489 5.5881 5.8520 5.8883 8.8827 8.9021 9.8021 9.8097 10.4594 10.4752 11.6182 11.6601 11.9681 12.0104 12.0469 12.0781 k = 0.4625 0.3504 0.6261 ( 4959 PWs) bands (ev): -8.3821 -8.3651 -8.3289 -8.3041 -8.2768 -8.2651 -8.2139 -8.1927 -7.9785 -7.9712 -7.8749 -7.8455 -7.7737 -7.7654 -7.7621 -7.7425 -7.7158 -7.7071 -7.6922 -7.6888 -6.2972 -6.2829 -6.2013 -6.1929 -5.6165 -5.6070 -5.4341 -5.4281 -1.0171 -0.9791 -0.9121 -0.8247 -0.1468 0.0941 0.1754 0.2877 0.6565 0.7501 0.9241 0.9671 1.0465 1.0931 1.3883 1.4313 2.8912 2.9249 3.2850 3.3046 3.6872 3.7011 4.5625 4.6166 4.6829 4.7422 5.3454 5.3728 5.4516 5.4861 5.5348 5.5732 5.8466 5.8823 8.9030 8.9241 9.8130 9.8218 10.4741 10.4921 11.5874 11.6340 11.9369 11.9913 12.0301 12.0936 k = 0.4750 0.3598 0.6142 ( 4963 PWs) bands (ev): -8.3820 -8.3646 -8.3285 -8.3036 -8.2766 -8.2676 -8.2134 -8.1923 -7.9782 -7.9707 -7.8737 -7.8472 -7.7738 -7.7652 -7.7623 -7.7419 -7.7151 -7.7075 -7.6922 -7.6890 -6.2895 -6.2735 -6.2127 -6.2049 -5.6144 -5.6048 -5.4375 -5.4319 -1.0255 -0.9834 -0.9156 -0.8263 -0.1495 0.1011 0.1949 0.2926 0.6668 0.7531 0.9384 0.9783 1.0556 1.0967 1.4005 1.4446 2.9088 2.9426 3.2773 3.2956 3.6700 3.6824 4.5440 4.6151 4.6571 4.7051 5.3451 5.3744 5.4511 5.4835 5.5196 5.5582 5.8386 5.8737 8.9274 8.9502 9.8262 9.8359 10.4829 10.5029 11.5521 11.6021 11.8894 11.9481 12.0411 12.1155 k = 0.4875 0.3693 0.6024 ( 4964 PWs) bands (ev): -8.3819 -8.3639 -8.3283 -8.3030 -8.2767 -8.2697 -8.2131 -8.1919 -7.9779 -7.9701 -7.8733 -7.8483 -7.7740 -7.7650 -7.7623 -7.7412 -7.7147 -7.7077 -7.6923 -7.6892 -6.2825 -6.2640 -6.2239 -6.2174 -5.6120 -5.6024 -5.4407 -5.4352 -1.0336 -0.9875 -0.9190 -0.8276 -0.1516 0.1072 0.2120 0.2998 0.6774 0.7556 0.9532 0.9861 1.0681 1.1045 1.4105 1.4545 2.9208 2.9547 3.2742 3.2913 3.6608 3.6721 4.5183 4.6100 4.6359 4.6680 5.3417 5.3730 5.4493 5.4801 5.5039 5.5445 5.8298 5.8638 8.9551 8.9792 9.8415 9.8522 10.4856 10.5070 11.5133 11.5659 11.8342 11.8972 12.0594 12.1398 k = 0.5000 0.3788 0.5905 ( 4970 PWs) bands (ev): -8.3818 -8.3632 -8.3281 -8.3023 -8.2774 -8.2711 -8.2132 -8.1914 -7.9774 -7.9694 -7.8737 -7.8487 -7.7742 -7.7648 -7.7622 -7.7405 -7.7145 -7.7077 -7.6925 -7.6893 -6.2799 -6.2586 -6.2312 -6.2264 -5.6095 -5.5997 -5.4435 -5.4379 -1.0412 -0.9914 -0.9221 -0.8288 -0.1533 0.1121 0.2258 0.3096 0.6875 0.7580 0.9662 0.9917 1.0822 1.1195 1.4189 1.4615 2.9270 2.9613 3.2744 3.2910 3.6596 3.6706 4.4862 4.5957 4.6185 4.6377 5.3337 5.3665 5.4446 5.4757 5.4888 5.5346 5.8218 5.8544 8.9849 9.0101 9.8587 9.8702 10.4818 10.5041 11.4721 11.5262 11.7764 11.8439 12.0793 12.1635 k = 0.5000 0.3788 0.5905 ( 4970 PWs) bands (ev): -8.3818 -8.3632 -8.3281 -8.3023 -8.2774 -8.2711 -8.2132 -8.1914 -7.9774 -7.9694 -7.8737 -7.8487 -7.7742 -7.7648 -7.7622 -7.7405 -7.7145 -7.7077 -7.6925 -7.6893 -6.2799 -6.2586 -6.2312 -6.2264 -5.6095 -5.5997 -5.4435 -5.4379 -1.0412 -0.9914 -0.9221 -0.8288 -0.1533 0.1121 0.2258 0.3096 0.6875 0.7580 0.9662 0.9917 1.0822 1.1195 1.4189 1.4615 2.9270 2.9613 3.2744 3.2910 3.6596 3.6706 4.4862 4.5957 4.6185 4.6377 5.3337 5.3665 5.4446 5.4757 5.4888 5.5346 5.8218 5.8544 8.9849 9.0101 9.8587 9.8702 10.4818 10.5041 11.4721 11.5262 11.7764 11.8439 12.0793 12.1635 k = 0.5000 0.3788 0.5708 ( 4960 PWs) bands (ev): -8.3816 -8.3619 -8.3278 -8.3012 -8.2789 -8.2728 -8.2134 -8.1904 -7.9765 -7.9680 -7.8750 -7.8490 -7.7744 -7.7645 -7.7619 -7.7394 -7.7145 -7.7073 -7.6929 -7.6895 -6.2832 -6.2604 -6.2347 -6.2336 -5.6048 -5.5949 -5.4477 -5.4416 -1.0525 -0.9978 -0.9272 -0.8304 -0.1558 0.1170 0.2465 0.3266 0.7029 0.7614 0.9830 1.0025 1.1090 1.1506 1.4338 1.4712 2.9334 2.9684 3.2773 3.2938 3.6641 3.6753 4.4285 4.5524 4.5925 4.6050 5.3158 5.3499 5.4311 5.4602 5.4734 5.5238 5.8099 5.8393 9.0362 9.0629 9.8877 9.9006 10.4680 10.4909 11.3980 11.4533 11.6799 11.7536 12.1141 12.2001 k = 0.5000 0.3788 0.5511 ( 4960 PWs) bands (ev): -8.3813 -8.3606 -8.3274 -8.3004 -8.2804 -8.2744 -8.2137 -8.1896 -7.9755 -7.9666 -7.8763 -7.8495 -7.7745 -7.7642 -7.7615 -7.7385 -7.7144 -7.7069 -7.6934 -7.6897 -6.2886 -6.2647 -6.2404 -6.2360 -5.5993 -5.5893 -5.4513 -5.4449 -1.0625 -1.0042 -0.9325 -0.8318 -0.1578 0.1188 0.2679 0.3411 0.7168 0.7641 0.9966 1.0164 1.1411 1.1799 1.4519 1.4825 2.9413 