Program PWSCF v.5.1.1 starts on 19Jun2016 at 6:35:17 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: ./SrGe3Pd.save/ file Pd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D 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 86 30 9 2304 483 78 Max 87 31 10 2306 501 80 Sum 4137 1459 437 110625 23535 3773 bravais-lattice index = 14 lattice parameter (alat) = 11.3923 a.u. unit-cell volume = 690.2572 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 40.0000 Ry charge density cutoff = 448.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.392288 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.726055 celldm(5)= -0.726055 celldm(6)= 0.452110 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.452110 0.891962 0.000000 ) a(3) = ( -0.726055 -0.445981 0.523398 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.506871 0.955297 ) b(2) = ( 0.000000 1.121124 0.955297 ) b(3) = ( 0.000000 0.000000 1.910594 ) PseudoPot. # 1 for Ge read from file: /home/autes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Pd read from file: /home/autes/Pseudo/Pd.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: c739162b63f03a64c3c1b37175d261f3 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1235 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 Sr read from file: /home/autes/Pseudo/Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 971034ad0a3914f6282d12395b0824f8 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1221 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 Ge 4.00 72.64000 Ge( 1.00) Pd 10.00 106.42000 Pd( 1.00) Sr 10.00 87.62000 Sr( 1.00) 2 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 2) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_s (m) there are 4 classes and 2 irreducible representations the character table: E -E s -s G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E s -s G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 s 2 -E -1 -s -2 Cartesian axes number of k points= 330 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030303 k( 2) = ( 0.0000000 0.0000000 0.0191059), wk = 0.0030303 k( 3) = ( 0.0000000 0.0000000 0.0382119), wk = 0.0030303 k( 4) = ( 0.0000000 0.0000000 0.0573178), wk = 0.0030303 k( 5) = ( 0.0000000 0.0000000 0.0764237), wk = 0.0030303 k( 6) = ( 0.0000000 0.0000000 0.0955297), wk = 0.0030303 k( 7) = ( 0.0000000 0.0000000 0.1146356), wk = 0.0030303 k( 8) = ( 0.0000000 0.0000000 0.1337416), wk = 0.0030303 k( 9) = ( 0.0000000 0.0000000 0.1528475), wk = 0.0030303 k( 10) = ( 0.0000000 0.0000000 0.1719534), wk = 0.0030303 k( 11) = ( 0.0000000 0.0000000 0.1910594), wk = 0.0030303 k( 12) = ( 0.0000000 0.0000000 0.2101653), wk = 0.0030303 k( 13) = ( 0.0000000 0.0000000 0.2292712), wk = 0.0030303 k( 14) = ( 0.0000000 0.0000000 0.2483772), wk = 0.0030303 k( 15) = ( 0.0000000 0.0000000 0.2674831), wk = 0.0030303 k( 16) = ( 0.0000000 0.0000000 0.2865891), wk = 0.0030303 k( 17) = ( 0.0000000 0.0000000 0.3056950), wk = 0.0030303 k( 18) = ( 0.0000000 0.0000000 0.3248009), wk = 0.0030303 k( 19) = ( 0.0000000 0.0000000 0.3439069), wk = 0.0030303 k( 20) = ( 0.0000000 0.0000000 0.3630128), wk = 0.0030303 k( 21) = ( 0.0000000 0.0000000 0.3821187), wk = 0.0030303 k( 22) = ( 0.0000000 0.0000000 0.4012247), wk = 0.0030303 k( 23) = ( 0.0000000 0.0000000 0.4203306), wk = 0.0030303 k( 24) = ( 0.0000000 0.0000000 0.4394366), wk = 0.0030303 k( 25) = ( 0.0000000 0.0000000 0.4585425), wk = 0.0030303 k( 26) = ( 0.0000000 0.0000000 0.4776484), wk = 0.0030303 k( 27) = ( 0.0000000 0.0000000 0.4967544), wk = 0.0030303 k( 28) = ( 0.0000000 0.0000000 0.5158603), wk = 0.0030303 k( 29) = ( 0.0000000 0.0000000 0.5349662), wk = 0.0030303 k( 30) = ( 0.0000000 0.0000000 0.5540722), wk = 0.0030303 k( 31) = ( 0.0000000 0.0000000 0.5731781), wk = 0.0030303 k( 32) = ( 0.0000000 0.0000000 0.5922841), wk = 0.0030303 k( 33) = ( 0.0000000 0.0000000 0.6113900), wk = 0.0030303 k( 34) = ( 0.0000000 0.0000000 0.6304959), wk = 0.0030303 k( 35) = ( 0.0000000 0.0000000 0.6496019), wk = 0.0030303 k( 36) = ( 0.0000000 0.0000000 0.6687078), wk = 0.0030303 k( 37) = ( 0.0000000 0.0000000 0.6878137), wk = 0.0030303 k( 38) = ( 0.0000000 0.0000000 0.7069197), wk = 0.0030303 k( 39) = ( 0.0000000 0.0000000 0.7260256), wk = 0.0030303 k( 40) = ( 0.0000000 0.0000000 0.7451315), wk = 0.0030303 k( 41) = ( 0.0000000 0.0000000 0.7642375), wk = 0.0030303 k( 42) = ( 0.0000000 0.0000000 0.7833434), wk = 0.0030303 k( 43) = ( 0.0000000 0.0000000 0.8024494), wk = 0.0030303 k( 44) = ( 0.0000000 0.0000000 0.8215553), wk = 0.0030303 k( 45) = ( 0.0000000 0.0000000 0.8406612), wk = 0.0030303 k( 46) = ( 0.0000000 0.0000000 0.8597672), wk = 0.0030303 k( 47) = ( 0.0000000 0.0000000 0.8788731), wk = 0.0030303 k( 48) = ( 0.0000000 0.0000000 0.8979790), wk = 0.0030303 k( 49) = ( 0.0000000 0.0000000 0.9170850), wk = 0.0030303 k( 50) = ( 0.0000000 0.0000000 0.9361909), wk = 0.0030303 k( 51) = ( 0.0000000 0.0000000 0.9552969), wk = 0.0030303 k( 52) = ( 0.0000000 0.0000000 0.9552969), wk = 0.0030303 k( 53) = ( -0.0094327 0.0153563 0.9552969), wk = 0.0030303 k( 54) = ( -0.0188653 0.0307126 0.9552969), wk = 0.0030303 k( 55) = ( -0.0282979 0.0460689 0.9552969), wk = 0.0030303 k( 56) = ( -0.0377306 0.0614252 0.9552969), wk = 0.0030303 k( 57) = ( -0.0471633 0.0767816 0.9552969), wk = 0.0030303 k( 58) = ( -0.0565959 0.0921379 0.9552969), wk = 0.0030303 k( 59) = ( -0.0660286 0.1074942 0.9552969), wk = 0.0030303 k( 60) = ( -0.0754612 0.1228505 0.9552969), wk = 0.0030303 k( 61) = ( -0.0848939 0.1382068 0.9552969), wk = 0.0030303 k( 62) = ( -0.0943265 0.1535631 0.9552969), wk = 0.0030303 k( 63) = ( -0.0943265 0.1535631 0.9552969), wk = 0.0030303 k( 64) = ( -0.1013209 0.1649499 0.9419335), wk = 0.0030303 k( 65) = ( -0.1083153 0.1763367 0.9285701), wk = 0.0030303 k( 66) = ( -0.1153096 0.1877235 0.9152067), wk = 0.0030303 k( 67) = ( -0.1223040 0.1991103 0.9018433), wk = 0.0030303 k( 68) = ( -0.1292984 0.2104971 0.8884799), wk = 0.0030303 k( 69) = ( -0.1362927 0.2218839 0.8751165), wk = 0.0030303 k( 70) = ( -0.1432871 0.2332707 0.8617531), wk = 0.0030303 k( 71) = ( -0.1502815 0.2446575 0.8483897), wk = 0.0030303 k( 72) = ( -0.1572758 0.2560443 0.8350263), wk = 0.0030303 k( 73) = ( -0.1642702 0.2674311 0.8216629), wk = 0.0030303 k( 74) = ( -0.1712646 0.2788179 0.8082994), wk = 0.0030303 k( 75) = ( -0.1782590 0.2902047 0.7949360), wk = 0.0030303 k( 76) = ( -0.1852533 0.3015915 0.7815726), wk = 0.0030303 k( 77) = ( -0.1922477 0.3129783 0.7682092), wk = 0.0030303 k( 78) = ( -0.1992421 0.3243651 0.7548458), wk = 0.0030303 k( 79) = ( -0.2062364 0.3357519 0.7414824), wk = 0.0030303 k( 80) = ( -0.2132308 0.3471387 0.7281190), wk = 0.0030303 k( 81) = ( -0.2202252 0.3585255 0.7147556), wk = 0.0030303 k( 82) = ( -0.2272195 0.3699123 0.7013923), wk = 0.0030303 k( 83) = ( -0.2342139 0.3812991 0.6880289), wk = 0.0030303 k( 84) = ( -0.2412083 0.3926859 0.6746655), wk = 0.0030303 k( 85) = ( -0.2482027 0.4040727 0.6613021), wk = 0.0030303 k( 86) = ( -0.2551970 0.4154595 0.6479387), wk = 0.0030303 k( 87) = ( -0.2621914 0.4268463 0.6345753), wk = 0.0030303 k( 88) = ( -0.2691858 0.4382331 0.6212119), wk = 0.0030303 k( 89) = ( -0.2761801 0.4496199 0.6078485), wk = 0.0030303 k( 90) = ( -0.2831745 0.4610067 0.5944851), wk = 0.0030303 k( 91) = ( -0.2901689 0.4723936 0.5811217), wk = 0.0030303 k( 92) = ( -0.2971633 0.4837804 0.5677583), wk = 0.0030303 k( 93) = ( -0.2971633 0.4837804 0.5677583), wk = 0.0030303 k( 94) = ( -0.2900879 0.4722618 0.5542402), wk = 0.0030303 k( 95) = ( -0.2830126 0.4607432 0.5407221), wk = 0.0030303 k( 96) = ( -0.2759373 0.4492246 0.5272041), wk = 0.0030303 k( 97) = ( -0.2688620 0.4377060 0.5136860), wk = 0.0030303 k( 98) = ( -0.2617867 0.4261875 0.5001680), wk = 0.0030303 k( 99) = ( -0.2547114 0.4146689 0.4866499), wk = 0.0030303 k( 100) = ( -0.2476360 0.4031503 0.4731319), wk = 0.0030303 k( 101) = ( -0.2405607 0.3916317 0.4596138), wk = 0.0030303 k( 102) = ( -0.2334854 0.3801131 0.4460958), wk = 0.0030303 k( 103) = ( -0.2264101 0.3685946 0.4325777), wk = 0.0030303 k( 104) = ( -0.2193348 0.3570760 0.4190597), wk = 0.0030303 k( 105) = ( -0.2122595 0.3455574 0.4055416), wk = 0.0030303 k( 106) = ( -0.2051842 0.3340388 0.3920235), wk = 0.0030303 k( 107) = ( -0.1981088 0.3225202 0.3785055), wk = 0.0030303 k( 108) = ( -0.1910335 0.3110017 0.3649874), wk = 0.0030303 k( 109) = ( -0.1839582 0.2994831 0.3514694), wk = 0.0030303 k( 110) = ( -0.1768829 0.2879645 0.3379513), wk = 0.0030303 k( 111) = ( -0.1698076 0.2764459 0.3244333), wk = 0.0030303 k( 112) = ( -0.1627323 0.2649273 0.3109152), wk = 0.0030303 k( 113) = ( -0.1556569 0.2534087 0.2973972), wk = 0.0030303 k( 114) = ( -0.1485816 0.2418902 0.2838791), wk = 0.0030303 k( 115) = ( -0.1415063 0.2303716 0.2703611), wk = 0.0030303 k( 116) = ( -0.1344310 0.2188530 0.2568430), wk = 0.0030303 k( 117) = ( -0.1273557 0.2073344 0.2433250), wk = 0.0030303 k( 118) = ( -0.1202804 0.1958159 0.2298069), wk = 0.0030303 k( 119) = ( -0.1132051 0.1842973 0.2162889), wk = 0.0030303 k( 120) = ( -0.1061297 0.1727787 0.2027708), wk = 0.0030303 k( 121) = ( -0.0990544 0.1612601 0.1892528), wk = 0.0030303 k( 122) = ( -0.0919791 0.1497415 0.1757347), wk = 0.0030303 k( 123) = ( -0.0849038 0.1382230 0.1622166), wk = 0.0030303 k( 124) = ( -0.0778285 0.1267044 0.1486986), wk = 0.0030303 k( 125) = ( -0.0707532 0.1151858 0.1351805), wk = 0.0030303 k( 126) = ( -0.0636778 0.1036672 0.1216625), wk = 0.0030303 k( 127) = ( -0.0566025 0.0921486 0.1081444), wk = 0.0030303 k( 128) = ( -0.0495272 0.0806301 0.0946264), wk = 0.0030303 k( 129) = ( -0.0424519 0.0691115 0.0811083), wk = 0.0030303 k( 130) = ( -0.0353766 0.0575929 0.0675903), wk = 0.0030303 k( 131) = ( -0.0283013 0.0460743 0.0540722), wk = 0.0030303 k( 132) = ( -0.0212260 0.0345557 0.0405542), wk = 0.0030303 k( 133) = ( -0.0141506 0.0230372 0.0270361), wk = 0.0030303 k( 134) = ( -0.0070753 0.0115186 0.0135181), wk = 0.0030303 k( 135) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030303 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030303 k( 137) = ( 0.0161290 0.0099073 0.0000000), wk = 0.0030303 k( 138) = ( 0.0322581 0.0198146 0.0000000), wk = 0.0030303 k( 139) = ( 0.0483871 0.0297219 0.0000000), wk = 0.0030303 k( 140) = ( 0.0645161 0.0396292 0.0000000), wk = 0.0030303 k( 141) = ( 0.0806452 0.0495365 0.0000000), wk = 0.0030303 k( 142) = ( 0.0967742 0.0594438 0.0000000), wk = 0.0030303 k( 143) = ( 0.1129032 0.0693511 0.0000000), wk = 0.0030303 k( 144) = ( 0.1290323 0.0792584 0.0000000), wk = 0.0030303 k( 145) = ( 0.1451613 0.0891657 0.0000000), wk = 0.0030303 k( 146) = ( 0.1612903 0.0990730 0.0000000), wk = 0.0030303 k( 147) = ( 0.1774194 0.1089803 0.0000000), wk = 0.0030303 k( 148) = ( 0.1935484 0.1188876 0.0000000), wk = 0.0030303 k( 149) = ( 0.2096774 0.1287949 0.0000000), wk = 0.0030303 k( 150) = ( 0.2258064 0.1387022 0.0000000), wk = 0.0030303 k( 151) = ( 0.2419355 0.1486095 0.0000000), wk = 0.0030303 k( 152) = ( 0.2580645 0.1585168 0.0000000), wk = 0.0030303 k( 153) = ( 0.2741936 0.1684241 0.0000000), wk = 0.0030303 k( 154) = ( 0.2903226 0.1783313 0.0000000), wk = 0.0030303 k( 155) = ( 0.3064516 0.1882386 0.0000000), wk = 0.0030303 k( 156) = ( 0.3225807 0.1981459 0.0000000), wk = 0.0030303 k( 157) = ( 0.3387097 0.2080532 0.0000000), wk = 0.0030303 k( 158) = ( 0.3548387 0.2179605 0.0000000), wk = 0.0030303 k( 159) = ( 0.3709677 0.2278678 0.0000000), wk = 0.0030303 k( 160) = ( 0.3870968 0.2377751 0.0000000), wk = 0.0030303 k( 161) = ( 0.4032258 0.2476824 0.0000000), wk = 0.0030303 k( 162) = ( 0.4193548 0.2575897 0.0000000), wk = 0.0030303 k( 163) = ( 0.4354839 0.2674970 0.0000000), wk = 0.0030303 k( 164) = ( 0.4516129 0.2774043 0.0000000), wk = 0.0030303 k( 165) = ( 0.4677419 0.2873116 0.0000000), wk = 0.0030303 k( 166) = ( 0.4838710 0.2972189 0.0000000), wk = 0.0030303 k( 167) = ( 0.5000000 0.3071262 0.0000000), wk = 0.0030303 k( 168) = ( 0.5000000 0.3071262 0.0000000), wk = 0.0030303 k( 169) = ( 0.4930056 0.3185130 0.0133634), wk = 0.0030303 k( 170) = ( 0.4860113 0.3298998 0.0267268), wk = 0.0030303 k( 171) = ( 0.4790169 0.3412866 0.0400902), wk = 0.0030303 k( 172) = ( 0.4720225 0.3526734 0.0534536), wk = 0.0030303 k( 173) = ( 0.4650281 0.3640602 0.0668170), wk = 0.0030303 k( 174) = ( 0.4580338 0.3754470 0.0801804), wk = 0.0030303 k( 175) = ( 0.4510394 0.3868338 0.0935438), wk = 0.0030303 k( 176) = ( 0.4440450 0.3982206 0.1069072), wk = 0.0030303 k( 177) = ( 0.4370507 0.4096074 0.1202706), wk = 0.0030303 k( 178) = ( 0.4300563 0.4209942 0.1336340), wk = 0.0030303 k( 179) = ( 0.4230619 0.4323810 0.1469974), wk = 0.0030303 k( 180) = ( 0.4160676 0.4437678 0.1603608), wk = 0.0030303 k( 181) = ( 0.4090732 0.4551546 0.1737242), wk = 0.0030303 k( 182) = ( 0.4020788 0.4665414 0.1870876), wk = 0.0030303 k( 183) = ( 0.3950844 0.4779282 0.2004510), wk = 0.0030303 k( 184) = ( 0.3880901 0.4893150 0.2138144), wk = 0.0030303 k( 185) = ( 0.3810957 0.5007018 0.2271778), wk = 0.0030303 k( 186) = ( 0.3741013 0.5120886 0.2405412), wk = 0.0030303 k( 187) = ( 0.3671070 0.5234754 0.2539046), wk = 0.0030303 k( 188) = ( 0.3601126 0.5348622 0.2672680), wk = 0.0030303 k( 189) = ( 0.3531182 0.5462490 0.2806314), wk = 0.0030303 k( 190) = ( 0.3461239 0.5576358 0.2939948), wk = 0.0030303 k( 191) = ( 0.3391295 0.5690226 0.3073582), wk = 0.0030303 k( 192) = ( 0.3321351 0.5804094 0.3207216), wk = 0.0030303 k( 193) = ( 0.3251407 0.5917962 0.3340850), wk = 0.0030303 k( 194) = ( 0.3181464 0.6031830 0.3474484), wk = 0.0030303 k( 195) = ( 0.3111520 0.6145699 0.3608118), wk = 0.0030303 k( 196) = ( 0.3041576 0.6259567 0.3741752), wk = 0.0030303 k( 197) = ( 0.2971633 0.6373435 0.3875386), wk = 0.0030303 k( 198) = ( 0.2971633 0.6373435 0.3875386), wk = 0.0030303 k( 199) = ( 0.2796831 0.6328269 0.3928392), wk = 0.0030303 k( 200) = ( 0.2622029 0.6283103 0.3981398), wk = 0.0030303 k( 201) = ( 0.2447227 0.6237938 0.4034403), wk = 0.0030303 k( 202) = ( 0.2272425 0.6192772 0.4087409), wk = 0.0030303 k( 203) = ( 0.2097623 0.6147606 0.4140415), wk = 0.0030303 k( 204) = ( 0.1922821 0.6102441 0.4193421), wk = 0.0030303 k( 205) = ( 0.1748019 0.6057275 0.4246426), wk = 0.0030303 k( 206) = ( 0.1573217 0.6012110 0.4299432), wk = 0.0030303 k( 207) = ( 0.1398415 0.5966944 0.4352438), wk = 0.0030303 k( 208) = ( 0.1223613 0.5921778 0.4405444), wk = 0.0030303 k( 209) = ( 0.1048812 0.5876613 0.4458450), wk = 0.0030303 k( 210) = ( 0.0874010 0.5831447 0.4511455), wk = 0.0030303 k( 211) = ( 0.0699208 0.5786281 0.4564461), wk = 0.0030303 k( 212) = ( 0.0524406 0.5741116 0.4617467), wk = 0.0030303 k( 213) = ( 0.0349604 0.5695950 0.4670473), wk = 0.0030303 k( 214) = ( 0.0174802 0.5650785 0.4723478), wk = 0.0030303 k( 215) = ( 0.0000000 0.5605619 0.4776484), wk = 0.0030303 k( 216) = ( 0.0000000 0.5605619 0.4776484), wk = 0.0030303 k( 217) = ( 0.0069444 0.5492564 0.4909164), wk = 0.0030303 k( 218) = ( 0.0138889 0.5379509 0.5041845), wk = 0.0030303 k( 219) = ( 0.0208333 0.5266453 0.5174525), wk = 0.0030303 k( 220) = ( 0.0277778 0.5153398 0.5307205), wk = 0.0030303 k( 221) = ( 0.0347222 0.5040343 0.5439885), wk = 0.0030303 k( 222) = ( 0.0416667 0.4927288 0.5572565), wk = 0.0030303 k( 223) = ( 0.0486111 0.4814233 0.5705245), wk = 0.0030303 k( 224) = ( 0.0555556 0.4701177 0.5837925), wk = 0.0030303 k( 225) = ( 0.0625000 0.4588122 0.5970605), wk = 0.0030303 k( 226) = ( 0.0694444 0.4475067 0.6103285), wk = 0.0030303 k( 227) = ( 0.0763889 0.4362012 0.6235966), wk = 0.0030303 k( 228) = ( 0.0833333 0.4248956 0.6368646), wk = 0.0030303 k( 229) = ( 0.0902778 0.4135901 0.6501326), wk = 0.0030303 k( 230) = ( 0.0972222 0.4022846 0.6634006), wk = 0.0030303 k( 231) = ( 0.1041667 0.3909791 0.6766686), wk = 0.0030303 k( 232) = ( 0.1111111 0.3796736 0.6899366), wk = 0.0030303 k( 233) = ( 0.1180556 0.3683680 0.7032046), wk = 0.0030303 k( 234) = ( 0.1250000 0.3570625 0.7164726), wk = 0.0030303 k( 235) = ( 0.1319444 0.3457570 0.7297406), wk = 0.0030303 k( 236) = ( 0.1388889 0.3344515 0.7430087), wk = 0.0030303 k( 237) = ( 0.1458333 0.3231459 0.7562767), wk = 0.0030303 k( 238) = ( 0.1527778 0.3118404 0.7695447), wk = 0.0030303 k( 239) = ( 0.1597222 0.3005349 0.7828127), wk = 0.0030303 k( 240) = ( 0.1666667 0.2892294 0.7960807), wk = 0.0030303 k( 241) = ( 0.1736111 0.2779239 0.8093487), wk = 0.0030303 k( 242) = ( 0.1805556 0.2666183 0.8226167), wk = 0.0030303 k( 243) = ( 0.1875000 0.2553128 0.8358847), wk = 0.0030303 k( 244) = ( 0.1944444 0.2440073 0.8491528), wk = 0.0030303 k( 245) = ( 0.2013889 0.2327018 0.8624208), wk = 0.0030303 k( 246) = ( 0.2083333 0.2213962 0.8756888), wk = 0.0030303 k( 247) = ( 0.2152778 0.2100907 0.8889568), wk = 0.0030303 k( 248) = ( 0.2222222 0.1987852 0.9022248), wk = 0.0030303 k( 249) = ( 0.2291667 0.1874797 0.9154928), wk = 0.0030303 k( 250) = ( 0.2361111 0.1761742 0.9287608), wk = 0.0030303 k( 251) = ( 0.2430556 0.1648686 0.9420289), wk = 0.0030303 k( 252) = ( 0.2500000 0.1535631 0.9552969), wk = 0.0030303 k( 253) = ( 0.2500000 0.1535631 0.9552969), wk = 0.0030303 k( 254) = ( 0.2638889 0.1620944 0.9452847), wk = 0.0030303 k( 255) = ( 0.2777778 0.1706257 0.9352725), wk = 0.0030303 k( 256) = ( 0.2916667 0.1791570 0.9252603), wk = 0.0030303 k( 257) = ( 0.3055556 0.1876882 0.9152481), wk = 0.0030303 k( 258) = ( 0.3194444 0.1962195 0.9052358), wk = 0.0030303 k( 259) = ( 0.3333333 0.2047508 0.8952236), wk = 0.0030303 k( 260) = ( 0.3472222 0.2132821 0.8852114), wk = 0.0030303 k( 261) = ( 0.3611111 0.2218134 0.8751992), wk = 0.0030303 k( 262) = ( 0.3750000 0.2303447 0.8651870), wk = 0.0030303 k( 263) = ( 0.3888889 0.2388759 0.8551748), wk = 0.0030303 k( 264) = ( 0.4027778 0.2474072 0.8451626), wk = 0.0030303 k( 265) = ( 0.4166667 0.2559385 0.8351504), wk = 0.0030303 k( 266) = ( 0.4305556 0.2644698 0.8251382), wk = 0.0030303 k( 267) = ( 0.4444444 0.2730011 0.8151260), wk = 0.0030303 k( 268) = ( 0.4583333 0.2815324 0.8051138), wk = 0.0030303 k( 269) = ( 0.4722222 0.2900636 0.7951016), wk = 0.0030303 k( 270) = ( 0.4861111 0.2985949 0.7850894), wk = 0.0030303 k( 271) = ( 0.5000000 0.3071262 0.7750772), wk = 0.0030303 k( 272) = ( 0.5000000 0.3071262 0.7750772), wk = 0.0030303 k( 273) = ( 0.5000000 0.3071262 0.7561729), wk = 0.0030303 k( 274) = ( 0.5000000 0.3071262 0.7372686), wk = 0.0030303 k( 275) = ( 0.5000000 0.3071262 0.7183642), wk = 0.0030303 k( 276) = ( 0.5000000 0.3071262 0.6994599), wk = 0.0030303 k( 277) = ( 0.5000000 0.3071262 0.6805556), wk = 0.0030303 k( 278) = ( 0.5000000 0.3071262 0.6616513), wk = 0.0030303 k( 279) = ( 0.5000000 0.3071262 0.6427470), wk = 0.0030303 k( 280) = ( 0.5000000 0.3071262 0.6238426), wk = 0.0030303 k( 281) = ( 0.5000000 0.3071262 0.6049383), wk = 0.0030303 k( 282) = ( 0.5000000 0.3071262 0.5860340), wk = 0.0030303 k( 283) = ( 0.5000000 0.3071262 0.5671297), wk = 0.0030303 k( 284) = ( 0.5000000 0.3071262 0.5482253), wk = 0.0030303 k( 285) = ( 0.5000000 0.3071262 0.5293210), wk = 0.0030303 k( 286) = ( 0.5000000 0.3071262 0.5104167), wk = 0.0030303 k( 287) = ( 0.5000000 0.3071262 0.4915124), wk = 0.0030303 k( 288) = ( 0.5000000 0.3071262 0.4726081), wk = 0.0030303 k( 289) = ( 0.5000000 0.3071262 0.4537037), wk = 0.0030303 k( 290) = ( 0.5000000 0.3071262 0.4347994), wk = 0.0030303 k( 291) = ( 0.5000000 0.3071262 0.4158951), wk = 0.0030303 k( 292) = ( 0.5000000 0.3071262 0.3969908), wk = 0.0030303 k( 293) = ( 0.5000000 0.3071262 0.3780865), wk = 0.0030303 k( 294) = ( 0.5000000 0.3071262 0.3591821), wk = 0.0030303 k( 295) = ( 0.5000000 0.3071262 0.3402778), wk = 0.0030303 k( 296) = ( 0.5000000 0.3071262 0.3213735), wk = 0.0030303 k( 297) = ( 0.5000000 0.3071262 0.3024692), wk = 0.0030303 k( 298) = ( 0.5000000 0.3071262 0.2835648), wk = 0.0030303 k( 299) = ( 0.5000000 0.3071262 0.2646605), wk = 0.0030303 k( 300) = ( 0.5000000 0.3071262 0.2457562), wk = 0.0030303 k( 301) = ( 0.5000000 0.3071262 0.2268519), wk = 0.0030303 k( 302) = ( 0.5000000 0.3071262 0.2079475), wk = 0.0030303 k( 303) = ( 0.5000000 0.3071262 0.1890432), wk = 0.0030303 k( 304) = ( 0.5000000 0.3071262 0.1701389), wk = 0.0030303 k( 305) = ( 0.5000000 0.3071262 0.1512346), wk = 0.0030303 k( 306) = ( 0.5000000 0.3071262 0.1323303), wk = 0.0030303 k( 307) = ( 0.5000000 0.3071262 0.1134259), wk = 0.0030303 k( 308) = ( 0.5000000 0.3071262 0.0945216), wk = 0.0030303 k( 309) = ( 0.5000000 0.3071262 0.0756173), wk = 0.0030303 k( 310) = ( 0.5000000 0.3071262 0.0567130), wk = 0.0030303 k( 311) = ( 0.5000000 0.3071262 0.0378086), wk = 0.0030303 k( 312) = ( 0.5000000 0.3071262 0.0189043), wk = 0.0030303 k( 313) = ( 0.5000000 0.3071262 0.0000000), wk = 0.0030303 k( 314) = ( 0.0000000 0.0000000 0.9552969), wk = 0.0030303 k( 315) = ( 0.0156250 0.0095977 0.9552969), wk = 0.0030303 k( 316) = ( 0.0312500 0.0191954 0.9552969), wk = 0.0030303 k( 317) = ( 0.0468750 0.0287931 0.9552969), wk = 0.0030303 k( 318) = ( 0.0625000 0.0383908 0.9552969), wk = 0.0030303 k( 319) = ( 0.0781250 0.0479885 0.9552969), wk = 0.0030303 k( 320) = ( 0.0937500 0.0575862 0.9552969), wk = 0.0030303 k( 321) = ( 0.1093750 0.0671839 0.9552969), wk = 0.0030303 k( 322) = ( 0.1250000 0.0767816 0.9552969), wk = 0.0030303 k( 323) = ( 0.1406250 0.0863792 0.9552969), wk = 0.0030303 k( 324) = ( 0.1562500 0.0959769 0.9552969), wk = 0.0030303 k( 325) = ( 0.1718750 0.1055746 0.9552969), wk = 0.0030303 k( 326) = ( 0.1875000 0.1151723 0.9552969), wk = 0.0030303 k( 327) = ( 0.2031250 0.1247700 0.9552969), wk = 0.0030303 k( 328) = ( 0.2187500 0.1343677 0.9552969), wk = 0.0030303 k( 329) = ( 0.2343750 0.1439654 0.9552969), wk = 0.0030303 k( 330) = ( 0.2500000 0.1535631 0.9552969), wk = 0.0030303 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030303 k( 2) = ( 0.0000000 0.0000000 0.0100000), wk = 0.0030303 k( 3) = ( 0.0000000 0.0000000 0.0200000), wk = 0.0030303 k( 4) = ( 0.0000000 0.0000000 0.0300000), wk = 0.0030303 k( 5) = ( 0.0000000 0.0000000 0.0400000), wk = 0.0030303 k( 6) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0030303 k( 7) = ( 0.0000000 0.0000000 0.0600000), wk = 0.0030303 k( 8) = ( 0.0000000 0.0000000 0.0700000), wk = 0.0030303 k( 9) = ( 0.0000000 0.0000000 0.0800000), wk = 0.0030303 k( 10) = ( 0.0000000 0.0000000 0.0900000), wk = 0.0030303 k( 11) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0030303 k( 12) = ( 0.0000000 0.0000000 0.1100000), wk = 0.0030303 k( 13) = ( 0.0000000 0.0000000 0.1200000), wk = 0.0030303 k( 14) = ( 0.0000000 0.0000000 0.1300000), wk = 0.0030303 k( 15) = ( 0.0000000 0.0000000 0.1400000), wk = 0.0030303 k( 16) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0030303 k( 17) = ( 0.0000000 0.0000000 0.1600000), wk = 0.0030303 k( 18) = ( 0.0000000 0.0000000 0.1700000), wk = 0.0030303 k( 19) = ( 0.0000000 0.0000000 0.1800000), wk = 0.0030303 k( 20) = ( 0.0000000 0.0000000 0.1900000), wk = 0.0030303 k( 21) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0030303 k( 22) = ( 0.0000000 0.0000000 0.2100000), wk = 0.0030303 k( 23) = ( 0.0000000 0.0000000 0.2200000), wk = 0.0030303 k( 24) = ( 0.0000000 0.0000000 0.2300000), wk = 0.0030303 k( 25) = ( 0.0000000 0.0000000 0.2400000), wk = 0.0030303 k( 26) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0030303 k( 27) = ( 0.0000000 0.0000000 0.2600000), wk = 0.0030303 k( 28) = ( 0.0000000 0.0000000 0.2700000), wk = 0.0030303 k( 29) = ( 0.0000000 0.0000000 0.2800000), wk = 0.0030303 k( 30) = ( 0.0000000 0.0000000 0.2900000), wk = 0.0030303 k( 31) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0030303 k( 32) = ( 0.0000000 0.0000000 0.3100000), wk = 0.0030303 k( 33) = ( 0.0000000 0.0000000 0.3200000), wk = 0.0030303 k( 34) = ( 0.0000000 0.0000000 0.3300000), wk = 0.0030303 k( 35) = ( 0.0000000 0.0000000 0.3400000), wk = 0.0030303 k( 36) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0030303 k( 37) = ( 0.0000000 0.0000000 0.3600000), wk = 0.0030303 k( 38) = ( 0.0000000 0.0000000 0.3700000), wk = 0.0030303 k( 39) = ( 0.0000000 0.0000000 0.3800000), wk = 0.0030303 k( 40) = ( 0.0000000 0.0000000 0.3900000), wk = 0.0030303 k( 41) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0030303 k( 42) = ( 0.0000000 0.0000000 0.4100000), wk = 0.0030303 k( 43) = ( 0.0000000 0.0000000 0.4200000), wk = 0.0030303 k( 44) = ( 0.0000000 0.0000000 0.4300000), wk = 0.0030303 k( 45) = ( 0.0000000 0.0000000 