2.9766 3.2810 3.2972 3.6684 3.6797 4.3716 4.5025 4.5685 4.5784 5.2969 5.3324 5.4157 5.4393 5.4651 5.5144 5.7971 5.8231 9.0888 9.1166 9.9143 9.9285 10.4502 10.4734 11.3177 11.3733 11.5820 11.6608 12.1498 12.2339 k = 0.5000 0.3788 0.5314 ( 4952 PWs) bands (ev): -8.3809 -8.3594 -8.3268 -8.3000 -8.2817 -8.2756 -8.2141 -8.1889 -7.9744 -7.9651 -7.8776 -7.8501 -7.7745 -7.7639 -7.7611 -7.7376 -7.7143 -7.7066 -7.6939 -7.6898 -6.2960 -6.2715 -6.2455 -6.2367 -5.5930 -5.5832 -5.4544 -5.4476 -1.0711 -1.0106 -0.9377 -0.8330 -0.1594 0.1182 0.2892 0.3527 0.7288 0.7665 1.0080 1.0310 1.1769 1.2081 1.4707 1.4987 2.9508 2.9862 3.2857 3.3012 3.6723 3.6838 4.3162 4.4503 4.5466 4.5550 5.2770 5.3138 5.3993 5.4186 5.4581 5.5058 5.7837 5.8061 9.1418 9.1707 9.9373 9.9528 10.4293 10.4525 11.2337 11.2893 11.4841 11.5670 12.1835 12.2628 k = 0.5000 0.3788 0.5117 ( 4946 PWs) bands (ev): -8.3805 -8.3582 -8.3260 -8.3000 -8.2832 -8.2764 -8.2145 -8.1884 -7.9731 -7.9636 -7.8788 -7.8510 -7.7744 -7.7636 -7.7607 -7.7368 -7.7141 -7.7063 -7.6944 -7.6900 -6.3051 -6.2806 -6.2493 -6.2372 -5.5860 -5.5764 -5.4568 -5.4497 -1.0783 -1.0171 -0.9428 -0.8340 -0.1606 0.1157 0.3095 0.3614 0.7384 0.7694 1.0186 1.0439 1.2096 1.2410 1.4859 1.5242 2.9623 2.9973 3.2916 3.3061 3.6755 3.6875 4.2632 4.3980 4.5265 4.5339 5.2563 5.2942 5.3826 5.3989 5.4516 5.4975 5.7699 5.7888 9.1948 9.2243 9.9557 9.9722 10.4062 10.4290 11.1482 11.2035 11.3872 11.4733 12.2130 12.2848 k = 0.5000 0.3788 0.4921 ( 4944 PWs) bands (ev): -8.3800 -8.3571 -8.3250 -8.3005 -8.2848 -8.2765 -8.2151 -8.1879 -7.9718 -7.9620 -7.8800 -7.8520 -7.7742 -7.7632 -7.7603 -7.7361 -7.7138 -7.7059 -7.6949 -7.6903 -6.3154 -6.2911 -6.2523 -6.2378 -5.5783 -5.5689 -5.4583 -5.4510 -1.0840 -1.0235 -0.9477 -0.8348 -0.1614 0.1119 0.3284 0.3670 0.7444 0.7741 1.0284 1.0540 1.2338 1.2829 1.4990 1.5575 2.9759 3.0102 3.2987 3.3119 3.6780 3.6907 4.2136 4.3468 4.5084 4.5149 5.2349 5.2738 5.3660 5.3806 5.4452 5.4895 5.7557 5.7713 9.2469 9.2769 9.9686 9.9857 10.3815 10.4038 11.0629 11.1181 11.2922 11.3807 12.2363 12.2979 k = 0.5000 0.3788 0.4724 ( 4944 PWs) bands (ev): -8.3794 -8.3560 -8.3240 -8.3015 -8.2866 -8.2759 -8.2157 -8.1877 -7.9704 -7.9603 -7.8811 -7.8532 -7.7740 -7.7628 -7.7598 -7.7356 -7.7135 -7.7056 -7.6954 -7.6905 -6.3265 -6.3027 -6.2551 -6.2390 -5.5699 -5.5608 -5.4590 -5.4514 -1.0884 -1.0299 -0.9524 -0.8355 -0.1619 0.1071 0.3455 0.3698 0.7466 0.7813 1.0364 1.0615 1.2537 1.3279 1.5138 1.5954 2.9916 3.0250 3.3071 3.3186 3.6794 3.6933 4.1681 4.2976 4.4922 4.4981 5.2130 5.2525 5.3497 5.3635 5.4389 5.4815 5.7413 5.7541 9.2974 9.3275 9.9754 9.9925 10.3555 10.3771 10.9796 11.0348 11.1998 11.2901 12.2515 12.3002 k = 0.5000 0.3788 0.4527 ( 4948 PWs) bands (ev): -8.3787 -8.3549 -8.3227 -8.3027 -8.2885 -8.2750 -8.2165 -8.1876 -7.9689 -7.9586 -7.8823 -7.8545 -7.7736 -7.7624 -7.7594 -7.7352 -7.7132 -7.7053 -7.6959 -7.6908 -6.3383 -6.3150 -6.2581 -6.2407 -5.5608 -5.5521 -5.4588 -5.4510 -1.0914 -1.0361 -0.9568 -0.8359 -0.1621 0.1015 0.3604 0.3698 0.7458 0.7901 1.0404 1.0682 1.2728 1.3695 1.5341 1.6358 3.0097 3.0418 3.3169 3.3263 3.6795 3.6951 4.1276 4.2515 4.4780 4.4836 5.1907 5.2307 5.3338 5.3476 5.4328 5.4736 5.7265 5.7374 9.3452 9.3751 9.9762 9.9926 10.3278 10.3483 10.9002 10.9555 11.1106 11.2023 12.2566 12.2897 k = 0.5000 0.3788 0.4330 ( 4950 PWs) bands (ev): -8.3780 -8.3539 -8.3214 -8.3041 -8.2905 -8.2736 -8.2174 -8.1876 -7.9673 -7.9569 -7.8834 -7.8560 -7.7732 -7.7619 -7.7589 -7.7348 -7.7128 -7.7051 -7.6965 -7.6910 -6.3505 -6.3278 -6.2615 -6.2432 -5.5511 -5.5428 -5.4576 -5.4497 -1.0931 -1.0420 -0.9611 -0.8360 -0.1621 0.0953 0.3669 0.3731 0.7431 0.7996 1.0381 1.0758 1.2922 1.4028 1.5637 1.6776 3.0299 3.0604 3.3279 3.3353 3.6780 3.6961 4.0930 4.2091 4.4656 4.4716 5.1682 5.2085 5.3185 5.3328 5.4268 5.4656 5.7113 5.7217 9.3891 9.4185 9.9719 9.9869 10.2970 10.3166 10.8261 10.8817 11.0254 11.1181 12.2483 12.2670 k = 0.5000 0.3788 0.4133 ( 4954 PWs) bands (ev): -8.3772 -8.3529 -8.3200 -8.3056 -8.2925 -8.2720 -8.2183 -8.1878 -7.9657 -7.9551 -7.8845 -7.8576 -7.7726 -7.7614 -7.7585 -7.7346 -7.7123 -7.7048 -7.6970 -7.6913 -6.3630 -6.3408 -6.2652 -6.2464 -5.5409 -5.5329 -5.4555 -5.4474 -1.0936 -1.0476 -0.9652 -0.8358 -0.1619 0.0887 0.3620 0.3829 0.7390 0.8091 1.0297 1.0842 1.3121 1.4257 1.6042 1.7202 3.0520 3.0806 3.3399 3.3458 3.6745 3.6959 4.0653 4.1715 4.4551 4.4620 5.1457 5.1860 5.3038 5.3188 5.4211 5.4577 5.6957 5.7071 9.4280 9.4563 9.9637 9.9769 10.2613 10.2807 10.7587 10.8148 10.9447 11.0383 12.2164 12.2380 k = 0.5000 0.3788 0.3936 ( 4962 PWs) bands (ev): -8.3763 -8.3520 -8.3187 -8.3071 -8.2946 -8.2702 -8.2194 -8.1881 -7.9639 -7.9533 -7.8856 -7.8594 -7.7721 -7.7609 -7.7581 -7.7346 -7.7118 -7.7046 -7.6976 -7.6916 -6.3755 -6.3540 -6.2695 -6.2504 -5.5301 -5.5226 -5.4525 -5.4444 -1.0931 -1.0526 -0.9692 -0.8354 -0.1616 0.0818 0.3549 0.3901 0.7339 0.8183 1.0167 1.0923 1.3317 1.4405 1.6529 1.7634 3.0755 3.1018 3.3521 3.3584 3.6689 3.6944 4.0452 4.1397 4.4464 4.4549 5.1232 5.1634 5.2896 5.3055 5.4157 5.4499 5.6800 5.6936 9.4601 9.4868 9.9537 9.9653 10.2193 10.2398 10.6985 10.7551 10.8691 10.9634 12.1606 12.1836 k = 0.5000 0.3788 0.3740 ( 4950 PWs) bands (ev): -8.3754 -8.3510 -8.3176 -8.3082 -8.2966 -8.2683 -8.2206 -8.1886 -7.9620 -7.9514 -7.8867 -7.8613 -7.7714 -7.7604 -7.7576 -7.7346 -7.7113 -7.7043 -7.6981 -7.6919 -6.3881 -6.3672 -6.2743 -6.2551 -5.5189 -5.5118 -5.4487 -5.4405 -1.0917 -1.0569 -0.9731 -0.8346 -0.1611 0.0747 0.3458 0.3946 0.7279 0.8269 1.0002 1.0994 1.3504 1.4507 1.7062 1.8072 3.0997 3.1235 3.3642 3.3731 3.6611 3.6913 4.0335 4.1147 4.4397 4.4501 5.1010 5.1410 5.2758 5.2929 5.4107 5.4423 5.6646 5.6808 9.4840 9.5083 9.9434 9.9544 10.1706 10.1942 10.6448 10.7018 10.7993 10.8943 12.0765 12.1106 k = 0.5000 0.3788 0.3543 ( 4938 PWs) bands (ev): -8.3744 -8.3501 -8.3170 -8.3086 -8.2985 -8.2663 -8.2219 -8.1892 -7.9600 -7.9494 -7.8878 -7.8633 -7.7707 -7.7598 -7.7572 -7.7346 -7.7107 -7.7041 -7.6986 -7.6921 -6.4006 -6.3804 -6.2795 -6.2604 -5.5074 -5.5006 -5.4441 -5.4359 -1.0899 -1.0602 -0.9770 -0.8334 -0.1605 0.0677 0.3349 0.3961 0.7210 0.8346 0.9816 1.1048 1.3671 1.4589 1.7615 1.8519 3.1238 3.1450 3.3764 3.3890 3.6515 3.6864 4.0306 4.0977 4.4349 4.4477 5.0793 5.1187 5.2624 5.2807 5.4062 5.4349 5.6495 5.6686 9.4982 9.5193 9.9341 9.9463 10.1163 10.1455 10.5963 10.6530 10.7361 10.8313 11.9764 12.0371 k = 0.5000 0.3788 0.3346 ( 4938 PWs) bands (ev): -8.3733 -8.3492 -8.3174 -8.3081 -8.3005 -8.2642 -8.2232 -8.1900 -7.9580 -7.9474 -7.8888 -7.8654 -7.7700 -7.7592 -7.7567 -7.7348 -7.7102 -7.7039 -7.6991 -7.6924 -6.4128 -6.3934 -6.2851 -6.2662 -5.4956 -5.4892 -5.4389 -5.4307 -1.0882 -1.0618 -0.9808 -0.8320 -0.1597 0.0607 0.3226 0.3946 0.7134 0.8409 0.9621 1.1081 1.3812 1.4668 1.8172 1.8979 3.1467 3.1658 3.3885 3.4049 3.6407 3.6797 4.0365 4.0895 4.4321 4.4476 5.0580 5.0968 5.2493 5.2689 5.4024 5.4278 5.6350 5.6570 9.5020 9.5191 9.9258 9.9413 10.0591 10.0965 10.5513 10.6064 10.6796 10.7743 11.8720 11.9583 k = 0.5000 0.3788 0.3149 ( 4938 PWs) bands (ev): -8.3722 -8.3483 -8.3186 -8.3068 -8.3024 -8.2621 -8.2247 -8.1909 -7.9559 -7.9454 -7.8899 -7.8676 -7.7692 -7.7586 -7.7563 -7.7351 -7.7096 -7.7038 -7.6995 -7.6927 -6.4248 -6.4062 -6.2910 -6.2726 -5.4837 -5.4776 -5.4331 -5.4249 -1.0874 -1.0612 -0.9845 -0.8302 -0.1589 0.0539 0.3089 0.3900 0.7052 0.8449 0.9435 1.1092 1.3925 1.4749 1.8724 1.9455 3.1678 3.1853 3.3998 3.4198 3.6295 3.6714 4.0510 4.0908 4.4314 4.4499 5.0374 5.0753 5.2362 5.2574 5.3991 5.4211 5.6208 5.6457 9.4957 9.5082 9.9158 9.9368 10.0033 10.0517 10.5092 10.5606 10.6292 10.7226 11.7660 11.8743 k = 0.5000 0.3788 0.2952 ( 4930 PWs) bands (ev): -8.3710 -8.3474 -8.3201 -8.3057 -8.3036 -8.2600 -8.2262 -8.1920 -7.9536 -7.9434 -7.8910 -7.8699 -7.7684 -7.7581 -7.7558 -7.7355 -7.7091 -7.7036 -7.6999 -7.6930 -6.4363 -6.4187 -6.2972 -6.2793 -5.4717 -5.4659 -5.4268 -5.4188 -1.0878 -1.0583 -0.9878 -0.8283 -0.1579 0.0475 0.2941 0.3821 0.6966 0.8450 0.9280 1.1080 1.4015 1.4831 1.9266 1.9947 3.1863 3.2032 3.4096 3.4324 3.6189 3.6621 4.0735 4.1018 4.4330 4.4548 5.0175 5.0544 5.2233 5.2460 5.3965 5.4148 5.6072 5.6347 9.4803 9.4882 9.8977 9.9216 9.9622 10.0172 10.4701 10.5163 10.5826 10.6749 11.6597 11.7856 k = 0.5000 0.3788 0.2756 ( 4934 PWs) bands (ev): -8.3698 -8.3465 -8.3219 -8.3067 -8.3023 -8.2579 -8.2279 -8.1932 -7.9514 -7.9413 -7.8922 -7.8724 -7.7677 -7.7576 -7.7554 -7.7359 -7.7086 -7.7035 -7.7003 -7.6933 -6.4475 -6.4307 -6.3035 -6.2862 -5.4597 -5.4542 -5.4203 -5.4124 -1.0889 -1.0537 -0.9907 -0.8262 -0.1567 0.0416 0.2782 0.3708 0.6878 0.8395 0.9180 1.1046 1.4089 1.4908 1.9799 2.0452 3.2023 3.2191 3.4166 3.4414 3.6099 3.6527 4.1030 4.1219 4.4373 4.4624 4.9985 5.0341 5.2103 5.2347 5.3947 5.4091 5.5938 5.6236 9.4572 9.4609 9.8635 9.8862 9.9491 9.9968 10.4346 10.4746 10.5374 10.6296 11.5543 11.6932 k = 0.5000 0.3788 0.2559 ( 4938 PWs) bands (ev): -8.3686 -8.3456 -8.3237 -8.3085 -8.3001 -8.2558 -8.2295 -8.1945 -7.9490 -7.9392 -7.8933 -7.8749 -7.7669 -7.7571 -7.7549 -7.7364 -7.7081 -7.7035 -7.7006 -7.6937 -6.4581 -6.4423 -6.3098 -6.2933 -5.4478 -5.4426 -5.4135 -5.4059 -1.0903 -1.0484 -0.9925 -0.8241 -0.1553 0.0363 0.2615 0.3561 0.6790 0.8282 0.9144 1.0992 1.4152 1.4975 2.0323 2.0966 3.2158 3.2328 3.4198 3.4457 3.6035 3.6443 4.1379 4.1499 4.4447 4.4734 4.9805 5.0146 5.1973 5.2235 5.3935 5.4038 5.5806 5.6125 9.4272 9.4289 9.8191 9.8509 9.9423 9.9860 10.4028 10.4370 10.4918 10.5856 11.4511 11.5986 k = 0.5000 0.3788 0.2362 ( 4940 PWs) bands (ev): -8.3673 -8.3447 -8.3255 -8.3103 -8.2977 -8.2539 -8.2311 -8.1960 -7.9465 -7.9371 -7.8945 -7.8774 -7.7661 -7.7567 -7.7544 -7.7369 -7.7077 -7.7035 -7.7008 -7.6940 -6.4681 -6.4533 -6.3160 -6.3005 -5.4362 -5.4313 -5.4066 -5.3993 -1.0917 -1.0437 -0.9926 -0.8220 -0.1535 0.0317 0.2441 0.3382 0.6707 0.8130 0.9152 1.0921 1.4211 1.5028 2.0840 2.1481 3.2270 3.2442 3.4185 3.4447 3.6001 3.6377 4.1762 4.1837 4.4560 4.4881 4.9635 4.9958 5.1844 5.2122 5.3928 5.3991 5.5676 5.6010 9.3910 9.3947 9.7764 9.8184 9.9338 9.9780 10.3739 10.4044 10.4451 10.5425 11.3515 11.5032 k = 0.5000 0.3788 0.2165 ( 4958 PWs) bands (ev): -8.3660 -8.3439 -8.3273 -8.3121 -8.2952 -8.2521 -8.2326 -8.1976 -7.9440 -7.9351 -7.8958 -7.8801 -7.7653 -7.7564 -7.7538 -7.7376 -7.7073 -7.7036 -7.7009 -7.6943 -6.4775 -6.4637 -6.3221 -6.3075 -5.4250 -5.4203 -5.3998 -5.3928 -1.0928 -1.0406 -0.9899 -0.8202 -0.1512 0.0280 0.2260 0.3172 0.6631 0.7964 0.9186 1.0839 1.4268 1.5067 2.1351 2.1991 3.2363 3.2534 3.4124 3.4385 3.5996 3.6335 4.2155 4.2208 4.4725 4.5077 4.9476 4.9780 5.1715 5.2009 5.3926 5.3949 5.5547 5.5888 9.3522 9.3574 9.7396 9.7904 9.9224 9.9690 10.3445 10.3769 10.3985 10.5007 11.2570 11.4089 k = 0.5000 0.3788 0.1968 ( 4956 PWs) bands (ev): -8.3646 -8.3431 -8.3290 -8.3138 -8.2926 -8.2507 -8.2338 -8.1992 -7.9414 -7.9329 -7.8971 -7.8828 -7.7644 -7.7561 -7.7532 -7.7382 -7.7069 -7.7037 -7.7009 -7.6946 -6.4861 -6.4735 -6.3279 -6.3144 -5.4144 -5.4099 -5.3932 -5.3865 -1.0935 -1.0399 -0.9842 -0.8189 -0.1483 0.0253 0.2074 0.2938 0.6564 0.7796 0.9233 1.0747 1.4324 1.5092 2.1855 2.2489 3.2440 3.2606 3.4023 3.4277 3.6014 3.6316 4.2535 4.2578 4.4956 4.5329 4.9330 4.9611 5.1588 5.1896 5.3901 5.3935 5.5417 5.5758 9.3124 9.3184 9.7099 9.7683 9.9084 9.9576 10.3099 10.3453 10.3630 10.4614 11.1689 11.3175 k = 0.5000 0.3788 0.1771 ( 4960 PWs) bands (ev): -8.3632 -8.3423 -8.3307 -8.3156 -8.2900 -8.2498 -8.2345 -8.2010 -7.9387 -7.9308 -7.8984 -7.8856 -7.7636 -7.7560 -7.7525 -7.7389 -7.7066 -7.7039 -7.7008 -7.6950 -6.4940 -6.4826 -6.3334 -6.3210 -5.4043 -5.4000 -5.3867 -5.3804 -1.0938 -1.0412 -0.9756 -0.8182 -0.1445 0.0237 0.1881 0.2685 0.6509 0.7633 0.9286 1.0650 1.4380 1.5103 2.2349 2.2969 3.2504 3.2662 3.3888 3.4133 3.6049 3.6316 4.2879 4.2915 4.5266 4.5644 4.9197 4.9453 5.1464 5.1785 5.3861 5.3940 5.5288 5.5618 9.2729 9.2787 9.6873 9.7524 9.8928 9.9441 10.2664 10.3032 10.3450 10.4264 11.0887 11.2306 k = 0.5000 0.3788 0.1575 ( 4956 PWs) bands (ev): -8.3617 -8.3417 -8.3321 -8.3172 -8.2873 -8.2496 -8.2346 -8.2029 -7.9359 -7.9287 -7.8998 -7.8884 -7.7628 -7.7558 -7.7518 -7.7396 -7.7063 -7.7041 -7.7006 -7.6953 -6.5012 -6.4909 -6.3384 -6.3273 -5.3949 -5.3909 -5.3806 -5.3747 -1.0937 -1.0440 -0.9650 -0.8182 -0.1396 0.0231 0.1683 0.2423 0.6466 0.7478 0.9342 1.0552 1.4436 1.5103 2.2828 2.3425 3.2556 3.2704 3.3730 3.3963 3.6094 3.6330 4.3173 4.3200 4.5653 4.6022 4.9077 4.9307 5.1345 5.1676 5.3817 5.3945 5.5160 5.5467 9.2348 9.2399 9.6721 9.7430 9.8765 9.9291 10.2157 10.2598 10.3312 10.3967 11.0176 11.1499 k = 0.5000 0.3788 0.1378 ( 4948 PWs) bands (ev): -8.3602 -8.3413 -8.3332 -8.3188 -8.2846 -8.2502 -8.2339 -8.2049 -7.9331 -7.9266 -7.9012 -7.8912 -7.7620 -7.7558 -7.7511 -7.7403 -7.7061 -7.7042 -7.7003 -7.6956 -6.5075 -6.4984 -6.3429 -6.3330 -5.3865 -5.3827 -5.3749 -5.3695 -1.0931 -1.0476 -0.9531 -0.8193 -0.1334 0.0236 0.1478 0.2161 0.6437 0.7331 0.9401 1.0453 1.4492 1.5092 2.3287 2.3851 3.2598 3.2735 3.3559 3.3777 3.6144 3.6350 4.3412 4.3431 4.6101 4.6449 4.8972 4.9173 5.1235 5.1571 5.3769 5.3949 5.5036 5.5307 9.1990 9.2032 9.6637 9.7401 9.8607 9.9137 10.1619 10.2137 10.3186 10.3717 10.9566 11.0765 k = 0.5000 0.3788 0.1181 ( 4944 PWs) bands (ev): -8.3587 -8.3415 -8.3337 -8.3204 -8.2818 -8.2516 -8.2326 -8.2069 -7.9303 -7.9245 -7.9026 -7.8941 -7.7613 -7.7558 -7.7503 -7.7411 -7.7059 -7.7044 -7.7001 -7.6959 -6.5129 -6.5050 -6.3469 -6.3383 -5.3789 -5.3755 -5.3697 -5.3648 -1.0920 -1.0517 -0.9403 -0.8216 -0.1255 0.0248 0.1266 0.1910 0.6421 0.7195 0.9461 1.0356 1.4547 1.5073 2.3720 2.4239 3.2633 3.2756 3.3384 3.3584 3.6195 3.6372 4.3597 4.3618 4.6580 4.6904 4.8881 4.9052 5.1135 5.1473 5.3715 5.3945 5.4919 5.5139 9.1663 9.1695 9.6621 9.7434 9.8459 9.8988 10.1076 10.1651 10.3065 10.3497 10.9063 11.0116 k = 0.5000 0.3788 0.0984 ( 4952 PWs) bands (ev): -8.3572 -8.3421 -8.3337 -8.3220 -8.2791 -8.2534 -8.2310 -8.2090 -7.9274 -7.9225 -7.9042 -7.8971 -7.7606 -7.7560 -7.7496 -7.7418 -7.7058 -7.7046 -7.6998 -7.6963 -6.5174 -6.5108 -6.3502 -6.3430 -5.3725 -5.3694 -5.3648 -5.3607 -1.0905 -1.0560 -0.9271 -0.8251 -0.1157 0.0261 0.1054 0.1679 0.6418 0.7068 0.9522 1.0263 1.4601 1.5048 2.4120 2.4581 3.2661 3.2769 3.3216 3.3393 3.6244 3.6393 4.3740 4.3768 4.7058 4.7361 4.8807 4.8945 5.1049 5.1381 5.3653 5.3927 5.4813 5.4973 9.1374 9.1397 9.6667 9.7527 9.8326 9.8851 10.0544 10.1153 10.2948 10.3298 10.8668 10.9557 k = 0.5000 0.3788 0.0787 ( 4944 PWs) bands (ev): -8.3556 -8.3433 -8.3332 -8.3235 -8.2763 -8.2555 -8.2290 -8.2112 -7.9244 -7.9204 -7.9058 -7.9001 -7.7598 -7.7561 -7.7488 -7.7426 -7.7057 -7.7048 -7.6994 -7.6966 -6.5210 -6.5157 -6.3528 -6.3470 -5.3671 -5.3647 -5.3604 -5.3572 -1.0886 -1.0605 -0.9137 -0.8301 -0.1039 0.0257 0.0864 0.1471 0.6428 0.6952 0.9584 1.0173 1.4654 1.5016 2.4477 2.4868 3.2685 3.2777 3.3064 3.3214 3.6290 3.6410 4.3853 4.3883 4.7506 4.7792 4.8749 4.8853 5.0983 5.1297 5.3589 5.3888 5.4721 5.4822 9.1130 9.1146 9.6773 9.7679 9.8207 9.8734 10.0040 10.0657 10.2838 10.3115 10.8376 10.9091 k = 0.5000 0.3788 0.0590 ( 4940 PWs) bands (ev): -8.3541 -8.3446 -8.3324 -8.3249 -8.2736 -8.2578 -8.2269 -8.2134 -7.9215 -7.9184 -7.9075 -7.9030 -7.7592 -7.7564 -7.7481 -7.7434 -7.7055 -7.7049 -7.6991 -7.6970 -6.5237 -6.5197 -6.3548 -6.3504 -5.3630 -5.3612 -5.3566 -5.3544 -1.0862 -1.0648 -0.9005 -0.8365 -0.0900 0.0193 0.0742 0.1287 0.6452 0.6846 0.9648 1.0087 1.4706 1.4980 2.4783 2.5090 3.2704 3.2780 3.2939 3.3053 3.6331 3.6421 4.3940 4.3968 4.7898 4.8165 4.8706 4.8780 5.0943 5.1219 5.3532 5.3819 5.4645 5.4702 9.0934 9.0945 9.6932 9.7884 9.8097 9.8642 9.9581 10.0174 10.2745 10.2952 10.8181 10.8716 k = 0.5000 0.3788 0.0394 ( 4952 PWs) bands (ev): -8.3525 -8.3461 -8.3314 -8.3264 -8.2708 -8.2603 -8.2247 -8.2156 -7.9185 -7.9164 -7.9092 -7.9061 -7.7586 -7.7567 -7.7473 -7.7442 -7.7055 -7.7051 -7.6987 -7.6973 -6.5254 -6.5228 -6.3559 -6.3530 -5.3600 -5.3589 -5.3537 -5.3523 -1.0835 -1.0690 -0.8876 -0.8443 -0.0739 0.0044 0.0723 0.1126 0.6487 0.6751 0.9714 1.0006 1.4757 1.4941 2.5027 2.5240 3.2719 3.2781 3.2850 3.2921 3.6365 3.6425 4.4004 4.4025 4.8210 4.8445 4.8674 4.8734 5.0933 5.1145 5.3495 5.3725 5.4590 5.4623 9.0792 9.0799 9.7135 9.7970 9.8142 9.8584 9.9196 9.9714 10.2679 10.2817 10.8073 10.8429 k = 0.5000 0.3788 0.0197 ( 4954 PWs) bands (ev): -8.3509 -8.3477 -8.3303 -8.3277 -8.2681 -8.2628 -8.2224 -8.2179 -7.9157 -7.9144 -7.9110 -7.9090 -7.7580 -7.7571 -7.7465 -7.7450 -7.7054 -7.7052 -7.6984 -7.6977 -6.5262 -6.5249 -6.3564 -6.3549 -5.3581 -5.3576 -5.3518 -5.3512 -1.0803 -1.0731 -0.8753 -0.8535 -0.0557 -0.0153 0.0776 0.0986 0.6535 0.6667 0.9783 0.9928 1.4806 1.4898 2.5201 2.5310 3.2734 3.2780 3.2802 3.2825 3.6392 3.6422 4.4045 4.4056 4.8421 4.8574 4.8674 4.8724 5.0957 5.1074 5.3494 5.3622 5.4559 5.4576 9.0706 9.0710 9.7369 9.7815 9.8418 9.8569 9.8935 9.9293 10.2649 10.2718 10.8047 10.8224 k = 0.5000 0.3788-0.0000 ( 4952 PWs) bands (ev): -8.3493 -8.3493 -8.3290 -8.3290 -8.2654 -8.2654 -8.2202 -8.2202 -7.9134 -7.9134 -7.9116 -7.9116 -7.7575 -7.7575 -7.7458 -7.7458 -7.7053 -7.7053 -7.6980 -7.6980 -6.5260 -6.5260 -6.3560 -6.3560 -5.3573 -5.3573 -5.3510 -5.3510 -1.0769 -1.0769 -0.8639 -0.8639 -0.0359 -0.0359 0.0867 0.0867 0.6595 0.6595 0.9854 0.9854 1.4853 1.4853 2.5297 2.5297 3.2761 3.2761 3.2786 3.2786 3.6411 3.6411 4.4063 4.4063 4.8534 4.8534 4.8719 4.8719 5.1008 5.1008 5.3538 5.3538 5.4556 5.4556 9.0678 9.0678 9.7608 9.7608 9.8577 9.8577 9.8957 9.8957 10.2661 10.2661 10.8097 10.8097 k = 0.0000 0.0000 0.8281 ( 4992 PWs) bands (ev): -8.3774 -8.3774 -8.3205 -8.3205 -8.2605 -8.2605 -8.2070 -8.2070 -7.9802 -7.9802 -7.8568 -7.8568 -7.7686 -7.7686 -7.7565 -7.7565 -7.7120 -7.7120 -7.6891 -7.6891 -6.2823 -6.2823 -6.1809 -6.1809 -5.6242 -5.6242 -5.4026 -5.4026 -0.9240 -0.9240 -0.8477 -0.8477 -0.0904 -0.0904 0.1063 0.1063 0.6202 0.6202 0.8814 0.8814 0.9746 0.9746 1.3809 1.3809 2.9141 2.9141 3.2769 3.2769 3.6269 3.6269 4.8237 4.8237 4.9611 4.9611 5.4574 5.4574 5.5063 5.5063 5.7417 5.7417 5.8743 5.8743 8.6323 8.6323 9.6104 9.6104 10.4090 10.4090 11.6031 11.6031 11.9964 11.9964 12.3257 12.3257 k = 0.0156 0.0118 0.8281 ( 4982 PWs) bands (ev): -8.3784 -8.3763 -8.3224 -8.3186 -8.2634 -8.2575 -8.2093 -8.2050 -7.9807 -7.9794 -7.8613 -7.8524 -7.7691 -7.7680 -7.7567 -7.7562 -7.7133 -7.7108 -7.6896 -7.6886 -6.2831 -6.2814 -6.1821 -6.1797 -5.6247 -5.6238 -5.4035 -5.4017 -0.9275 -0.9206 -0.8503 -0.8451 -0.0921 -0.0865 0.0941 0.1194 0.6141 0.6261 0.8802 0.8821 0.9734 0.9772 1.3758 1.3792 2.9065 2.9090 3.2806 3.2826 3.6331 3.6371 4.8221 4.8221 4.9603 4.9605 5.4567 5.4580 5.5055 5.5066 5.7393 5.7401 5.8719 5.8725 8.6356 8.6359 9.6117 9.6124 10.4055 10.4062 11.6032 11.6037 11.9959 11.9984 12.3263 12.3264 k = 0.0312 0.0237 0.8281 ( 4978 PWs) bands (ev): -8.3794 -8.3752 -8.3242 -8.3166 -8.2661 -8.2543 -8.2118 -8.2032 -7.9811 -7.9783 -7.8660 -7.8481 -7.7697 -7.7676 -7.7569 -7.7559 -7.7146 -7.7095 -7.6901 -7.6881 -6.2839 -6.2804 -6.1832 -6.1785 -5.6253 -5.6235 -5.4044 -5.4009 -0.9312 -0.9175 -0.8530 -0.8425 -0.0919 -0.0802 0.0832 0.1332 0.6082 0.6315 0.8784 0.8824 0.9735 0.9812 1.3639 1.3707 2.8870 2.8917 3.2934 3.2974 3.6549 3.6625 4.8174 4.8175 4.9581 4.9584 5.4557 5.4583 5.5040 5.5062 5.7330 5.7345 5.8654 5.8666 8.6458 8.6463 9.6163 9.6176 10.3957 10.3971 11.6039 11.6049 11.9970 12.0018 12.3281 12.3283 k = 0.0469 0.0355 0.8281 ( 4986 PWs) bands (ev): -8.3803 -8.3741 -8.3259 -8.3146 -8.2686 -8.2512 -8.2145 -8.2018 -7.9814 -7.9771 -7.8708 -7.8441 -7.7703 -7.7673 -7.7570 -7.7554 -7.7159 -7.7083 -7.6907 -7.6878 -6.2846 -6.2794 -6.1843 -6.1773 -5.6260 -5.6233 -5.4054 -5.4001 -0.9348 -0.9146 -0.8556 -0.8399 -0.0900 -0.0716 0.0740 0.1473 0.6026 0.6364 0.8760 0.8823 0.9744 0.9867 1.3461 1.3560 2.8582 2.8646 3.3150 3.3211 3.6900 3.7006 4.8095 4.8098 4.9543 4.9549 5.4546 5.4585 5.5020 5.5052 5.7230 5.7252 5.8551 5.8569 8.6625 8.6631 9.6239 9.6259 10.3798 10.3820 11.6051 11.6066 11.9997 12.0067 12.3312 12.3312 k = 0.0625 0.0473 0.8281 ( 4984 PWs) bands (ev): -8.3812 -8.3730 -8.3275 -8.3126 -8.2710 -8.2480 -8.2174 -8.2006 -7.9815 -7.9756 -7.8757 -7.8402 -7.7710 -7.7671 -7.7571 -7.7548 -7.7171 -7.7071 -7.6913 -7.6874 -6.2851 -6.2783 -6.1854 -6.1761 -5.6268 -5.6233 -5.4063 -5.3993 -0.9384 -0.9122 -0.8583 -0.8372 -0.0870 -0.0606 0.0669 0.1613 0.5976 0.6405 0.8732 0.8821 0.9758 0.9934 1.3232 1.3356 2.8230 2.8305 3.3446 3.3527 3.7354 3.7485 4.7983 4.7988 4.9489 4.9496 5.4533 5.4583 5.4995 5.5036 5.7097 5.7126 5.8416 5.8439 8.6852 8.6861 9.6343 9.6370 10.3583 10.3613 11.6067 11.6088 12.0042 12.0133 12.3350 12.3356 k = 0.0781 0.0592 0.8281 ( 4968 PWs) bands (ev): -8.3820 -8.3718 -8.3290 -8.3107 -8.2730 -8.2447 -8.2204 -8.1997 -7.9815 -7.9738 -7.8806 -7.8365 -7.7715 -7.7670 -7.7572 -7.7542 -7.7183 -7.7059 -7.6919 -7.6871 -6.2856 -6.2772 -6.1864 -6.1749 -5.6277 -5.6233 -5.4073 -5.3986 -0.9419 -0.9101 -0.8610 -0.8345 -0.0835 -0.0475 0.0627 0.1749 0.5937 0.6435 0.8700 0.8821 0.9771 1.0011 1.2965 1.3107 2.7840 2.7921 3.3813 3.3914 3.7884 3.8035 4.7838 4.7847 4.9416 4.9424 5.4519 5.4579 5.4966 5.5014 5.6937 5.6972 5.8254 5.8282 8.7134 8.7144 9.6472 9.6505 10.3316 