0.4400000), wk = 0.0030303 k( 46) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0030303 k( 47) = ( 0.0000000 0.0000000 0.4600000), wk = 0.0030303 k( 48) = ( 0.0000000 0.0000000 0.4700000), wk = 0.0030303 k( 49) = ( 0.0000000 0.0000000 0.4800000), wk = 0.0030303 k( 50) = ( 0.0000000 0.0000000 0.4900000), wk = 0.0030303 k( 51) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030303 k( 52) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030303 k( 53) = ( -0.0094327 0.0094327 0.5000000), wk = 0.0030303 k( 54) = ( -0.0188653 0.0188653 0.5000000), wk = 0.0030303 k( 55) = ( -0.0282979 0.0282979 0.5000000), wk = 0.0030303 k( 56) = ( -0.0377306 0.0377306 0.5000000), wk = 0.0030303 k( 57) = ( -0.0471633 0.0471633 0.5000000), wk = 0.0030303 k( 58) = ( -0.0565959 0.0565959 0.5000000), wk = 0.0030303 k( 59) = ( -0.0660286 0.0660286 0.5000000), wk = 0.0030303 k( 60) = ( -0.0754612 0.0754612 0.5000000), wk = 0.0030303 k( 61) = ( -0.0848939 0.0848939 0.5000000), wk = 0.0030303 k( 62) = ( -0.0943265 0.0943265 0.5000000), wk = 0.0030303 k( 63) = ( -0.0943265 0.0943265 0.5000000), wk = 0.0030303 k( 64) = ( -0.1013209 0.1013209 0.4930056), wk = 0.0030303 k( 65) = ( -0.1083153 0.1083153 0.4860113), wk = 0.0030303 k( 66) = ( -0.1153096 0.1153096 0.4790169), wk = 0.0030303 k( 67) = ( -0.1223040 0.1223040 0.4720225), wk = 0.0030303 k( 68) = ( -0.1292984 0.1292984 0.4650281), wk = 0.0030303 k( 69) = ( -0.1362927 0.1362927 0.4580338), wk = 0.0030303 k( 70) = ( -0.1432871 0.1432871 0.4510394), wk = 0.0030303 k( 71) = ( -0.1502815 0.1502815 0.4440450), wk = 0.0030303 k( 72) = ( -0.1572758 0.1572759 0.4370507), wk = 0.0030303 k( 73) = ( -0.1642702 0.1642702 0.4300563), wk = 0.0030303 k( 74) = ( -0.1712646 0.1712646 0.4230619), wk = 0.0030303 k( 75) = ( -0.1782590 0.1782590 0.4160676), wk = 0.0030303 k( 76) = ( -0.1852533 0.1852533 0.4090732), wk = 0.0030303 k( 77) = ( -0.1922477 0.1922477 0.4020788), wk = 0.0030303 k( 78) = ( -0.1992421 0.1992421 0.3950844), wk = 0.0030303 k( 79) = ( -0.2062364 0.2062364 0.3880901), wk = 0.0030303 k( 80) = ( -0.2132308 0.2132308 0.3810957), wk = 0.0030303 k( 81) = ( -0.2202252 0.2202252 0.3741013), wk = 0.0030303 k( 82) = ( -0.2272195 0.2272196 0.3671070), wk = 0.0030303 k( 83) = ( -0.2342139 0.2342139 0.3601126), wk = 0.0030303 k( 84) = ( -0.2412083 0.2412083 0.3531182), wk = 0.0030303 k( 85) = ( -0.2482027 0.2482027 0.3461239), wk = 0.0030303 k( 86) = ( -0.2551970 0.2551970 0.3391295), wk = 0.0030303 k( 87) = ( -0.2621914 0.2621914 0.3321351), wk = 0.0030303 k( 88) = ( -0.2691858 0.2691858 0.3251407), wk = 0.0030303 k( 89) = ( -0.2761801 0.2761801 0.3181464), wk = 0.0030303 k( 90) = ( -0.2831745 0.2831745 0.3111520), wk = 0.0030303 k( 91) = ( -0.2901689 0.2901689 0.3041576), wk = 0.0030303 k( 92) = ( -0.2971633 0.2971633 0.2971633), wk = 0.0030303 k( 93) = ( -0.2971633 0.2971633 0.2971633), wk = 0.0030303 k( 94) = ( -0.2900879 0.2900879 0.2900879), wk = 0.0030303 k( 95) = ( -0.2830126 0.2830126 0.2830126), wk = 0.0030303 k( 96) = ( -0.2759373 0.2759373 0.2759373), wk = 0.0030303 k( 97) = ( -0.2688620 0.2688620 0.2688620), wk = 0.0030303 k( 98) = ( -0.2617867 0.2617867 0.2617867), wk = 0.0030303 k( 99) = ( -0.2547114 0.2547114 0.2547114), wk = 0.0030303 k( 100) = ( -0.2476360 0.2476360 0.2476360), wk = 0.0030303 k( 101) = ( -0.2405607 0.2405607 0.2405607), wk = 0.0030303 k( 102) = ( -0.2334854 0.2334854 0.2334854), wk = 0.0030303 k( 103) = ( -0.2264101 0.2264101 0.2264101), wk = 0.0030303 k( 104) = ( -0.2193348 0.2193348 0.2193348), wk = 0.0030303 k( 105) = ( -0.2122595 0.2122595 0.2122595), wk = 0.0030303 k( 106) = ( -0.2051842 0.2051842 0.2051842), wk = 0.0030303 k( 107) = ( -0.1981088 0.1981088 0.1981088), wk = 0.0030303 k( 108) = ( -0.1910335 0.1910335 0.1910335), wk = 0.0030303 k( 109) = ( -0.1839582 0.1839582 0.1839582), wk = 0.0030303 k( 110) = ( -0.1768829 0.1768829 0.1768829), wk = 0.0030303 k( 111) = ( -0.1698076 0.1698076 0.1698076), wk = 0.0030303 k( 112) = ( -0.1627323 0.1627323 0.1627323), wk = 0.0030303 k( 113) = ( -0.1556569 0.1556569 0.1556569), wk = 0.0030303 k( 114) = ( -0.1485816 0.1485816 0.1485816), wk = 0.0030303 k( 115) = ( -0.1415063 0.1415063 0.1415063), wk = 0.0030303 k( 116) = ( -0.1344310 0.1344310 0.1344310), wk = 0.0030303 k( 117) = ( -0.1273557 0.1273557 0.1273557), wk = 0.0030303 k( 118) = ( -0.1202804 0.1202804 0.1202804), wk = 0.0030303 k( 119) = ( -0.1132051 0.1132051 0.1132051), wk = 0.0030303 k( 120) = ( -0.1061297 0.1061297 0.1061297), wk = 0.0030303 k( 121) = ( -0.0990544 0.0990544 0.0990544), wk = 0.0030303 k( 122) = ( -0.0919791 0.0919791 0.0919791), wk = 0.0030303 k( 123) = ( -0.0849038 0.0849038 0.0849038), wk = 0.0030303 k( 124) = ( -0.0778285 0.0778285 0.0778285), wk = 0.0030303 k( 125) = ( -0.0707532 0.0707532 0.0707532), wk = 0.0030303 k( 126) = ( -0.0636778 0.0636778 0.0636778), wk = 0.0030303 k( 127) = ( -0.0566025 0.0566025 0.0566025), wk = 0.0030303 k( 128) = ( -0.0495272 0.0495272 0.0495272), wk = 0.0030303 k( 129) = ( -0.0424519 0.0424519 0.0424519), wk = 0.0030303 k( 130) = ( -0.0353766 0.0353766 0.0353766), wk = 0.0030303 k( 131) = ( -0.0283013 0.0283013 0.0283013), wk = 0.0030303 k( 132) = ( -0.0212260 0.0212260 0.0212260), wk = 0.0030303 k( 133) = ( -0.0141506 0.0141506 0.0141506), wk = 0.0030303 k( 134) = ( -0.0070753 0.0070753 0.0070753), wk = 0.0030303 k( 135) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030303 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030303 k( 137) = ( 0.0161290 0.0161290 -0.0161290), wk = 0.0030303 k( 138) = ( 0.0322581 0.0322581 -0.0322581), wk = 0.0030303 k( 139) = ( 0.0483871 0.0483871 -0.0483871), wk = 0.0030303 k( 140) = ( 0.0645161 0.0645161 -0.0645161), wk = 0.0030303 k( 141) = ( 0.0806452 0.0806452 -0.0806452), wk = 0.0030303 k( 142) = ( 0.0967742 0.0967742 -0.0967742), wk = 0.0030303 k( 143) = ( 0.1129032 0.1129032 -0.1129032), wk = 0.0030303 k( 144) = ( 0.1290323 0.1290323 -0.1290323), wk = 0.0030303 k( 145) = ( 0.1451613 0.1451613 -0.1451613), wk = 0.0030303 k( 146) = ( 0.1612903 0.1612903 -0.1612903), wk = 0.0030303 k( 147) = ( 0.1774194 0.1774194 -0.1774194), wk = 0.0030303 k( 148) = ( 0.1935484 0.1935484 -0.1935484), wk = 0.0030303 k( 149) = ( 0.2096774 0.2096774 -0.2096774), wk = 0.0030303 k( 150) = ( 0.2258064 0.2258064 -0.2258065), wk = 0.0030303 k( 151) = ( 0.2419355 0.2419355 -0.2419355), wk = 0.0030303 k( 152) = ( 0.2580645 0.2580645 -0.2580645), wk = 0.0030303 k( 153) = ( 0.2741936 0.2741936 -0.2741936), wk = 0.0030303 k( 154) = ( 0.2903226 0.2903226 -0.2903226), wk = 0.0030303 k( 155) = ( 0.3064516 0.3064516 -0.3064516), wk = 0.0030303 k( 156) = ( 0.3225807 0.3225807 -0.3225806), wk = 0.0030303 k( 157) = ( 0.3387097 0.3387097 -0.3387097), wk = 0.0030303 k( 158) = ( 0.3548387 0.3548387 -0.3548387), wk = 0.0030303 k( 159) = ( 0.3709677 0.3709677 -0.3709677), wk = 0.0030303 k( 160) = ( 0.3870968 0.3870968 -0.3870968), wk = 0.0030303 k( 161) = ( 0.4032258 0.4032258 -0.4032258), wk = 0.0030303 k( 162) = ( 0.4193548 0.4193548 -0.4193548), wk = 0.0030303 k( 163) = ( 0.4354839 0.4354839 -0.4354839), wk = 0.0030303 k( 164) = ( 0.4516129 0.4516129 -0.4516129), wk = 0.0030303 k( 165) = ( 0.4677419 0.4677419 -0.4677419), wk = 0.0030303 k( 166) = ( 0.4838710 0.4838710 -0.4838710), wk = 0.0030303 k( 167) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0030303 k( 168) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0030303 k( 169) = ( 0.4930056 0.5069944 -0.4930056), wk = 0.0030303 k( 170) = ( 0.4860113 0.5139887 -0.4860113), wk = 0.0030303 k( 171) = ( 0.4790169 0.5209831 -0.4790169), wk = 0.0030303 k( 172) = ( 0.4720225 0.5279775 -0.4720225), wk = 0.0030303 k( 173) = ( 0.4650281 0.5349719 -0.4650281), wk = 0.0030303 k( 174) = ( 0.4580338 0.5419662 -0.4580338), wk = 0.0030303 k( 175) = ( 0.4510394 0.5489606 -0.4510394), wk = 0.0030303 k( 176) = ( 0.4440450 0.5559550 -0.4440450), wk = 0.0030303 k( 177) = ( 0.4370507 0.5629493 -0.4370507), wk = 0.0030303 k( 178) = ( 0.4300563 0.5699437 -0.4300563), wk = 0.0030303 k( 179) = ( 0.4230619 0.5769381 -0.4230619), wk = 0.0030303 k( 180) = ( 0.4160676 0.5839325 -0.4160676), wk = 0.0030303 k( 181) = ( 0.4090732 0.5909268 -0.4090732), wk = 0.0030303 k( 182) = ( 0.4020788 0.5979212 -0.4020788), wk = 0.0030303 k( 183) = ( 0.3950844 0.6049156 -0.3950844), wk = 0.0030303 k( 184) = ( 0.3880901 0.6119099 -0.3880901), wk = 0.0030303 k( 185) = ( 0.3810957 0.6189043 -0.3810957), wk = 0.0030303 k( 186) = ( 0.3741013 0.6258987 -0.3741013), wk = 0.0030303 k( 187) = ( 0.3671070 0.6328930 -0.3671070), wk = 0.0030303 k( 188) = ( 0.3601126 0.6398874 -0.3601126), wk = 0.0030303 k( 189) = ( 0.3531182 0.6468818 -0.3531182), wk = 0.0030303 k( 190) = ( 0.3461239 0.6538761 -0.3461239), wk = 0.0030303 k( 191) = ( 0.3391295 0.6608705 -0.3391295), wk = 0.0030303 k( 192) = ( 0.3321351 0.6678649 -0.3321351), wk = 0.0030303 k( 193) = ( 0.3251407 0.6748593 -0.3251407), wk = 0.0030303 k( 194) = ( 0.3181464 0.6818536 -0.3181464), wk = 0.0030303 k( 195) = ( 0.3111520 0.6888480 -0.3111520), wk = 0.0030303 k( 196) = ( 0.3041576 0.6958424 -0.3041576), wk = 0.0030303 k( 197) = ( 0.2971633 0.7028367 -0.2971633), wk = 0.0030303 k( 198) = ( 0.2971633 0.7028367 -0.2971633), wk = 0.0030303 k( 199) = ( 0.2796831 0.6909052 -0.2796831), wk = 0.0030303 k( 200) = ( 0.2622029 0.6789736 -0.2622029), wk = 0.0030303 k( 201) = ( 0.2447227 0.6670420 -0.2447227), wk = 0.0030303 k( 202) = ( 0.2272425 0.6551104 -0.2272425), wk = 0.0030303 k( 203) = ( 0.2097623 0.6431789 -0.2097623), wk = 0.0030303 k( 204) = ( 0.1922821 0.6312473 -0.1922821), wk = 0.0030303 k( 205) = ( 0.1748019 0.6193157 -0.1748019), wk = 0.0030303 k( 206) = ( 0.1573217 0.6073842 -0.1573217), wk = 0.0030303 k( 207) = ( 0.1398415 0.5954526 -0.1398415), wk = 0.0030303 k( 208) = ( 0.1223613 0.5835210 -0.1223613), wk = 0.0030303 k( 209) = ( 0.1048812 0.5715894 -0.1048812), wk = 0.0030303 k( 210) = ( 0.0874010 0.5596579 -0.0874010), wk = 0.0030303 k( 211) = ( 0.0699208 0.5477263 -0.0699208), wk = 0.0030303 k( 212) = ( 0.0524406 0.5357947 -0.0524406), wk = 0.0030303 k( 213) = ( 0.0349604 0.5238632 -0.0349604), wk = 0.0030303 k( 214) = ( 0.0174802 0.5119316 -0.0174802), wk = 0.0030303 k( 215) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0030303 k( 216) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0030303 k( 217) = ( 0.0069444 0.4930556 0.0069444), wk = 0.0030303 k( 218) = ( 0.0138889 0.4861111 0.0138889), wk = 0.0030303 k( 219) = ( 0.0208333 0.4791667 0.0208333), wk = 0.0030303 k( 220) = ( 0.0277778 0.4722222 0.0277778), wk = 0.0030303 k( 221) = ( 0.0347222 0.4652778 0.0347222), wk = 0.0030303 k( 222) = ( 0.0416667 0.4583333 0.0416667), wk = 0.0030303 k( 223) = ( 0.0486111 0.4513889 0.0486111), wk = 0.0030303 k( 224) = ( 0.0555556 0.4444444 0.0555556), wk = 0.0030303 k( 225) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0030303 k( 226) = ( 0.0694444 0.4305556 0.0694444), wk = 0.0030303 k( 227) = ( 0.0763889 0.4236111 0.0763889), wk = 0.0030303 k( 228) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0030303 k( 229) = ( 0.0902778 0.4097222 0.0902778), wk = 0.0030303 k( 230) = ( 0.0972222 0.4027778 0.0972222), wk = 0.0030303 k( 231) = ( 0.1041667 0.3958333 0.1041667), wk = 0.0030303 k( 232) = ( 0.1111111 0.3888889 0.1111111), wk = 0.0030303 k( 233) = ( 0.1180556 0.3819444 0.1180556), wk = 0.0030303 k( 234) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0030303 k( 235) = ( 0.1319444 0.3680556 0.1319444), wk = 0.0030303 k( 236) = ( 0.1388889 0.3611111 0.1388889), wk = 0.0030303 k( 237) = ( 0.1458333 0.3541667 0.1458333), wk = 0.0030303 k( 238) = ( 0.1527778 0.3472222 0.1527778), wk = 0.0030303 k( 239) = ( 0.1597222 0.3402778 0.1597222), wk = 0.0030303 k( 240) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0030303 k( 241) = ( 0.1736111 0.3263889 0.1736111), wk = 0.0030303 k( 242) = ( 0.1805556 0.3194444 0.1805556), wk = 0.0030303 k( 243) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0030303 k( 244) = ( 0.1944444 0.3055556 0.1944444), wk = 0.0030303 k( 245) = ( 0.2013889 0.2986111 0.2013889), wk = 