10.3354 11.6086 11.6112 12.0108 12.0217 12.3395 12.3413 k = 0.0938 0.0710 0.8281 ( 4956 PWs) bands (ev): -8.3827 -8.3706 -8.3304 -8.3089 -8.2746 -8.2414 -8.2235 -8.1992 -7.9814 -7.9717 -7.8856 -7.8330 -7.7721 -7.7670 -7.7572 -7.7534 -7.7194 -7.7047 -7.6925 -7.6869 -6.2861 -6.2761 -6.1873 -6.1738 -5.6286 -5.6234 -5.4082 -5.3980 -0.9452 -0.9083 -0.8637 -0.8318 -0.0802 -0.0325 0.0616 0.1878 0.5910 0.6453 0.8664 0.8823 0.9776 1.0096 1.2674 1.2823 2.7432 2.7516 3.4238 3.4359 3.8467 3.8635 4.7660 4.7674 4.9321 4.9330 5.4504 5.4573 5.4932 5.4985 5.6756 5.6796 5.8074 5.8107 8.7463 8.7474 9.6621 9.6660 10.3003 10.3050 11.6106 11.6137 12.0194 12.0319 12.3444 12.3481 k = 0.1094 0.0829 0.8281 ( 4968 PWs) bands (ev): -8.3834 -8.3696 -8.3317 -8.3074 -8.2758 -8.2382 -8.2268 -8.1990 -7.9812 -7.9693 -7.8907 -7.8297 -7.7726 -7.7672 -7.7573 -7.7526 -7.7205 -7.7037 -7.6932 -7.6867 -6.2864 -6.2751 -6.1882 -6.1728 -5.6296 -5.6236 -5.4090 -5.3974 -0.9483 -0.9070 -0.8663 -0.8291 -0.0779 -0.0158 0.0642 0.1996 0.5902 0.6459 0.8622 0.8831 0.9765 1.0185 1.2378 1.2515 2.7025 2.7109 3.4709 3.4850 3.9084 3.9267 4.7449 4.7470 4.9202 4.9210 5.4488 5.4564 5.4895 5.4950 5.6563 5.6605 5.7884 5.7920 8.7831 8.7842 9.6783 9.6828 10.2653 10.2708 11.6125 11.6161 12.0300 12.0440 12.3499 12.3561 k = 0.1250 0.0947 0.8281 ( 4976 PWs) bands (ev): -8.3841 -8.3685 -8.3328 -8.3062 -8.2766 -8.2349 -8.2302 -8.1991 -7.9810 -7.9667 -7.8958 -7.8267 -7.7731 -7.7674 -7.7573 -7.7517 -7.7216 -7.7027 -7.6938 -7.6866 -6.2867 -6.2740 -6.1890 -6.1718 -5.6305 -5.6238 -5.4099 -5.3969 -0.9512 -0.9060 -0.8687 -0.8265 -0.0767 0.0023 0.0704 0.2097 0.5916 0.6450 0.8573 0.8845 0.9727 1.0275 1.2096 1.2198 2.6631 2.6713 3.5212 3.5373 3.9720 3.9917 4.7206 4.7236 4.9055 4.9062 5.4472 5.4553 5.4856 5.4908 5.6367 5.6408 5.7692 5.7731 8.8225 8.8236 9.6954 9.7004 10.2275 10.2339 11.6141 11.6181 12.0426 12.0580 12.3559 12.3653 k = 0.1406 0.1065 0.8281 ( 4968 PWs) bands (ev): -8.3846 -8.3675 -8.3338 -8.3052 -8.2767 -8.2335 -8.2317 -8.1995 -7.9808 -7.9638 -7.9009 -7.8239 -7.7735 -7.7677 -7.7573 -7.7509 -7.7226 -7.7018 -7.6943 -7.6865 -6.2869 -6.2730 -6.1897 -6.1709 -5.6314 -5.6241 -5.4106 -5.3964 -0.9537 -0.9052 -0.8711 -0.8241 -0.0768 0.0213 0.0798 0.2179 0.5957 0.6429 0.8512 0.8867 0.9654 1.0361 1.1848 1.1883 2.6261 2.6339 3.5733 3.5914 4.0362 4.0573 4.6936 4.6976 4.8879 4.8882 5.4456 5.4540 5.4815 5.4858 5.6178 5.6213 5.7507 5.7548 8.8636 8.8646 9.7127 9.7182 10.1879 10.1953 11.6154 11.6197 12.0569 12.0737 12.3625 12.3759 k = 0.1562 0.1184 0.8281 ( 4964 PWs) bands (ev): -8.3851 -8.3665 -8.3347 -8.3047 -8.2762 -8.2368 -8.2286 -8.2002 -7.9806 -7.9606 -7.9060 -7.8215 -7.7739 -7.7681 -7.7574 -7.7500 -7.7235 -7.7009 -7.6948 -7.6865 -6.2871 -6.2721 -6.1903 -6.1701 -5.6323 -5.6244 -5.4113 -5.3960 -0.9560 -0.9047 -0.8732 -0.8218 -0.0778 0.0407 0.0914 0.2238 0.6029 0.6394 0.8431 0.8897 0.9545 1.0436 1.1584 1.1651 2.5923 2.5997 3.6255 3.6457 4.0997 4.1222 4.6646 4.6697 4.8670 4.8674 5.4441 5.4527 5.4774 5.4802 5.6006 5.6027 5.7335 5.7376 8.9049 8.9057 9.7294 9.7353 10.1480 10.1563 11.6162 11.6207 12.0723 12.0906 12.3699 12.3879 k = 0.1719 0.1302 0.8281 ( 4964 PWs) bands (ev): -8.3855 -8.3657 -8.3355 -8.3044 -8.2752 -8.2401 -8.2256 -8.2012 -7.9804 -7.9572 -7.9110 -7.8193 -7.7742 -7.7685 -7.7574 -7.7492 -7.7243 -7.7002 -7.6953 -7.6864 -6.2872 -6.2713 -6.1909 -6.1694 -5.6330 -5.6247 -5.4119 -5.3957 -0.9579 -0.9044 -0.8751 -0.8197 -0.0794 0.0599 0.1042 0.2273 0.6135 0.6350 0.8320 0.8936 0.9412 1.0488 1.1321 1.1510 2.5625 2.5695 3.6761 3.6985 4.1610 4.1851 4.6344 4.6408 4.8426 4.8441 5.4428 5.4514 5.4734 5.4740 5.5856 5.5859 5.7183 5.7222 8.9449 8.9454 9.7451 9.7512 10.1091 10.1185 11.6165 11.6212 12.0883 12.1083 12.3780 12.4013 k = 0.1875 0.1420 0.8281 ( 4968 PWs) bands (ev): -8.3858 -8.3649 -8.3361 -8.3044 -8.2738 -8.2432 -8.2227 -8.2024 -7.9802 -7.9536 -7.9160 -7.8175 -7.7745 -7.7688 -7.7574 -7.7485 -7.7250 -7.6996 -7.6957 -7.6864 -6.2873 -6.2707 -6.1913 -6.1688 -5.6337 -5.6249 -5.4124 -5.3954 -0.9595 -0.9042 -0.8767 -0.8180 -0.0811 0.0783 0.1169 0.2283 0.6276 0.6300 0.8165 0.8982 0.9279 1.0497 1.1119 1.1419 2.5372 2.5438 3.7230 3.7477 4.2186 4.2444 4.6047 4.6123 4.8158 