0.0030303 k( 246) = ( 0.2083333 0.2916667 0.2083333), wk = 0.0030303 k( 247) = ( 0.2152778 0.2847222 0.2152778), wk = 0.0030303 k( 248) = ( 0.2222222 0.2777778 0.2222222), wk = 0.0030303 k( 249) = ( 0.2291667 0.2708333 0.2291667), wk = 0.0030303 k( 250) = ( 0.2361111 0.2638889 0.2361111), wk = 0.0030303 k( 251) = ( 0.2430556 0.2569444 0.2430556), wk = 0.0030303 k( 252) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030303 k( 253) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030303 k( 254) = ( 0.2638889 0.2638889 0.2308708), wk = 0.0030303 k( 255) = ( 0.2777778 0.2777778 0.2117415), wk = 0.0030303 k( 256) = ( 0.2916667 0.2916667 0.1926122), wk = 0.0030303 k( 257) = ( 0.3055556 0.3055556 0.1734830), wk = 0.0030303 k( 258) = ( 0.3194444 0.3194444 0.1543537), wk = 0.0030303 k( 259) = ( 0.3333333 0.3333333 0.1352245), wk = 0.0030303 k( 260) = ( 0.3472222 0.3472222 0.1160952), wk = 0.0030303 k( 261) = ( 0.3611111 0.3611111 0.0969660), wk = 0.0030303 k( 262) = ( 0.3750000 0.3750000 0.0778367), wk = 0.0030303 k( 263) = ( 0.3888889 0.3888889 0.0587075), wk = 0.0030303 k( 264) = ( 0.4027778 0.4027778 0.0395782), wk = 0.0030303 k( 265) = ( 0.4166667 0.4166667 0.0204490), wk = 0.0030303 k( 266) = ( 0.4305556 0.4305556 0.0013197), wk = 0.0030303 k( 267) = ( 0.4444444 0.4444444 -0.0178095), wk = 0.0030303 k( 268) = ( 0.4583333 0.4583333 -0.0369388), wk = 0.0030303 k( 269) = ( 0.4722222 0.4722222 -0.0560680), wk = 0.0030303 k( 270) = ( 0.4861111 0.4861111 -0.0751973), wk = 0.0030303 k( 271) = ( 0.5000000 0.5000000 -0.0943265), wk = 0.0030303 k( 272) = ( 0.5000000 0.5000000 -0.0943265), wk = 0.0030303 k( 273) = ( 0.5000000 0.5000000 -0.1042210), wk = 0.0030303 k( 274) = ( 0.5000000 0.5000000 -0.1141155), wk = 0.0030303 k( 275) = ( 0.5000000 0.5000000 -0.1240099), wk = 0.0030303 k( 276) = ( 0.5000000 0.5000000 -0.1339044), wk = 0.0030303 k( 277) = ( 0.5000000 0.5000000 -0.1437989), wk = 0.0030303 k( 278) = ( 0.5000000 0.5000000 -0.1536934), wk = 0.0030303 k( 279) = ( 0.5000000 0.5000000 -0.1635878), wk = 0.0030303 k( 280) = ( 0.5000000 0.5000000 -0.1734823), wk = 0.0030303 k( 281) = ( 0.5000000 0.5000000 -0.1833768), wk = 0.0030303 k( 282) = ( 0.5000000 0.5000000 -0.1932713), wk = 0.0030303 k( 283) = ( 0.5000000 0.5000000 -0.2031657), wk = 0.0030303 k( 284) = ( 0.5000000 0.5000000 -0.2130602), wk = 0.0030303 k( 285) = ( 0.5000000 0.5000000 -0.2229547), wk = 0.0030303 k( 286) = ( 0.5000000 0.5000000 -0.2328492), wk = 0.0030303 k( 287) = ( 0.5000000 0.5000000 -0.2427436), wk = 0.0030303 k( 288) = ( 0.5000000 0.5000000 -0.2526381), wk = 0.0030303 k( 289) = ( 0.5000000 0.5000000 -0.2625326), wk = 0.0030303 k( 290) = ( 0.5000000 0.5000000 -0.2724271), wk = 0.0030303 k( 291) = ( 0.5000000 0.5000000 -0.2823215), wk = 0.0030303 k( 292) = ( 0.5000000 0.5000000 -0.2922160), wk = 0.0030303 k( 293) = ( 0.5000000 0.5000000 -0.3021105), wk = 0.0030303 k( 294) = ( 0.5000000 0.5000000 -0.3120050), wk = 0.0030303 k( 295) = ( 0.5000000 0.5000000 -0.3218994), wk = 0.0030303 k( 296) = ( 0.5000000 0.5000000 -0.3317939), wk = 0.0030303 k( 297) = ( 0.5000000 0.5000000 -0.3416884), wk = 0.0030303 k( 298) = ( 0.5000000 0.5000000 -0.3515829), wk = 0.0030303 k( 299) = ( 0.5000000 0.5000000 -0.3614774), wk = 0.0030303 k( 300) = ( 0.5000000 0.5000000 -0.3713718), wk = 0.0030303 k( 301) = ( 0.5000000 0.5000000 -0.3812663), wk = 0.0030303 k( 302) = ( 0.5000000 0.5000000 -0.3911608), wk = 0.0030303 k( 303) = ( 0.5000000 0.5000000 -0.4010553), wk = 0.0030303 k( 304) = ( 0.5000000 0.5000000 -0.4109497), wk = 0.0030303 k( 305) = ( 0.5000000 0.5000000 -0.4208442), wk = 0.0030303 k( 306) = ( 0.5000000 0.5000000 -0.4307387), wk = 0.0030303 k( 307) = ( 0.5000000 0.5000000 -0.4406332), wk = 0.0030303 k( 308) = ( 0.5000000 0.5000000 -0.4505276), wk = 0.0030303 k( 309) = ( 0.5000000 0.5000000 -0.4604221), wk = 0.0030303 k( 310) = ( 0.5000000 0.5000000 -0.4703166), wk = 0.0030303 k( 311) = ( 0.5000000 0.5000000 -0.4802111), wk = 0.0030303 k( 312) = ( 0.5000000 0.5000000 -0.4901055), wk = 0.0030303 k( 313) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0030303 k( 314) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030303 k( 315) = ( 0.0156250 0.0156250 0.4843750), wk = 0.0030303 k( 316) = ( 0.0312500 0.0312500 0.4687500), wk = 0.0030303 k( 317) = ( 0.0468750 0.0468750 0.4531250), wk = 0.0030303 k( 318) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0030303 k( 319) = ( 0.0781250 0.0781250 0.4218750), wk = 0.0030303 k( 320) = ( 0.0937500 0.0937500 0.4062500), wk = 0.0030303 k( 321) = ( 0.1093750 0.1093750 0.3906250), wk = 0.0030303 k( 322) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0030303 k( 323) = ( 0.1406250 0.1406250 0.3593750), wk = 0.0030303 k( 324) = ( 0.1562500 0.1562500 0.3437500), wk = 0.0030303 k( 325) = ( 0.1718750 0.1718750 0.3281250), wk = 0.0030303 k( 326) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0030303 k( 327) = ( 0.2031250 0.2031250 0.2968750), wk = 0.0030303 k( 328) = ( 0.2187500 0.2187500 0.2812500), wk = 0.0030303 k( 329) = ( 0.2343750 0.2343750 0.2656250), wk = 0.0030303 k( 330) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030303 Dense grid: 110625 G-vectors FFT dimensions: ( 80, 80, 80) Smooth grid: 23535 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.08 Mb ( 132, 40) NL pseudopotentials 0.11 Mb ( 66, 110) Each V/rho on FFT grid 0.20 Mb ( 12800) Each G-vector array 0.02 Mb ( 2305) G-vector shells 0.01 Mb ( 1087) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.32 Mb ( 132, 160) Each subspace H/S matrix 0.39 Mb ( 160, 160) Each matrix 0.13 Mb ( 110, 2, 40) The potential is recalculated from file : ./SrGe3Pd.save/charge-density.dat Starting wfc are 58 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 44.6 secs Computing kpt #: 2 total cpu time spent up to now is 46.7 secs Computing kpt #: 3 total cpu time spent up to now is 48.5 secs Computing kpt #: 4 total cpu time spent up to now is 50.0 secs Computing kpt #: 5 total cpu time spent up to now is 51.4 secs Computing kpt #: 6 total cpu time spent up to now is 52.6 secs Computing kpt #: 7 total cpu time spent up to now is 53.7 secs Computing kpt #: 8 total cpu time spent up to now is 54.9 secs Computing kpt #: 9 total cpu time spent up to now is 56.1 secs Computing kpt #: 10 total cpu time spent up to now is 57.1 secs Computing kpt #: 11 total cpu time spent up to now is 58.1 secs Computing kpt #: 12 total cpu time spent up to now is 59.0 secs Computing kpt #: 13 total cpu time spent up to now is 60.0 secs Computing kpt #: 14 total cpu time spent up to now is 61.0 secs Computing kpt #: 15 total cpu time spent up to now is 62.0 secs Computing kpt #: 16 total cpu time spent up to now is 63.1 secs Computing kpt #: 17 total cpu time spent up to now is 64.1 secs Computing kpt #: 18 total cpu time spent up to now is 65.1 secs Computing kpt #: 19 total cpu time spent up to now is 66.2 secs Computing kpt #: 20 total cpu time spent up to now is 67.3 secs Computing kpt #: 21 total cpu time spent up to now is 68.4 secs Computing kpt #: 22 total cpu time spent up to now is 69.5 secs Computing kpt #: 23 total cpu time spent up to now is 70.6 secs Computing kpt #: 24 total cpu time spent up to now is 71.7 secs Computing kpt #: 25 total cpu time spent up to now is 72.9 secs Computing kpt #: 26 total cpu time spent up to now is 74.2 secs Computing kpt #: 27 total cpu time spent up to now is 75.4 secs Computing kpt #: 28 total cpu time spent up to now is 76.9 secs Computing kpt #: 29 total cpu time spent up to now is 78.3 secs Computing kpt #: 30 total cpu time spent up to now is 79.9 secs Computing kpt #: 31 total cpu time spent up to now is 81.1 secs Computing kpt #: 32 total cpu time spent up to now is 82.5 secs Computing kpt #: 33 total cpu time spent up to now is 83.7 secs Computing kpt #: 34 total cpu time spent up to now is 85.2 secs Computing kpt #: 35 total cpu time spent up to now is 86.6 secs Computing kpt #: 36 total cpu time spent up to now is 88.0 secs Computing kpt #: 37 total cpu time spent up to now is 89.7 secs Computing kpt #: 38 total cpu time spent up to now is 91.8 secs Computing kpt #: 39 total cpu time spent up to now is 93.5 secs Computing kpt #: 40 total cpu time spent up to now is 94.9 secs Computing kpt #: 41 total cpu time spent up to now is 96.0 secs Computing kpt #: 42 total cpu time spent up to now is 97.1 secs Computing kpt #: 43 total cpu time spent up to now is 98.2 secs Computing kpt #: 44 total cpu time spent up to now is 99.3 secs Computing kpt #: 45 total cpu time spent up to now is 100.4 secs Computing kpt #: 46 total cpu time spent up to now is 101.6 secs Computing kpt #: 47 total cpu time spent up to now is 102.8 secs Computing kpt #: 48 total cpu time spent up to now is 104.1 secs Computing kpt #: 49 total cpu time spent up to now is 105.4 secs Computing kpt #: 50 total cpu time spent up to now is 106.8 secs Computing kpt #: 51 total cpu time spent up to now is 108.1 secs Computing kpt #: 52 total cpu time spent up to now is 109.4 secs Computing kpt #: 53 total cpu time spent up to now is 110.7 secs Computing kpt #: 54 total cpu time spent up to now is 112.0 secs Computing kpt #: 55 total cpu time spent up to now is 113.3 secs Computing kpt #: 56 total cpu time spent up to now is 114.6 secs Computing kpt #: 57 total cpu time spent up to now is 116.1 secs Computing kpt #: 58 total cpu time spent up to now is 117.5 secs Computing kpt #: 59 total cpu time spent up to now is 118.7 secs Computing kpt #: 60 total cpu time spent up to now is 119.9 secs Computing kpt #: 61 total cpu time spent up to now is 121.0 secs Computing kpt #: 62 total cpu time spent up to now is 122.2 secs Computing kpt #: 63 total cpu time spent up to now is 123.3 secs Computing kpt #: 64 total cpu time spent up to now is 124.4 secs Computing kpt #: 65 total cpu time spent up to now is 125.5 secs Computing kpt #: 66 total cpu time spent up to now is 126.6 secs Computing kpt #: 67 total cpu time spent up to now is 127.7 secs Computing kpt #: 68 total cpu time spent up to now is 128.8 secs Computing kpt #: 69 total cpu time spent up to now is 129.8 secs Computing kpt #: 70 total cpu time spent up to now is 130.9 secs Computing kpt #: 71 total cpu time spent up to now is 131.9 secs Computing kpt #: 72 total cpu time spent up to now is 133.0 secs Computing kpt #: 73 total cpu time spent up to now is 134.1 secs Computing kpt #: 74 total cpu time spent up to now is 135.2 secs Computing kpt #: 75 total cpu time spent up to now is 136.3 secs Computing kpt #: 76 total cpu time spent up to now is 137.5 secs Computing kpt #: 77 total cpu time spent up to now is 138.7 secs Computing kpt #: 78 total cpu time spent up to now is 140.0 secs Computing kpt #: 79 total cpu time spent up to now is 141.2 secs Computing kpt #: 80 total cpu time spent up to now is 142.5 secs Computing kpt #: 81 total cpu time spent up to now is 143.8 secs Computing kpt #: 82 total cpu time spent up to now is 145.4 secs Computing kpt #: 83 total cpu time spent up to now is 146.7 secs Computing kpt #: 84 total cpu time spent up to now is 148.0 secs Computing kpt #: 85 total cpu time spent up to now is 149.4 secs Computing kpt #: 86 total cpu time spent up to now is 150.7 secs Computing kpt #: 87 total cpu time spent up to now is 152.1 secs Computing kpt #: 88 total cpu time spent up to now is 153.4 secs Computing kpt #: 89 total cpu time spent up to now is 154.6 secs Computing kpt #: 90 total cpu time spent up to now is 155.9 secs Computing kpt #: 91 total cpu time spent up to now is 157.1 secs Computing kpt #: 92 total cpu time spent up to now is 158.3 secs Computing kpt #: 93 total cpu time spent up to now is 159.4 secs Computing kpt #: 94 total cpu time spent up to now is 160.6 secs Computing kpt #: 95 total cpu time spent up to now is 161.8 secs Computing kpt #: 96 total cpu time spent up to now is 163.1 secs Computing kpt #: 97 total cpu time spent up to now is 164.2 secs Computing kpt #: 98 total cpu time spent up to now is 165.4 secs Computing kpt #: 99 total cpu time spent up to now is 166.6 secs Computing kpt #: 100 total cpu time spent up to now is 167.8 secs Computing kpt #: 101 total cpu time spent up to now is 169.2 secs Computing kpt #: 102 total cpu time spent up to now is 170.4 secs Computing kpt #: 103 total cpu time spent up to now is 171.7 secs Computing kpt #: 104 total cpu time spent up to now is 172.9 secs Computing kpt #: 105 total cpu time spent up to now is 174.1 secs Computing kpt #: 106 total cpu time spent up to now is 175.4 secs Computing kpt #: 107 total cpu time spent up to now is 176.6 secs Computing kpt #: 108 total cpu time spent up to now is 177.7 secs Computing kpt #: 109 total cpu time spent up to now is 178.8 secs Computing kpt #: 110 total cpu time spent up to now is 180.1 secs Computing kpt #: 111 total cpu time spent up to now is 181.4 secs Computing kpt #: 112 total cpu time spent up to now is 182.7 secs Computing kpt #: 113 total cpu time spent up to now is 183.7 secs Computing kpt #: 114 total cpu time spent up to now is 184.7 secs Computing kpt #: 115 total cpu time spent up to now is 185.6 secs Computing kpt #: 116 total cpu time spent up to now is 186.7 secs Computing kpt #: 117 total cpu time spent up to now is 187.6 secs Computing kpt #: 118 total cpu time spent up to now is 188.5 secs Computing kpt #: 119 total cpu time spent up to now is 189.4 secs Computing kpt #: 120 total cpu time spent up to now is 190.3 secs Computing kpt #: 121 total cpu time spent up to now is 191.2 secs Computing kpt #: 122 total cpu time spent up to now is 192.1 secs Computing kpt #: 123 total cpu time spent up to now is 193.0 secs Computing kpt #: 124 total cpu time spent up to now is 193.9 secs Computing kpt #: 125 total cpu time spent up to now is 194.9 secs Computing kpt #: 126 total cpu time spent up to now is 195.9 secs Computing kpt #: 127 total cpu time spent up to now is 196.9 secs Computing kpt #: 128 total cpu time spent up to now is 198.0 secs Computing kpt #: 129 total cpu time spent up to now is 199.2 secs Computing kpt #: 130 total cpu time spent up to now is 200.4 secs Computing kpt #: 131 total cpu time spent up to now is 201.9 secs Computing kpt #: 132 total cpu time spent up to now is 203.4 secs Computing kpt #: 133 total cpu time spent up to now is 205.4 secs Computing kpt #: 134 total cpu time spent up to now is 207.3 secs Computing kpt #: 135 total cpu time spent up to now is 209.1 secs Computing kpt #: 136 total cpu time spent up to now is 211.3 secs Computing kpt #: 137 total cpu time spent up to now is 212.7 secs Computing kpt #: 138 total cpu time spent up to now is 214.2 secs Computing kpt #: 139 total cpu time spent up to now is 215.6 secs Computing kpt #: 140 total cpu time spent up to now is 216.8 secs Computing kpt #: 141 total cpu time spent up to now is 217.9 secs Computing kpt #: 142 total cpu time spent up to now is 219.0 secs Computing kpt #: 143 total cpu time spent up to now is 220.1 secs Computing kpt #: 144 total cpu time spent up to now is 221.3 secs Computing kpt #: 145 total cpu time spent up to now is 222.7 secs Computing kpt #: 146 total cpu time spent up to now is 224.0 secs Computing kpt #: 147 total cpu time spent up to now is 225.3 secs Computing kpt #: 148 total cpu time spent up to now is 226.5 secs Computing kpt #: 149 total cpu time spent up to now is 227.7 secs Computing kpt #: 150 total cpu time spent up to now is 229.0 secs Computing kpt #: 151 total cpu time spent up to now is 230.2 secs Computing kpt #: 152 total cpu time spent up to now is 231.5 secs Computing kpt #: 153 total cpu time spent up to now is 232.7 secs Computing kpt #: 154 total cpu time spent up to now is 233.9 secs Computing kpt #: 155 total cpu time spent up to now is 235.2 secs Computing kpt #: 156 total cpu time spent up to now is 236.4 secs Computing kpt #: 157 total cpu time spent up to now is 237.7 secs Computing kpt #: 158 total cpu time spent up to now is 239.1 secs Computing kpt #: 159 total cpu time spent up to now is 240.5 secs Computing kpt #: 160 total cpu time spent up to now is 241.9 secs Computing kpt #: 161 total cpu time spent up to now is 243.3 secs Computing kpt #: 162 total cpu time spent up to now is 244.8 secs Computing kpt #: 163 total cpu time spent up to now is 246.3 secs Computing kpt #: 164 total cpu time spent up to now is 247.8 secs Computing kpt #: 165 total cpu time spent up to now is 249.3 secs Computing kpt #: 166 total cpu time spent up to now is 251.5 secs Computing kpt #: 167 total cpu time spent up to now is 254.1 secs Computing kpt #: 168 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 256.7 secs Computing kpt #: 169 total cpu time spent up to now is 258.2 secs Computing kpt #: 170 total cpu time spent up to now is 259.8 secs Computing kpt #: 171 total cpu time spent up to now is 261.2 secs Computing kpt #: 172 total cpu time spent up to now is 262.7 secs Computing kpt #: 173 total cpu time spent up to now is 264.3 secs Computing kpt #: 174 total cpu time spent up to now is 265.7 secs Computing kpt #: 175 total cpu time spent up to now is 267.1 secs Computing kpt #: 176 total cpu time spent up to now is 268.5 secs Computing kpt #: 177 total cpu time spent up to now is 270.0 secs Computing kpt #: 178 total cpu time spent up to now is 271.4 secs Computing kpt #: 179 total cpu time spent up to now is 272.8 secs Computing kpt #: 180 total cpu time spent up to now is 274.0 secs Computing kpt #: 181 total cpu time spent up to now is 275.4 secs Computing kpt #: 182 total cpu time spent up to now is 276.6 secs Computing kpt #: 183 total cpu time spent up to now is 277.9 secs Computing kpt #: 184 total cpu time spent up to now is 279.1 secs Computing kpt #: 185 total cpu time spent up to now is 280.4 secs Computing kpt #: 186 total cpu time spent up to now is 281.7 secs Computing kpt #: 187 total cpu time spent up to now is 283.0 secs Computing kpt #: 188 total cpu time spent up to now is 284.4 secs Computing kpt #: 189 total cpu time spent up to now is 285.7 secs Computing kpt #: 190 total cpu time spent up to now is 286.9 secs Computing kpt #: 191 total cpu time spent up to now is 288.2 secs Computing kpt #: 192 total cpu time spent up to now is 289.4 secs Computing kpt #: 193 total cpu time spent up to now is 290.7 secs Computing kpt #: 194 total cpu time spent up to now is 291.9 secs Computing kpt #: 195 total cpu time spent up to now is 293.1 secs Computing kpt #: 196 total cpu time spent up to now is 294.3 secs Computing kpt #: 197 total cpu time spent up to now is 295.5 secs Computing kpt #: 198 total cpu time spent up to now is 296.7 secs Computing kpt #: 199 total cpu time spent up to now is 297.9 secs Computing kpt #: 200 total cpu time spent up to now is 299.1 secs Computing kpt #: 201 total cpu time spent up to now is 300.2 secs Computing kpt #: 202 total cpu time spent up to now is 301.4 secs Computing kpt #: 203 total cpu time spent up to now is 302.5 secs Computing kpt #: 204 total cpu time spent up to now is 303.5 secs Computing kpt #: 205 total cpu time spent up to now is 304.6 secs Computing kpt #: 206 total cpu time spent up to now is 305.5 secs Computing kpt #: 207 total cpu time spent up to now is 306.5 secs Computing kpt #: 208 total cpu time spent up to now is 307.4 secs Computing kpt #: 209 total cpu time spent up to now is 308.3 secs Computing kpt #: 210 total cpu time spent up to now is 309.2 secs Computing kpt #: 211 total cpu time spent up to now is 310.1 secs Computing kpt #: 212 total cpu time spent up to now is 311.1 secs Computing kpt #: 213 total cpu time spent up to now is 312.0 secs Computing kpt #: 214 total cpu time spent up to now is 312.9 secs Computing kpt #: 215 total cpu time spent up to now is 313.9 secs Computing kpt #: 216 total cpu time spent up to now is 314.8 secs Computing kpt #: 217 total cpu time spent up to now is 315.7 secs Computing kpt #: 218 total cpu time spent up to now is 316.7 secs Computing kpt #: 219 total cpu time spent up to now is 317.7 secs Computing kpt #: 220 total cpu time spent up to now is 318.8 secs Computing kpt #: 221 total cpu time spent up to now is 319.9 secs Computing kpt #: 222 total cpu time spent up to now is 321.0 secs Computing kpt #: 223 total cpu time spent up to now is 322.1 secs Computing kpt #: 224 total cpu time spent up to now is 323.1 secs Computing kpt #: 225 total cpu time spent up to now is 324.2 secs Computing kpt #: 226 total cpu time spent up to now is 325.6 secs Computing kpt #: 227 total cpu time spent up to now is 327.0 secs Computing kpt #: 228 total cpu time spent up to now is 328.3 secs Computing kpt #: 229 total cpu time spent up to now is 329.6 secs Computing kpt #: 230 total cpu time spent up to now is 330.8 secs Computing kpt #: 231 total cpu time spent up to now is 331.9 secs Computing kpt #: 232 total cpu time spent up to now is 332.9 secs Computing kpt #: 233 total cpu time spent up to now is 334.1 secs Computing kpt #: 234 total cpu time spent up to now is 335.2 secs Computing kpt #: 235 total cpu time spent up to now is 336.3 secs Computing kpt #: 236 total cpu time spent up to now is 337.4 secs Computing kpt #: 237 total cpu time spent up to now is 338.5 secs Computing kpt #: 238 total cpu time spent up to now is 339.6 secs Computing kpt #: 239 total cpu time spent up to now is 340.7 secs Computing kpt #: 240 total cpu time spent up to now is 341.7 secs Computing kpt #: 241 total cpu time spent up to now is 342.8 secs Computing kpt #: 242 total cpu time spent up to now is 343.9 secs Computing kpt #: 243 total cpu time spent up to now is 345.0 secs Computing kpt #: 244 total cpu time spent up to now is 346.1 secs Computing kpt #: 245 total cpu time spent up to now is 347.2 secs Computing kpt #: 246 total cpu time spent up to now is 348.3 secs Computing kpt #: 247 total cpu time spent up to now is 349.5 secs Computing kpt #: 248 total cpu time spent up to now is 350.6 secs Computing kpt #: 249 total cpu time spent up to now is 351.8 secs Computing kpt #: 250 total cpu time spent up to now is 352.9 secs Computing kpt #: 251 total cpu time spent up to now is 354.1 secs Computing kpt #: 252 total cpu time spent up to now is 355.4 secs Computing kpt #: 253 total cpu time spent up to now is 356.7 secs Computing kpt #: 254 total cpu time spent up to now is 357.9 secs Computing kpt #: 255 total cpu time spent up to now is 359.2 secs Computing kpt #: 256 total cpu time spent up to now is 360.3 secs Computing kpt #: 257 total cpu time spent up to now is 361.5 secs Computing kpt #: 258 total cpu time spent up to now is 362.8 secs Computing kpt #: 259 total cpu time spent up to now is 363.9 secs Computing kpt #: 260 total cpu time spent up to now is 365.1 secs Computing kpt #: 261 total cpu time spent up to now is 366.2 secs Computing kpt #: 262 total cpu time spent up to now is 367.4 secs Computing kpt #: 263 total cpu time spent up to now is 368.5 secs Computing kpt #: 264 total cpu time spent up to now is 369.8 secs Computing kpt #: 265 total cpu time spent up to now is 371.0 secs Computing kpt #: 266 total cpu time spent up to now is 372.2 secs Computing kpt #: 267 total cpu time spent up to now is 373.4 secs Computing kpt #: 268 total cpu time spent up to now is 374.6 secs Computing kpt #: 269 total cpu time spent up to now is 375.8 secs Computing kpt #: 270 total cpu time spent up to now is 376.9 secs Computing kpt #: 271 total cpu time spent up to now is 378.0 secs Computing kpt #: 272 total cpu time spent up to now is 379.3 secs Computing kpt #: 273 total cpu time spent up to now is 380.4 secs Computing kpt #: 274 total cpu time spent up to now is 381.5 secs Computing kpt #: 275 total cpu time spent up to now is 382.6 secs Computing kpt #: 276 total cpu time spent up to now is 383.7 secs Computing kpt #: 277 total cpu time spent up to now is 384.8 secs Computing kpt #: 278 total cpu time spent up to now is 385.9 secs Computing kpt #: 279 total cpu time spent up to now is 386.9 secs Computing kpt #: 280 total cpu time spent up to now is 388.0 secs Computing kpt #: 281 total cpu time spent up to now