4.8190 5.4419 5.4502 5.4676 5.4697 5.5714 5.5735 5.7054 5.7091 8.9818 8.9821 9.7589 9.7653 10.0731 10.0835 11.6164 11.6212 12.1039 12.1258 12.3866 12.4158 k = 0.2031 0.1539 0.8281 ( 4968 PWs) bands (ev): -8.3861 -8.3644 -8.3366 -8.3045 -8.2722 -8.2460 -8.2200 -8.2038 -7.9800 -7.9498 -7.9208 -7.8161 -7.7747 -7.7692 -7.7574 -7.7479 -7.7255 -7.6991 -7.6961 -7.6865 -6.2874 -6.2701 -6.1916 -6.1683 -5.6342 -5.6251 -5.4128 -5.3952 -0.9607 -0.9041 -0.8780 -0.8166 -0.0827 0.0949 0.1286 0.2273 0.6251 0.6454 0.7961 0.9031 0.9170 1.0444 1.1006 1.1365 2.5170 2.5232 3.7638 3.7907 4.2702 4.2977 4.5777 4.5860 4.7881 4.7937 5.4415 5.4492 5.4612 5.4663 5.5598 5.5644 5.6952 5.6986 9.0136 9.0136 9.7704 9.7768 10.0419 10.0533 11.6161 11.6209 12.1182 12.1419 12.3950 12.4305 k = 0.2188 0.1657 0.8281 ( 4968 PWs) bands (ev): -8.3863 -8.3639 -8.3369 -8.3047 -8.2706 -8.2485 -8.2176 -8.2053 -7.9799 -7.9460 -7.9254 -7.8150 -7.7749 -7.7694 -7.7574 -7.7475 -7.7260 -7.6987 -7.6963 -7.6865 -6.2874 -6.2697 -6.1919 -6.1680 -5.6346 -5.6253 -5.4131 -5.3951 -0.9616 -0.9040 -0.8789 -0.8155 -0.0840 0.1085 0.1378 0.2250 0.6208 0.6663 0.7719 0.9079 0.9095 1.0349 1.0968 1.1337 2.5023 2.5081 3.7958 3.8248 4.3125 4.3416 4.5558 4.5642 4.7622 4.7707 5.4418 5.4485 5.4555 5.4637 5.5512 5.5581 5.6878 5.6909 9.0382 9.0384 9.7791 9.7853 10.0176 10.0299 11.6157 11.6204 12.1297 12.1552 12.4024 12.4439 k = 0.2344 0.1775 0.8281 ( 4968 PWs) bands (ev): -8.3864 -8.3637 -8.3371 -8.3048 -8.2694 -8.2502 -8.2158 -8.2066 -7.9798 -7.9424 -7.9295 -7.8144 -7.7750 -7.7696 -7.7574 -7.7472 -7.7262 -7.6985 -7.6965 -7.6865 -6.2874 -6.2695 -6.1920 -6.1678 -5.6349 -5.6254 -5.4133 -5.3950 -0.9621 -0.9040 -0.8795 -0.8149 -0.0848 0.1177 0.1439 0.2227 0.6180 0.6896 0.7458 0.9052 0.9115 1.0268 1.0962 1.1323 2.4934 2.4990 3.8164 3.8469 4.3412 4.3712 4.5418 4.5495 4.7428 4.7541 5.4427 5.4481 5.4511 5.4620 5.5461 5.5544 5.6834 5.6863 9.0538 9.0542 9.7844 9.7906 10.0020 10.0149 11.6153 11.6201 12.1372 12.1641 12.4075 12.4537 k = 0.2500 0.1894 0.8281 ( 4952 PWs) bands (ev): -8.3864 -8.3635 -8.3372 -8.3048 -8.2689 -8.2508 -8.2150 -8.2072 -7.9798 -7.9405 -7.9314 -7.8141 -7.7750 -7.7696 -7.7574 -7.7470 -7.7263 -7.6984 -7.6965 -7.6865 -6.2874 -6.2694 -6.1921 -6.1677 -5.6350 -5.6254 -5.4134 -5.3949 -0.9623 -0.9040 -0.8797 -0.8147 -0.0851 0.1210 0.1459 0.2218 0.6169 0.7082 0.7262 0.9039 0.9128 1.0237 1.0962 1.1319 2.4904 2.4959 3.8235 3.8545 4.3515 4.3818 4.5371 4.5443 4.7354 4.7479 5.4435 5.4480 5.4491 5.4614 5.5443 5.5533 5.6819 5.6848 9.0591 9.0597 9.7862 9.7924 9.9967 10.0098 11.6152 11.6200 12.1399 12.1672 12.4093 12.4574 Writing output data file Ga2HgS4.save init_run : 3.06s CPU 12.59s WALL ( 1 calls) electrons : 1822.36s CPU 1841.89s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.49s CPU 1.53s WALL ( 1 calls) Called by electrons: c_bands : 1822.28s CPU 1841.53s WALL ( 1 calls) v_of_rho : 0.20s CPU 0.89s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.19s CPU 0.64s WALL ( 1 calls) newd : 0.98s CPU 1.04s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.37s WALL ( 289 calls) cegterg : 1738.76s CPU 1753.21s WALL ( 758 calls) Called by sum_band: Called by *egterg: h_psi : 862.36s CPU 874.57s WALL ( 13510 calls) s_psi : 94.00s CPU 94.31s WALL ( 13510 calls) g_psi : 1.25s CPU 1.31s WALL ( 12463 calls) cdiaghg : 588.42s CPU 585.99s WALL ( 12752 calls) cegterg:over : 128.36s CPU 125.46s WALL ( 12463 calls) cegterg:upda : 32.20s CPU 35.45s WALL ( 12463 calls) cegterg:last : 26.31s CPU 27.00s WALL ( 2203 calls) Called by h_psi: h_psi:vloc : 691.62s CPU 700.46s WALL ( 13510 calls) h_psi:vnl : 170.26s CPU 172.85s WALL ( 13510 calls) add_vuspsi : 68.94s CPU 73.47s WALL ( 13510 calls) General routines calbec : 101.25s CPU 99.22s WALL ( 13510 calls) fft : 0.36s CPU 1.55s WALL ( 19 calls) ffts : 0.01s CPU 0.01s WALL ( 4 calls) fftw : 639.77s CPU 647.89s WALL ( 1942444 calls) interpolate : 0.15s CPU 0.17s WALL ( 4 calls) davcio : 0.04s CPU 2.31s WALL ( 578 calls) Parallel routines fft_scatter : 362.91s CPU 361.99s WALL ( 1942467 calls) PWSCF : 31m34.47s CPU 34m15.01s WALL This run was terminated on: 8:52:16 23Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=