is 389.0 secs Computing kpt #: 282 total cpu time spent up to now is 390.0 secs Computing kpt #: 283 total cpu time spent up to now is 391.1 secs Computing kpt #: 284 total cpu time spent up to now is 392.1 secs Computing kpt #: 285 total cpu time spent up to now is 393.2 secs Computing kpt #: 286 total cpu time spent up to now is 394.3 secs Computing kpt #: 287 total cpu time spent up to now is 395.3 secs Computing kpt #: 288 total cpu time spent up to now is 396.3 secs Computing kpt #: 289 total cpu time spent up to now is 397.5 secs Computing kpt #: 290 total cpu time spent up to now is 398.7 secs Computing kpt #: 291 total cpu time spent up to now is 399.7 secs Computing kpt #: 292 total cpu time spent up to now is 400.7 secs Computing kpt #: 293 total cpu time spent up to now is 401.8 secs Computing kpt #: 294 total cpu time spent up to now is 402.9 secs Computing kpt #: 295 total cpu time spent up to now is 404.0 secs Computing kpt #: 296 total cpu time spent up to now is 405.0 secs Computing kpt #: 297 total cpu time spent up to now is 406.1 secs Computing kpt #: 298 total cpu time spent up to now is 407.3 secs Computing kpt #: 299 total cpu time spent up to now is 408.4 secs Computing kpt #: 300 total cpu time spent up to now is 409.6 secs Computing kpt #: 301 total cpu time spent up to now is 410.8 secs Computing kpt #: 302 total cpu time spent up to now is 411.9 secs Computing kpt #: 303 total cpu time spent up to now is 413.1 secs Computing kpt #: 304 total cpu time spent up to now is 414.2 secs Computing kpt #: 305 total cpu time spent up to now is 415.3 secs Computing kpt #: 306 total cpu time spent up to now is 416.5 secs Computing kpt #: 307 total cpu time spent up to now is 417.8 secs Computing kpt #: 308 total cpu time spent up to now is 419.2 secs Computing kpt #: 309 total cpu time spent up to now is 420.5 secs Computing kpt #: 310 total cpu time spent up to now is 422.0 secs Computing kpt #: 311 total cpu time spent up to now is 423.5 secs Computing kpt #: 312 total cpu time spent up to now is 425.0 secs Computing kpt #: 313 total cpu time spent up to now is 427.0 secs Computing kpt #: 314 total cpu time spent up to now is 428.2 secs Computing kpt #: 315 total cpu time spent up to now is 429.4 secs Computing kpt #: 316 total cpu time spent up to now is 430.6 secs Computing kpt #: 317 total cpu time spent up to now is 431.8 secs Computing kpt #: 318 total cpu time spent up to now is 433.0 secs Computing kpt #: 319 total cpu time spent up to now is 434.1 secs Computing kpt #: 320 total cpu time spent up to now is 435.3 secs Computing kpt #: 321 total cpu time spent up to now is 436.5 secs Computing kpt #: 322 total cpu time spent up to now is 437.7 secs Computing kpt #: 323 total cpu time spent up to now is 438.9 secs Computing kpt #: 324 total cpu time spent up to now is 440.3 secs Computing kpt #: 325 total cpu time spent up to now is 441.6 secs Computing kpt #: 326 total cpu time spent up to now is 442.7 secs Computing kpt #: 327 total cpu time spent up to now is 443.8 secs Computing kpt #: 328 total cpu time spent up to now is 445.3 secs Computing kpt #: 329 total cpu time spent up to now is 446.6 secs Computing kpt #: 330 total cpu time spent up to now is 447.8 secs ethr = 3.13E-11, avg # of iterations = 33.3 total cpu time spent up to now is 447.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2987 PWs) bands (ev): -25.9094 -25.9094 -8.7503 -8.7503 -7.6497 -7.6497 -7.5768 -7.5768 -2.4692 -2.4692 2.3673 2.3673 2.3942 2.3942 4.5375 4.5375 4.6018 4.6018 5.9112 5.9112 5.9195 5.9195 6.2860 6.2860 6.3456 6.3456 7.3838 7.3838 7.4787 7.4787 9.8803 9.8803 10.0847 10.0847 10.2217 10.2217 10.2690 10.2690 13.5622 13.5622 k = 0.0000 0.0000 0.0191 ( 2986 PWs) bands (ev): -25.9094 -25.9094 -8.7506 -8.7502 -7.6500 -7.6494 -7.5770 -7.5769 -2.4677 -2.4676 2.3629 2.3650 2.3937 2.3944 4.5364 4.5380 4.5984 4.6052 5.9103 5.9132 5.9194 5.9208 6.2711 6.2969 6.3437 6.3512 7.3754 7.3980 7.4811 7.4821 9.8539 9.8608 10.0400 10.0535 10.2243 10.2432 10.3039 10.3219 13.5380 13.5393 k = 0.0000 0.0000 0.0382 ( 2982 PWs) bands (ev): -25.9093 -25.9093 -8.7509 -8.7501 -7.6504 -7.6492 -7.5773 -7.5773 -2.4633 -2.4630 2.3519 2.3562 2.3929 2.3941 4.5347 4.5371 4.5950 4.6092 5.9109 5.9132 5.9199 5.9264 6.2533 6.3036 6.3449 6.3607 7.3729 7.4177 7.4893 7.4912 9.7941 9.8007 9.9679 9.9797 10.2465 10.2794 10.3904 10.4140 13.4940 13.4968 k = 0.0000 0.0000 0.0573 ( 2984 PWs) bands (ev): -25.9093 -25.9093 -8.7513 -8.7502 -7.6509 -7.6490 -7.5779 -7.5779 -2.4559 -2.4554 2.3346 2.3409 2.3917 2.3934 4.5324 4.5342 4.5916 4.6146 5.9107 5.9111 5.9232 5.9362 6.2336 6.3066 6.3484 6.3732 7.3764 7.4420 7.5034 7.5063 9.7150 9.7175 9.8865 9.8958 10.2808 10.3201 10.4934 10.5182 13.4230 13.4264 k = 0.0000 0.0000 0.0764 ( 2984 PWs) bands (ev): -25.9093 -25.9093 -8.7518 -8.7503 -7.6513 -7.6489 -7.5788 -7.5787 -2.4455 -2.4449 2.3113 2.3195 2.3901 2.3923 4.5286 4.5287 4.5894 4.6218 5.9077 5.9078 5.9305 5.9491 6.2127 6.3069 6.3539 6.3877 7.3856 7.4696 7.5239 7.5284 9.6238 9.6255 9.7971 9.8063 10.3214 10.3625 10.6034 10.6283 13.3268 13.3297 k = 0.0000 0.0000 0.0955 ( 2984 PWs) bands (ev): -25.9092 -25.9092 -8.7524 -8.7505 -7.6519 -7.6488 -7.5799 -7.5798 -2.4321 -2.4314 2.2824 2.2922 2.3880 2.3907 4.5207 4.5224 4.5892 4.6310 5.9027 5.9027 5.9411 5.9645 6.1916 6.3052 6.3610 6.4033 7.3999 7.4978 7.5513 7.5597 9.5256 9.5309 9.7003 9.7114 10.3657 10.4064 10.7175 10.7423 13.2123 13.2139 k = 0.0000 0.0000 0.1146 ( 2976 PWs) bands (ev): -25.9091 -25.9091 -8.7531 -8.7509 -7.6525 -7.6488 -7.5812 -7.5811 -2.4158 -2.4149 2.2483 2.2596 2.3855 2.3885 4.5104 4.5134 4.5918 4.6419 5.8956 5.8961 5.9541 5.9818 6.1710 6.3019 6.3693 6.4195 7.4182 7.5246 7.5863 7.6017 9.4255 9.4337 9.5972 9.6112 10.4133 10.4524 10.8346 10.8590 13.0856 13.0856 k = 0.0000 0.0000 0.1337 ( 2972 PWs) bands (ev): -25.9091 -25.9091 -8.7539 -8.7513 -7.6531 -7.6489 -7.5827 -7.5826 -2.3965 -2.3955 2.2096 2.2221 2.3823 2.3856 4.4984 4.5018 4.5971 4.6544 5.8864 5.8873 5.9691 6.0001 6.1520 6.2975 6.3786 6.4357 7.4393 7.5495 7.6297 7.6542 9.3247 9.3355 9.4892 9.5065 10.4642 10.5011 10.9539 10.9781 12.9494 12.9511 k = 0.0000 0.0000 0.1528 ( 2972 PWs) bands (ev): -25.9090 -25.9090 -8.7547 -8.7518 -7.6537 -7.6490 -7.5844 -7.5843 -2.3743 -2.3732 2.1668 2.1803 2.3785 2.3819 4.4849 4.4881 4.6047 4.6681 5.8751 5.8760 5.9853 6.0182 6.1362 6.2925 6.3883 6.4517 7.4615 7.5728 7.6825 7.7163 9.2235 9.2369 9.3782 9.3985 10.5187 10.5533 11.0752 11.0992 12.8085 12.8120 k = 0.0000 0.0000 0.1720 ( 2962 PWs) bands (ev): -25.9089 -25.9089 -8.7557 -8.7524 -7.6544 -7.6491 -7.5864 -7.5861 -2.3493 -2.3481 2.1204 2.1347 2.3739 2.3774 4.4705 4.4729 4.6144 4.6829 5.8618 5.8618 6.0022 6.0337 6.1261 6.2873 6.3983 6.4671 7.4838 7.5946 7.7451 7.7873 9.1221 9.1384 9.2658 9.2885 10.5772 10.6093 11.1982 11.2221 12.6652 12.6705 k = 0.0000 0.0000 0.1911 ( 2954 PWs) bands (ev): -25.9087 -25.9087 -8.7566 -8.7531 -7.6551 -7.6493 -7.5885 -7.5882 -2.3214 -2.3202 2.0709 2.0858 2.3684 2.3719 4.4556 4.4568 4.6256 4.6985 5.8447 5.8465 6.0192 6.0426 6.1253 6.2826 6.4082 6.4816 7.5050 7.6145 7.8175 7.8667 9.0202 9.0400 9.1540 9.1781 10.6397 10.6697 11.3228 11.3466 12.5213 12.5284 k = 0.0000 0.0000 0.2102 ( 2954 PWs) bands (ev): -25.9086 -25.9086 -8.7577 -8.7538 -7.6559 -7.6496 -7.5908 -7.5904 -2.2907 -2.2894 2.0189 2.0342 2.3620 2.3652 4.4403 4.4407 4.6382 4.7147 5.8246 5.8292 6.0354 6.0431 6.1354 6.2787 6.4178 6.4950 7.5245 7.6321 7.8993 7.9539 8.9177 8.9417 9.0447 9.0690 10.7063 10.7344 11.4488 11.4725 12.3783 12.3870 k = 0.0000 0.0000 0.2293 ( 2958 PWs) bands (ev): -25.9085 -25.9085 -8.7588 -8.7547 -7.6567 -7.6499 -7.5932 -7.5927 -2.2572 -2.2559 1.9647 1.9804 2.3544 2.3573 4.4237 4.4259 4.6519 4.7315 5.8019 5.8099 6.0381 6.0501 6.1528 6.2762 6.4269 6.5073 7.5415 7.6468 7.9895 8.0483 8.8146 8.8437 8.9399 8.9630 10.7769 10.8037 11.5761 11.5997 12.2376 12.2478 k = 0.0000 0.0000 0.2484 ( 2964 PWs) bands (ev): -25.9083 -25.9083 -8.7599 -8.7556 -7.6575 -7.6502 -7.5958 -7.5952 -2.2210 -2.2197 1.9089 1.9248 2.3455 2.3480 4.4074 4.4117 4.6666 4.7488 5.7769 5.7890 6.0310 6.0626 6.1732 6.2754 6.4353 6.5183 7.5556 7.6581 8.0865 8.1484 8.7114 8.7462 8.8412 8.8623 10.8511 10.8772 11.7046 11.7278 12.1008 12.1118 k = 0.0000 0.0000 0.2675 ( 2968 PWs) bands (ev): -25.9082 -25.9082 -8.7611 -8.7566 -7.6583 -7.6506 -7.5985 -7.5978 -2.1822 -2.1809 1.8519 1.8678 2.3353 2.3372 4.3918 4.3982 4.6823 4.7667 5.7503 5.7665 6.0232 6.0724 6.1945 6.2763 6.4429 6.5282 7.5665 7.6654 8.1868 8.2510 8.6100 8.6501 8.7512 8.7703 10.9283 10.9547 11.8342 11.8548 11.9715 11.9803 k = 0.0000 0.0000 0.2866 ( 2968 PWs) bands (ev): -25.9080 -25.9080 -8.7624 -8.7576 -7.6591 -7.6510 -7.6013 -7.6005 -2.1407 -2.1394 1.7940 1.8098 2.3236 2.3248 4.3769 4.3857 4.6988 4.7850 5.7222 5.7425 6.0155 6.0791 6.2150 6.2788 6.4497 6.5369 7.5736 7.6681 8.2805 8.3463 8.5136 8.5573 8.6769 8.6958 11.0073 11.0351 11.8387 11.8545 11.9650 11.9931 k = 0.0000 0.0000 0.3057 ( 2964 PWs) bands (ev): -25.9078 -25.9078 -8.7636 -8.7587 -7.6599 -7.6515 -7.6042 -7.6032 -2.0966 -2.0954 1.7355 1.7512 2.3102 2.3106 4.3632 4.3744 4.7160 4.8038 5.6932 5.7174 6.0077 6.0828 6.2339 6.2822 6.4557 6.5445 7.5767 7.6658 8.3329 8.3985 8.4327 8.4731 8.6433 8.6703 11.0853 11.1168 11.7252 11.7369 12.0966 12.1231 k = 0.0000 0.0000 0.3248 ( 2960 PWs) bands (ev): -25.9077 -25.9077 -8.7649 -8.7598 -7.6607 -7.6520 -7.6071 -7.6061 -2.0500 -2.0489 1.6769 1.6924 2.2946 2.2951 4.3506 4.3644 4.7341 4.8232 5.6634 5.6910 6.0000 6.0836 6.2504 6.2856 6.4608 6.5512 7.5752 7.6579 8.2927 8.3604 8.3786 8.4061 8.6911 8.7333 11.1562 11.1957 11.6268 11.6318 12.2290 12.2554 k = 0.0000 0.0000 0.3439 ( 2960 PWs) bands (ev): -25.9075 -25.9075 -8.7663 -8.7610 -7.6615 -7.6525 -7.6102 -7.6089 -2.0009 -2.0000 1.6182 1.6335 2.2766 2.2780 4.3393 4.3556 4.7527 4.8430 5.6331 5.6636 5.9920 6.0820 6.2637 6.2880 6.4650 6.5568 7.5690 7.6441 8.2174 8.2887 8.3150 8.3360 8.7992 8.8489 11.2047 11.2592 11.5519 11.5600 12.3621 12.3887 k = 0.0000 0.0000 0.3630 ( 2962 PWs) bands (ev): -25.9073 -25.9073 -8.7676 -8.7622 -7.6624 -7.6530 -7.6132 -7.6119 -1.9495 -1.9486 1.5599 1.5748 2.2566 2.2590 4.3294 4.3483 4.7720 4.8634 5.6024 5.6354 5.9839 6.0781 6.2732 6.2884 6.4683 6.5615 7.5579 7.6243 8.1429 8.2187 8.2422 8.2606 8.9320 8.9846 11.2052 11.2732 11.5310 11.5507 12.4957 12.5228 k = 0.0000 0.0000 0.3821 ( 2964 PWs) bands (ev): -25.9071 -25.9071 -8.7690 -8.7635 -7.6632 -7.6536 -7.6163 -7.6148 -1.8956 -1.8949 1.5020 1.5166 2.2344 2.2379 4.3209 4.3422 4.7919 4.8843 5.5714 5.6064 5.9756 6.0725 6.2784 6.2859 6.4708 6.5654 7.5422 7.5991 8.0741 8.1530 8.1677 8.1867 9.0772 9.1309 11.1584 11.2262 11.5807 11.5982 12.6297 12.6573 k = 0.0000 0.0000 0.4012 ( 2956 PWs) bands (ev): -25.9069 -25.9069 -8.7703 -8.7648 -7.6640 -7.6542 -7.6194 -7.6177 -1.8395 -1.8390 1.4449 1.4591 2.2101 2.2145 4.3138 4.3374 4.8124 4.9057 5.5402 5.5768 5.9672 6.0651 6.2788 6.2801 6.4724 6.5685 7.5226 7.5696 8.0108 8.0860 8.0951 8.1221 9.2305 9.2846 11.0921 11.1572 11.6615 11.6744 12.7639 12.7922 k = 0.0000 0.0000 0.4203 ( 2960 PWs) bands (ev): -25.9067 -25.9067 -8.7716 -8.7661 -7.6647 -7.6548 -7.6225 -7.6207 -1.7812 -1.7808 1.3887 1.4025 2.1835 2.1889 4.3080 4.3338 4.8334 4.9276 5.5089 5.5467 5.9584 6.0560 6.2705 6.2740 6.4732 6.5709 7.4998 7.5372 7.9505 8.0136 8.0277 8.0709 9.3900 9.4442 11.0235 11.0875 11.7515 11.7613 12.8981 12.9271 k = 0.0000 0.0000 0.4394 ( 2956 PWs) bands (ev): -25.9065 -25.9065 -8.7730 -8.7674 -7.6655 -7.6555 -7.6256 -7.6236 -1.7206 -1.7205 1.3335 1.3469 2.1545 2.1610 4.3034 4.3312 4.8548 4.9501 5.4775 5.5163 5.9495 6.0452 6.2574 6.2640 6.4731 6.5725 7.4753 7.5036 7.8893 7.9395 7.9690 8.0286 9.5547 9.6090 10.9597 11.0235 11.8433 11.8515 13.0321 13.0619 k = 0.0000 0.0000 0.4585 ( 2948 PWs) bands (ev): -25.9063 -25.9063 -8.7743 -8.7688 -7.6662 -7.6561 -7.6286 -7.6265 -1.6582 -1.6580 1.2795 1.2925 2.1233 2.1306 4.2998 4.3295 4.8766 4.9732 5.4459 5.4856 5.9405 6.0323 6.2413 6.2490 6.4721 6.5735 7.4502 7.4706 7.8247 7.8659 7.9203 7.9916 9.7241 9.7782 10.9036 10.9678 11.9332 11.9407 13.1655 13.1964 k = 0.0000 0.0000 0.4776 ( 2952 PWs) bands (ev): -25.9061 -25.9061 -8.7756 -8.7701 -7.6669 -7.6568 -7.6316 -7.6294 -1.5938 -1.5934 1.2268 1.2393 2.0896 2.0977 4.2972 4.3283 4.8986 4.9968 5.4143 5.4548 5.9312 6.0172 6.2229 6.2293 6.4703 6.5737 7.4255 7.4393 7.7579 7.7936 7.8794 7.9579 9.8973 9.9514 10.8568 10.9215 12.0184 12.0260 13.2981 13.3301 k = 0.0000 0.0000 0.4968 ( 2948 PWs) bands (ev): -25.9059 -25.9059 -8.7769 -8.7714 -7.6676 -7.6574 -7.6346 -7.6322 -1.5274 -1.5268 1.1756 1.1876 2.0535 2.0623 4.2952 4.3276 4.9208 5.0209 5.3825 5.4242 5.9220 5.9995 6.2034 6.2056 6.4676 6.5734 7.4016 7.4105 7.6908 7.7230 7.8434 7.9262 10.0741 10.1281 10.8201 10.8853 12.0963 12.1047 13.4293 13.4625 k = 0.0000 0.0000 0.5159 ( 2950 PWs) bands (ev): -25.9057 -25.9057 -8.7782 -8.7728 -7.6683 -7.6581 -7.6374 -7.6349 -1.4592 -1.4584 1.1259 1.1375 2.0149 2.0244 4.2937 4.3271 4.9428 5.0455 5.3507 5.3940 5.9128 5.9792 6.1789 6.1838 6.4640 6.5724 7.3786 7.3845 7.6249 7.6542 7.8101 7.8954 10.2540 10.3080 10.7941 10.8597 12.1644 12.1743 13.5578 13.5923 k = 0.0000 0.0000 0.5350 ( 2954 PWs) bands (ev): -25.9055 -25.9055 -8.7794 -8.7741 -7.6689 -7.6588 -7.6402 -7.6376 -1.3892 -1.3881 1.0778 1.0889 1.9738 1.9838 4.2925 4.3266 4.9643 5.0706 5.3188 5.3647 5.9038 5.9563 6.1500 6.1653 6.4594 6.5707 7.3560 7.3613 7.5613 7.5875 7.7784 7.8650 10.4365 10.4904 10.7791 10.8450 12.2202 12.2322 13.6791 13.7115 k = 0.0000 0.0000 0.5541 ( 2952 PWs) bands (ev): -25.9053 -25.9053 -8.7806 -8.7754 -7.6695 -7.6594 -7.6429 -7.6402 -1.3175 -1.3161 1.0315 1.0421 1.9303 1.9406 4.2914 4.3258 4.9850 5.0960 5.2869 5.3367 5.8950 5.9313 6.1201 6.1483 6.4539 6.5683 7.3328 7.3407 7.5013 7.5230 7.7474 7.8345 10.6212 10.6745 10.7751 10.8416 12.2616 12.2764 13.7598 13.7714 k = 0.0000 0.0000 0.5732 ( 2940 PWs) bands (ev): -25.9051 -25.9051 -8.7817 -8.7766 -7.6700 -7.6601 -7.6455 -7.6427 -1.2442 -1.2425 0.9870 0.9971 1.8843 1.8948 4.2901 4.3246 5.0038 5.1216 5.2553 5.3111 5.8864 5.9050 6.0904 6.1332 6.4475 6.5652 7.3071 7.3221 7.4468 7.4610 7.7169 7.8036 10.7815 10.8082 10.8344 10.8746 12.2874 12.3051 13.7889 13.7951 k = 0.0000 0.0000 0.5923 ( 2936 PWs) bands (ev): -25.9049 -25.9049 -8.7828 -8.7779 -7.6706 -7.6608 -7.6480 -7.6451 -1.1692 -1.1673 0.9443 0.9539 1.8357 1.8464 4.2885 4.3227 5.0196 5.1465 5.2246 5.2891 5.8781 5.8782 6.0617 6.1199 6.4399 6.5611 7.2765 7.3048 7.4001 7.4021 7.6866 7.7722 10.7994 10.8603 10.9954 11.0535 12.2972 12.3179 13.8098 13.8153 k = 0.0000 0.0000 0.6114 ( 2932 PWs) bands (ev): -25.9047 -25.9047 -8.7838 -8.7791 -7.6711 -7.6616 -7.6503 -7.6474 -1.0928 -1.0907 0.9035 0.9127 1.7847 1.7953 4.2864 4.3200 5.0306 5.1650 5.2008 5.2727 5.8520 5.8699 6.0351 6.1083 6.4312 6.5560 7.2391 7.2872 7.3477 7.3631 7.6564 7.7403 10.8272 10.8871 11.1838 11.2419 12.2917 12.3151 13.8295 13.8348 k = 0.0000 0.0000 0.6305 ( 2934 PWs) bands (ev): -25.9045 -25.9045 -8.7848 -8.7803 -7.6715 -7.6623 -7.6525 -7.6496 -1.0150 -1.0126 0.8647 0.8734 1.7312 1.7416 4.2836 4.3164 5.0348 5.1508 5.2100 5.2637 5.8270 5.8616 6.0115 6.0981 6.4213 6.5498 7.1959 7.2628 7.3042 7.3349 7.6265 7.7078 10.8646 10.9228 11.3722 11.4310 12.2727 12.2982 13.8489 13.8540 k = 0.0000 0.0000 0.6496 ( 2936 PWs) bands (ev): -25.9044 -25.9044 -8.7858 -8.7814 -7.6720 -7.6631 -7.6546 -7.6516 -0.9360 -0.9333 0.8279 0.8361 1.6752 1.6853 4.2802 4.3119 5.0311 5.1217 5.2347 5.2637 5.8039 5.8531 5.9917 6.0892 6.4101 6.5422 7.1500 7.2229 7.2803 7.3125 7.5969 7.6749 10.9111 10.9670 11.5599 11.6198 12.2428 12.2695 13.8680 13.8722 k = 0.0000 0.0000 0.6687 ( 2934 PWs) bands (ev): -25.9042 -25.9042 -8.7867 -8.7825 -7.6724 -7.6639 -7.6564 -7.6536 -0.8557 -0.8529 0.7932 0.8009 1.6169 1.6265 4.2761 4.3065 5.0199 5.0911 5.2613 5.2721 5.7831 5.8442 5.9763 6.0814 6.3976 6.5331 7.1040 7.1770 7.2664 7.2937 7.5678 7.6418 10.9659 11.0190 11.7462 11.8074 12.2048 12.2315 13.8862 13.8882 k = 0.0000 0.0000 0.6878 ( 2926 PWs) bands (ev): -25.9040 -25.9040 -8.7875 -8.7835 -7.6728 -7.6647 -7.6581 -7.6554 -0.7744 -0.7713 0.7606 0.7678 1.5561 1.5652 4.2712 4.3003 5.0033 5.0607 5.2873 5.2883 5.7649 5.8350 5.9654 6.0746 6.3839 6.5222 7.0597 7.1321 7.2558 7.2772 7.5394 7.6085 11.0283 11.0781 11.9300 11.9924 12.1614 12.1868 13.8980 13.9027 k = 0.0000 0.0000 0.7069 ( 2922 PWs) bands (ev): -25.9039 -25.9039 -8.7883 -8.7845 -7.6731 -7.6657 -7.6595 -7.6571 -0.6921 -0.6889 0.7301 0.7368 1.4931 1.5016 4.2658 4.2933 4.9832 5.0309 5.3072 5.3154 5.7492 5.8255 5.9589 6.0687 6.3687 6.5092 7.0180 7.0896 7.2469 7.2622 7.5118 7.5753 11.0973 11.1431 12.1090 12.1127 12.1394 12.1765 13.8915 13.9027 k = 0.0000 0.0000 0.7260 ( 2930 PWs) bands (ev): -25.9037 -25.9037 -8.7890 -8.7855 -7.6735 -7.6667 -7.6607 -7.6586 -0.6090 -0.6056 0.7018 0.7080 1.4280 1.4357 4.2598 4.2856 4.9615 5.0021 5.3300 5.3421 5.7362 5.8162 5.9563 6.0636 6.3522 6.4938 6.9799 7.0503 7.2393 7.2485 7.4851 7.5423 11.1719 11.2130 12.0668 12.0870 12.2863 12.3524 13.8662 13.8687 k = 0.0000 0.0000 0.7451 ( 2930 PWs) bands (ev): -25.9036 -25.9036 -8.7896 -8.7864 -7.6738 -7.6677 -7.6618 -7.6600 -0.5252 -0.5218 0.6757 0.6814 1.3607 1.3677 4.2536 4.2775 4.9394 4.9745 5.3547 5.3682 5.7257 5.8077 5.9570 6.0593 6.3346 6.4760 6.9457 7.0142 7.2330 7.2362 7.4594 7.5098 11.2507 11.2862 12.0217 12.0369 12.4555 12.5231 13.8286 13.8313 k = 0.0000 0.0000 0.7642 ( 2930 PWs) bands (ev): -25.9035 -25.9035 -8.7902 -8.7872 -7.6741 -7.6688 -7.6626 -7.6612 -0.4409 -0.4374 0.6518 0.6570 1.2916 1.2977 4.2471 4.2692 4.9178 4.9483 5.3803 5.3935 5.7176 5.8002 5.9604 6.0556 6.3160 6.4558 6.9158 6.9815 7.2253 7.2279 7.4348 7.4778 11.3321 11.3604 11.9809 11.9893 12.6168 12.6856 13.7847 13.7909 k = 0.0000 0.0000 0.7833 ( 2926 PWs) bands (ev): -25.9034 -25.9034 -8.7907 -8.7880 -7.6744 -7.6699 -7.6633 -7.6623 -0.3564 -0.3528 0.6301 0.6348 1.2207 1.2260 4.2407 4.2608 4.8971 4.9238 5.4061 5.4177 5.7117 5.7941 5.9657 6.0526 6.2969 6.4331 6.8904 6.9521 7.2161 7.2240 7.4113 7.4468 11.4136 11.4326 11.9470 11.9478 12.7684 12.8379 13.7370 13.7460 k = 0.0000 0.0000 0.8024 ( 2930 PWs) bands (ev): -25.9033 -25.9033 -8.7911 -8.7887 -7.6747 -7.6709 -7.6639 -7.6633 -0.2718 -0.2683 0.6107 0.6149 1.1484 1.1528 4.2345 4.2525 4.8779 4.9012 5.4314 5.4404 5.7080 5.7893 5.9725 6.0500 6.2778 6.4085 6.8692 6.9261 7.2086 7.2214 7.3889 7.4167 11.4911 11.4979 11.9138 11.9268 12.9084 12.9777 13.6858 13.6972 k = 0.0000 0.0000 0.8216 ( 2930 PWs) bands (ev): -25.9032 -25.9032 -8.7915 -8.7894 -7.6749 -7.6718 -7.6644 -7.6641 -0.1875 -0.1841 0.5936 0.5973 1.0750 1.0786 4.2287 4.2446 4.8605 4.8806 5.4556 5.4614 5.7065 5.7858 5.9802 6.0477 6.2593 6.3824 6.8522 6.9033 7.2032 7.2201 7.3678 7.3880 11.5496 11.5576 11.8959 11.9237 13.0351 13.1028 13.6314 13.6448 k = 0.0000 0.0000 0.8407 ( 2922 PWs) bands (ev): -25.9031 -25.9031 -8.7918 -8.7899 -7.6752 -7.6726 -7.6649 -7.6647 -0.1040 -0.1007 0.5787 0.5819 1.0010 1.0037 4.2234 4.2372 4.8452 4.8622 5.4781 5.4804 5.7072 5.7832 5.9883 6.0457 6.2423 6.3555 6.8388 6.8835 7.2000 7.2203 7.3479 7.3606 11.5821 11.6032 11.9025 11.9431 13.1471 13.2114 13.5749 13.5896 k = 0.0000 0.0000 0.8598 ( 2920 PWs) bands (ev): -25.9030 -25.9030 -8.7920 -8.7905 -7.6754 -7.6734 -7.6653 -7.6652 -0.0219 -0.0189 0.5661 0.5688 0.9270 0.9290 4.2189 4.2304 4.8321 4.8462 5.4970 5.4978 5.7102 5.7810 5.9964 6.0435 6.2277 6.3286 6.8289 6.8666 7.1991 7.2220 7.3293 7.3350 11.5959 11.6222 11.9372 11.9823 13.2430 13.3017 13.5181 13.5333 k = 0.0000 0.0000 0.8789 ( 2916 PWs) bands (ev): -25.9030 -25.9030 -8.7922 -8.7909 -7.6755 -7.6740 -7.6656 -7.6656 0.0575 0.0602 0.5558 0.5581 0.8544 0.8556 4.2152 4.2245 4.8215 4.8327 5.5112 5.5143 5.7157 5.7785 6.0042 6.0412 6.2166 6.3024 6.8220 6.8524 7.2008 7.2251 7.3112 7.3121 11.5977 11.6221 11.9903 12.0322 13.3221 13.3722 13.4645 13.4786 k = 0.0000 0.0000 0.8980 ( 2920 PWs) bands (ev): -25.9029 -25.9029 -8.7922 -8.7913 -7.6756 -7.6745 -7.6659 -7.6658 0.1321 0.1344 0.5477 0.5495 0.7852 0.7857 4.2125 4.2195 4.8134 4.8218 5.5227 5.5268 5.7234 5.7748 6.0113 6.0386 6.2100 6.2778 6.8178 6.8407 7.2050 7.2295 7.2897 7.2963 11.5944 11.6136 12.0478 12.0820 13.3801 13.4011 13.4328 13.4393 k = 0.0000 0.0000 0.9171 ( 2916 PWs) bands (ev): -25.9029 -25.9029 -8.7923 -8.7917 -7.6757 -7.6750 -7.6661 -7.6660 0.1979 0.1997 0.5419 0.5432 0.7235 0.7235 4.2109 4.2156 4.8079 4.8135 5.5315 5.5352 5.7329 5.7696 6.0176 6.0356 6.2086 6.2557 6.8161 6.8314 7.2118 7.2348 7.2712 7.2821 11.5906 11.6037 12.0988 12.1230 13.3685 13.3759 13.4415 13.4673 k = 0.0000 0.0000 0.9362 ( 2924 PWs) bands (ev): -25.9029 -25.9029 -8.7922 -8.7919 -7.6756 -7.6753 -7.6662 -7.6661 0.2468 0.2478 0.5384 0.5391 0.6773 0.6775 4.2103 4.2127 4.8052 4.8080 5.5372 5.5394 5.7432 5.7624 6.0231 6.0320 6.2128 6.2369 6.8166 6.8243 7.2208 7.2379 7.2588 7.2698 11.5889 11.5954 12.1355 12.1481 13.3442 13.3492 13.4700 13.4841 k = 0.0000 0.0000 0.9553 ( 2924 PWs) bands (ev): -25.9029 -25.9029 -8.7921 -8.7921 -7.6755 -7.6755 -7.6662 -7.6662 0.2661 0.2661 0.5373 0.5373 0.6595 0.6595 4.2109 4.2109 4.8052 4.8052 5.5400 5.5400 5.7534 5.7534 6.0279 6.0279 6.2224 6.2224 6.8194 6.8194 7.2313 7.2313 7.2603 7.2603 11.5904 11.5904 12.1527 12.1527 13.3374 13.3374 13.4849 13.4849 k = 0.0000 0.0000 0.9553 ( 2924 PWs) bands (ev): -25.9029 -25.9029 -8.7921 -8.7921 -7.6755 -7.6755 -7.6662 -7.6662 0.2661 0.2661 0.5373 0.5373 0.6595 0.6595 4.2109 4.2109 4.8052 4.8052 5.5400 5.5400 5.7534 5.7534 6.0279 6.0279 6.2224 6.2224 6.8194 6.8194 7.2313 7.2313 7.2603 7.2603 11.5904 11.5904 12.1527 12.1527 13.3374 13.3374 13.4849 13.4849 k =-0.0094 0.0154 0.9553 ( 2924 PWs) bands (ev): -25.9029 -25.9029 -8.7923 -8.7919 -7.6756 -7.6753 -7.6666 -7.6658 0.2511 0.2524 0.5499 0.5510 0.6603 0.6608 4.2113 4.2155 4.8014 4.8091 5.5328 5.5457 5.7446 5.7606 6.0206 6.0285 6.2172 6.2317 6.7993 6.8301 7.2253 7.2488 7.2625 7.2691 11.5893 11.5897 12.1508 12.1515 13.3268 13.3427 13.4855 13.4937 k =-0.0189 0.0307 0.9553 ( 2922 PWs) bands (ev): -25.9029 -25.9029 -8.7924 -8.7916 -7.6756 -7.6750 -7.6671 -7.6654 0.2138 0.2159 0.5827 0.5845 0.6632 0.6641 4.2166 4.2250 4.7978 4.8132 5.5240 5.5498 5.7341 5.7662 6.0080 6.0216 6.2171 6.2437 6.7734 6.8301 7.2350 7.2641 7.2731 7.2991 11.5863 11.5872 12.1457 12.1471 13.3128 13.3418 13.4962 13.5100 k =-0.0283 0.0461 0.9553 ( 2916 PWs) bands (ev): -25.9029 -25.9029 -8.7925 -8.7914 -7.6754 -7.6746 -7.6676 -7.6651 0.1638 0.1663 0.6257 0.6275 0.6689 0.6701 4.2265 4.2393 4.7945 4.8173 5.5139 5.5523 5.7217 5.7704 5.9917 6.0075 6.2221 6.2574 6.7450 6.8213 7.2559 7.2796 7.2945 7.3444 11.5815 11.5829 12.1374 12.1395 13.2961 13.3348 13.5160 13.5320 k =-0.0377 0.0614 0.9553 ( 2918 PWs) bands (ev): -25.9030 -25.9030 -8.7925 -8.7910 -7.6752 -7.6740 -7.6680 -7.6648 0.1071 0.1096 0.6655 0.6658 0.6857 0.6860 4.2408 4.2581 4.7915 4.8216 5.5022 5.5531 5.7071 5.7726 5.9726 5.9875 6.2315 6.2719 6.7169 6.8076 7.2808 7.2993 7.3304 7.3980 11.5749 11.5769 12.1256 12.1286 13.2767 13.3224 13.5429 13.5580 k =-0.0472 0.0768 0.9553 ( 2914 PWs) bands (ev): -25.9030 -25.9030 -8.7925 -8.7907 -7.6748 -7.6734 -7.6685 -7.6644 0.0465 0.0489 0.6791 0.6812 0.7298 0.7312 4.2591 4.2809 4.7892 4.8259 5.4893 5.5522 5.6900 5.7724 5.9521 5.9638 6.2442 6.2865 6.6911 6.7928 7.3072 7.3236 7.3793 7.4574 11.5665 11.5691 12.1103 12.1142 13.2536 13.3040 13.5752 13.5849 k =-0.0566 0.0921 0.9553 ( 2922 PWs) bands (ev): -25.9031 -25.9031 -8.7924 -8.7902 -7.6744 -7.6728 -7.6690 -7.6641 -0.0165 -0.0143 0.6900 0.6927 0.7803 0.7813 4.2806 4.3072 4.7875 4.8304 5.4751 5.5496 5.6702 5.7686 5.9310 5.9388 6.2595 6.3007 6.6687 6.7800 7.3366 7.3527 7.4369 7.5212 11.5563 11.5597 12.0910 12.0961 13.2252 13.2785 13.5604 13.5670 k =-0.0660 0.1075 0.9553 ( 2918 PWs) bands (ev): -25.9031 -25.9031 -8.7923 -8.7898 -7.6738 -7.6722 -7.6693 -7.6638 -0.0811 -0.0792 0.7023 0.7054 0.8311 0.8317 4.3049 4.3361 4.7869 4.8352 5.4598 5.5452 5.6473 5.7593 5.9104 5.9157 6.2766 6.3141 6.6510 6.7715 7.3699 7.3862 7.5005 7.5885 11.5445 11.5486 12.0674 12.0737 13.1900 13.2439 13.4440 13.4459 k =-0.0755 0.1229 0.9553 ( 2922 PWs) bands (ev): -25.9032 -25.9032 -8.7922 -8.7893 -7.6733 -7.6719 -7.6691 -7.6634 -0.1467 -0.1452 0.7162 0.7198 0.8815 0.8815 4.3312 4.3670 4.7877 4.8403 5.4435 5.5391 5.6213 5.7424 5.8911 5.8976 6.2946 6.3262 6.6389 6.7688 7.4071 7.4240 7.5685 7.6588 11.5310 11.5361 12.0386 12.0466 13.1462 13.1975 13.3166 13.3180 k =-0.0849 0.1382 0.9553 ( 2922 PWs) bands (ev): -25.9033 -25.9033 -8.7920 -8.7888 -7.6726 -7.6721 -7.6684 -7.6630 -0.2130 -0.2119 0.7319 0.7360 0.9304 0.9311 4.3587 4.3985 4.7903 4.8460 5.4263 5.5311 5.5921 5.7173 5.8739 5.8861 6.3126 6.3365 6.6339 6.7735 7.4482 7.4658 7.6400 7.7315 11.5161 11.5221 12.0039 12.0138 13.0916 13.1305 13.1875 13.1962 k =-0.0943 0.1536 0.9553 ( 2930 PWs) bands (ev): -25.9034 -25.9034 -8.7918 -8.7882 -7.6726 -7.6720 -7.6673 -7.6625 -0.2797 -0.2790 0.7494 0.7539 0.9783 0.9796 4.3864 4.4295 4.7955 4.8522 5.4084 5.5215 5.5603 5.6854 5.8591 5.8807 6.3293 6.3445 6.6373 6.7864 7.4932 7.5114 7.7142 7.8064 11.4999 11.5067 11.9617 11.9740 13.0161 13.0232 13.0685 13.1064 k =-0.0943 0.1536 0.9553 ( 2930 PWs) bands (ev): -25.9034 -25.9034 -8.7918 -8.7882 -7.6726 -7.6720 -7.6673 -7.6625 -0.2797 -0.2790 0.7494 0.7539 0.9783 0.9796 4.3864 4.4295 4.7955 4.8522 5.4084 5.5215 5.5603 5.6854 5.8591 5.8807 6.3293 6.3445 6.6373 6.7864 7.4932 7.5114 7.7142 7.8064 11.4999 11.5067 11.9617 11.9740 13.0161 13.0232 13.0685 13.1064 k =-0.1013 0.1649 0.9419 ( 2932 PWs) bands (ev): -25.9035 -25.9035 -8.7916 -8.7878 -7.6733 -7.6715 -7.6663 -7.6619 -0.3300 -0.3294 0.7535 0.7580 1.0242 1.0257 4.4069 4.4517 4.8019 4.8581 5.3934 5.5104 5.5358 5.6613 5.8450 5.8855 6.3389 6.3513 6.6464 6.8014 7.5288 7.5489 7.7711 7.8634 11.4879 11.4963 11.9194 11.9344 12.9064 12.9410 13.0060 13.0615 k =-0.1083 0.1763 0.9286 ( 2928 PWs) bands (ev): -25.9036 -25.9036 -8.7913 -8.7873 -7.6742 -7.6712 -7.6652 -7.6607 -0.3811 -0.3803 0.7437 0.7476 1.0862 1.0875 4.4274 4.4731 4.8112 4.8658 5.3751 5.4920 5.5116 5.6421 5.8293 5.8968 6.3444 6.3615 6.6615 6.8206 7.5665 7.5908 7.8295 7.9216 11.4775 11.4885 11.8611 11.8795 12.7928 12.8328 12.9658 13.0227 k =-0.1153 0.1877 0.9152 ( 2933 PWs) bands (ev): -25.9037 -25.9037 -8.7910 -8.7868 -7.6753 -7.6712 -7.6638 -7.6590 -0.4325 -0.4312 0.7260 0.7294 1.1569 1.1579 4.4479 4.4937 4.8234 4.8752 5.3531 5.4659 5.4892 5.6289 5.8150 5.9104 6.3482 6.3726 6.6826 6.8435 7.6070 7.6366 7.8889 7.9805 11.4691 11.4830 11.7865 11.8080 12.6835 12.7235 12.9283 12.9842 k =-0.1223 0.1991 0.9018 ( 2935 PWs) bands (ev): -25.9038 -25.9038 -8.7907 -8.7862 -7.6764 -7.6716 -7.6622 -7.6570 -0.4834 -0.4816 0.7041 0.7069 1.2321 1.2329 4.4682 4.5135 4.8380 4.8863 5.3276 5.4340 5.4700 5.6203 5.8026 5.9250 6.3517 6.3836 6.7097 6.8700 7.6505 7.6860 7.9490 8.0399 11.4631 11.4797 11.6951 11.7193 12.5819 12.6199 12.8909 12.9455 k =-0.1293 0.2105 0.8885 ( 2935 PWs) bands (ev): -25.9039 -25.9039 -8.7903 -8.7857 -7.6776 -7.6723 -7.6603 -7.6548 -0.5335 -0.5312 0.6798 0.6822 1.3095 1.3102 4.4885 4.5326 4.8544 4.8988 5.2993 5.3990 5.4535 5.6144 5.7921 5.9398 6.3557 6.3943 6.7423 6.8996 7.6974 7.7388 8.0094 8.0993 11.4592 11.4781 11.5873 11.6140 12.4901 12.5252 12.8537 12.9069 k =-0.1363 0.2219 0.8751 ( 2939 PWs) bands (ev): -25.9040 -25.9040 -8.7899 -8.7851 -7.6788 -7.6731 -7.6581 -7.6524 -0.5825 -0.5796 0.6541 0.6562 1.3877 1.3885 4.5088 4.5514 4.8719 4.9126 5.2692 5.3633 5.4392 5.6097 5.7833 5.9542 6.3604 6.4051 6.7801 6.9321 7.7477 7.7952 8.0697 8.1585 11.4473 11.4679 11.4734 11.5042 12.4093 12.4409 12.8166 12.8686 k =-0.1433 0.2333 0.8618 ( 2941 PWs) bands (ev): -25.9041 -25.9041 -8.7895 -8.7845 -7.6801 -7.6740 -7.6558 -7.6498 -0.6302 -0.6268 0.6277 0.6295 1.4659 1.4667 4.5295 4.5703 4.8895 4.9273 5.2388 5.3284 5.4266 5.6055 5.7761 5.9678 6.3663 6.4162 6.8223 6.9672 7.8015 7.8551 8.1296 8.2171 11.3216 11.3498 11.4623 11.4898 12.3393 12.3676 12.7800 12.8309 k =-0.1503 0.2447 0.8484 ( 2943 PWs) bands (ev): -25.9042 -25.9042 -8.7890 -8.7839 -7.6815 -7.6751 -7.6533 -7.6471 -0.6763 -0.6724 0.6008 0.6026 1.5433 1.5442 4.5505 4.5896 4.9063 4.9427 5.2091 5.2955 5.4152 5.6012 5.7702 5.9800 6.3738 6.4279 6.8686 7.0045 7.8589 7.9185 8.1887 8.2747 11.1724 11.2022 11.4660 11.4951 12.2793 12.3047 12.7440 12.7939 k =-0.1573 0.2560 0.8350 ( 2953 PWs) bands (ev): -25.9044 -25.9044 -8.7885 -8.7834 -7.6828 -7.6761 -7.6507 -7.6444 -0.7208 -0.7164 0.5738 0.5758 1.6193 1.6203 4.5722 4.6096 4.9214 4.9580 5.1814 5.2654 5.4047 5.5966 5.7655 5.9905 6.3833 6.4407 6.9181 7.0437 7.9201 7.9855 8.2467 8.3310 11.0137 11.0448 11.4723 11.5033 12.2284 12.2515 12.7088 12.7579 k =-0.1643 0.2674 0.8217 ( 2947 PWs) bands (ev): -25.9045 -25.9045 -8.7880 -8.7828 -7.6842 -7.6773 -7.6480 -7.6416 -0.7636 -0.7586 0.5470 0.5493 1.6934 1.6945 4.5946 4.6305 4.9344 4.9722 5.1576 5.2391 5.3950 5.5917 5.7616 5.9990 6.3950 6.4549 6.9703 7.0844 7.9851 8.0562 8.3033 8.3856 10.8484 10.8806 11.4808 11.5134 12.1856 12.2073 12.6746 12.7231 k =-0.1713 0.2788 0.8083 ( 2952 PWs) bands (ev): -25.9046 -25.9046 -8.7875 -8.7822 -7.6855 -7.6784 -7.6452 -7.6388 -0.8045 -0.7990 0.5206 0.5233 1.7651 1.7663 4.6175 4.6522 4.9450 4.9834 5.1395 5.2172 5.3859 5.5865 5.7584 6.0054 6.4091 6.4706 7.0243 7.1263 8.0539 8.1307 8.3580 8.4380 10.6786 10.7120 11.4908 11.5246 12.1505 12.1715 12.6415 12.6895 k =-0.1783 0.2902 0.7949 ( 2952 PWs) bands (ev): -25.9048 -25.9048 -8.7869 -8.7817 -7.6869 -7.6796 -7.6424 -7.6360 -0.8435 -0.8375 0.4948 0.4979 1.8340 1.8353 4.6407 4.6743 4.9531 4.9902 5.1295 5.2005 5.3775 5.5811 5.7555 6.0095 6.4259 6.4882 7.0794 7.1689 8.1269 8.2089 8.4105 8.4879 10.5063 10.5408 11.5016 11.5363 12.1227 12.1439 12.6096 12.6572 k =-0.1853 0.3016 0.7816 ( 2949 PWs) bands (ev): -25.9049 -25.9049 -8.7864 -8.7812 -7.6882 -7.6807 -7.6396 -7.6332 -0.8805 -0.8740 0.4698 0.4733 1.8996 1.9010 4.6634 4.6959 4.9592 4.9928 5.1285 5.1892 5.3697 5.5756 5.7528 6.0114 6.4455 6.5079 7.1349 7.2118 8.2038 8.2907 8.4604 8.5347 10.3332 10.3689 11.5124 11.5473 12.1021 12.1244 12.5791 12.6262 k =-0.1922 0.3130 0.7682 ( 2947 PWs) bands (ev): -25.9051 -25.9050 -8.7859 -8.7807 -7.6895 -7.6819 -7.6367 -7.6304 -0.9154 -0.9085 0.4457 0.4496 1.9616 1.9631 4.6847 4.7158 4.9639 4.9943 5.1353 5.1831 5.3624 5.5700 5.7501 6.0111 6.4680 6.5301 7.1899 7.2545 8.2848 8.3760 8.5074 8.5777 10.1610 10.1979 11.5215 11.5562 12.0888 12.1131 12.5500 12.5965 k =-0.1992 0.3244 0.7548 ( 2945 PWs) bands (ev): -25.9052 -25.9052 -8.7854 -8.7802 -7.6908 -7.6830 -7.6339 -7.6277 -0.9483 -0.9409 0.4226 0.4269 2.0198 2.0214 4.7030 4.7323 4.9684 4.9997 5.1474 5.1817 5.3559 5.5644 5.7473 6.0088 6.4936 6.5549 7.2438 7.2965 8.3693 8.4638 8.5513 8.6162 9.9916 10.0299 11.5273 11.5613 12.0831 12.1100 12.5222 12.5677 k =-0.2062 0.3358 0.7415 ( 2951 PWs) bands (ev): -25.9053 -25.9053 -8.7849 -8.7798 -7.6920 -7.6841 -7.6311 -7.6251 -0.9790 -0.9712 0.4007 0.4054 2.0739 2.0756 4.7168 4.7436 4.9752 5.0118 5.1625 5.1844 5.3502 5.5589 5.7443 6.0045 6.5224 6.5828 7.2957 7.3375 8.4562 8.5510 8.5945 8.6493 9.8274 9.8670 11.5271 11.5602 12.0851 12.1148 12.4958 12.5384 k =-0.2132 0.3471 0.7281 ( 2952 PWs) bands (ev): -25.9054 -25.9054 -8.7844 -8.7794 -7.6932 -7.6851 -7.6284 -7.6226 -1.0075 -0.9993 0.3800 0.3851 2.1237 2.1254 4.7254 4.7488 4.9869 5.0310 5.1781 5.1921 5.3456 5.5536 5.7409 5.9985 6.5547 6.6140 7.3450 7.3771 8.5404 8.6162 8.6557 8.6790 9.6717 9.7124 11.5176 11.5502 12.0948 12.1270 12.4694 12.5032 k =-0.2202 0.3585 0.7148 ( 2954 PWs) bands (ev): -25.9055 -25.9055 -8.7839 -8.7791 -7.6943 -7.6861 -7.6258 -7.6203 -1.0339 -1.0253 0.3607 0.3661 2.1692 2.1709 4.7287 4.7483 5.0041 5.0558 5.1897 5.2080 5.3426 5.5485 5.7370 5.9909 6.5909 6.6488 7.3910 7.4150 8.5999 8.6664 8.6939 8.7526 9.5301 9.5707 11.4948 11.5280 12.1116 12.1449 12.4236 12.4573 k =-0.2272 0.3699 0.7014 ( 2953 PWs) bands (ev): -25.9057 -25.9056 -8.7834 -8.7787 -7.6954 -7.6871 -7.6233 -7.6180 -1.0580 -1.0491 0.3428 0.3486 2.2103 2.2119 4.7278 4.7437 5.0253 5.0838 5.1991 5.2301 5.3421 5.5438 5.7326 5.9818 6.6311 6.6876 7.4330 7.4511 8.6167 8.6765 8.7665 8.8396 9.4126 9.4491 11.4545 11.4898 12.1341 12.1651 12.3433 12.4223 k =-0.2342 0.3813 0.6880 ( 2951 PWs) bands (ev): -25.9058 -25.9057 -8.7830 -8.7784 -7.6964 -7.6879 -7.6210 -7.6160 -1.0799 -1.0707 0.3264 0.3325 2.2469 2.2485 4.7240 4.7364 5.0482 5.1120 5.2086 5.2553 5.3453 5.5394 5.7277 5.9714 6.6757 6.7305 7.4701 7.4854 8.6023 8.6519 8.8549 8.9146 9.3365 9.3582 11.3937 11.4327 12.1579 12.1816 12.2778 12.3756 k =-0.2412 0.3927 0.6747 ( 2955 PWs) bands (ev): -25.9058 -25.9058 -8.7826 -8.7782 -7.6973 -7.6887 -7.6188 -7.6141 -1.0995 -1.0900 0.3116 0.3179 2.2792 2.2808 4.7184 4.7278 5.0706 5.1376 5.2181 5.2822 5.3545 5.5354 5.7222 5.9597 6.7249 6.7778 7.5021 7.5175 8.5567 8.5982 8.9311 8.9670 9.3111 9.3227 11.3117 11.3560 12.1677 12.1893 12.2481 12.3437 k =-0.2482 0.4041 0.6613 ( 2949 PWs) bands (ev): -25.9059 -25.9059 -8.7823 -8.7780 -7.6981 -7.6894 -7.6168 -7.6125 -1.1168 -1.1071 0.2984 0.3049 2.3073 2.3088 4.7121 4.7190 5.0913 5.1585 5.2268 5.3093 5.3719 5.5320 5.7162 5.9469 6.7790 6.8294 7.5293 7.5464 8.4815 8.5178 8.9675 9.0098 9.3194 9.3715 11.2114 11.2616 12.1549 12.1893 12.2576 12.3273 k =-0.2552 0.4155 0.6479 ( 2947 PWs) bands (ev): -25.9060 -25.9060 -8.7819 -8.7778 -7.6988 -7.6901 -7.6150 -7.6110 -1.1319 -1.1220 0.2869 0.2936 2.3313 2.3327 4.7057 4.7107 5.1094 5.1741 5.2332 5.3355 5.3974 5.5291 5.7097 5.9334 6.8376 6.8851 7.5521 7.5709 8.3853 8.4198 8.9784 9.0400 9.3802 9.4581 11.0975 11.1534 12.1436 12.1860 12.2774 12.3151 k =-0.2622 0.4268 0.6346 ( 2948 PWs) bands (ev): -25.9061 -25.9061 -8.7817 -8.7776 -7.6994 -7.6906 -7.6135 -7.6098 -1.1447 -1.1345 0.2770 0.2839 2.3513 2.3526 4.6996 4.7031 5.1246 5.1853 5.2369 5.3610 5.4277 5.5269 5.7028 5.9194 6.9001 6.9440 7.5705 7.5901 8.2797 8.3149 8.9853 9.0559 9.4736 9.5619 10.9753 11.0362 12.1407 12.1859 12.2899 12.3038 k =-0.2692 0.4382 0.6212 ( 2950 PWs) bands (ev): -25.9061 -25.9061 -8.7814 -8.7775 -7.6999 -7.6911 -7.6122 -7.6088 -1.1551 -1.1448 0.2689 0.2760 2.3675 2.3686 4.6942 4.6967 5.1371 5.1932 5.2383 5.3851 5.4584 5.5255 5.6959 5.9055 6.9649 7.0044 7.5841 7.6031 8.1748 8.2122 8.9918 9.0656 9.5821 9.6720 10.8504 10.9146 12.1449 12.1897 12.2870 12.2989 k =-0.2762 0.4496 0.6078 ( 2956 PWs) bands (ev): -25.9062 -25.9062 -8.7812 -8.7774 -7.7003 -7.6914 -7.6111 -7.6081 -1.1633 -1.1529 0.2626 0.2698 2.3800 2.3809 4.6897 4.6917 5.1469 5.1987 5.2383 5.4063 5.4859 5.5251 5.6894 5.8925 7.0290 7.0632 7.5926 7.6090 8.0796 8.1197 8.9977 9.0723 9.6951 9.7808 10.7291 10.7938 12.1538 12.1954 12.2767 12.2957 k =-0.2832 0.4610 0.5945 ( 2958 PWs) bands (ev): -25.9062 -25.9062 -8.7811 -8.7774 -7.7006 -7.6917 -7.6103 -7.6075 -1.1691 -1.1586 0.2581 0.2653 2.3888 2.3896 4.6862 4.6880 5.1540 5.2022 5.2377 5.4229 5.5066 5.5266 5.6841 5.8816 7.0872 7.1150 7.5960 7.6077 8.0026 8.0455 9.0023 9.0771 9.8036 9.8787 10.6212 10.6810 12.1655 12.1998 12.2688 12.2894 k =-0.2902 0.4724 0.5811 ( 2962 PWs) bands (ev): -25.9062 -25.9062 -8.7810 -8.7773 -7.7007 -7.6918 -7.6099 -7.6072 -1.1726 -1.1621 0.2554 0.2627 2.3941 2.3948 4.6841 4.6859 5.1583 5.2042 5.2372 5.4333 5.5168 5.5310 5.6805 5.8743 7.1305 7.1517 7.5956 7.6020 7.9522 7.9974 9.0053 9.0799 9.8936 9.9484 10.5442 10.5896 12.1776 12.1993 12.2663 12.2818 k =-0.2972 0.4838 0.5678 ( 2964 PWs) bands (ev): -25.9062 -25.9062 -8.7810 -8.7773 -7.7008 -7.6919 -7.6097 -7.6071 -1.1738 -1.1632 0.2545 0.2618 2.3958 2.3965 4.6834 4.6852 5.1596 5.2048 5.2370 5.4368 5.5192 5.5337 5.6793 5.8717 7.1470 7.1648 7.5949 7.5988 7.9347 7.9808 9.0063 9.0808 9.9348 9.9711 10.5185 10.5486 12.1854 12.1957 12.2676 12.2771 k =-0.2972 0.4838 0.5678 ( 2964 PWs) bands (ev): -25.9062 -25.9062 -8.7810 -8.7773 -7.7008 -7.6919 -7.6097 -7.6071 -1.1738 -1.1632 0.2545 0.2618 2.3958 2.3965 4.6834 4.6852 5.1596 5.2048 5.2370 5.4368 5.5192 5.5337 5.6793 5.8717 7.1470 7.1648 7.5949 7.5988 7.9347 7.9808 9.0063 9.0808 9.9348 9.9711 10.5185 10.5486 12.1854 12.1957 12.2676 12.2771 k =-0.2901 0.4723 0.5542 ( 2960 PWs) bands (ev): -25.9061 -25.9061 -8.7811 -8.7778 -7.7009 -7.6928 -7.6095 -7.6071 -1.1364 -1.1257 0.1888 0.1968 2.4352 2.4356 4.6846 4.6878 5.1620 5.1999 5.2590 5.4288 5.5411 5.5483 5.6742 5.8768 7.1900 7.2030 7.5033 7.5090 7.9626 8.0018 8.9094 8.9838 9.8410 9.8792 10.4975 10.5261 12.2221 12.2534 12.2935 12.3049 k =-0.2830 0.4607 0.5407 ( 2958 PWs) bands (ev): -25.9061 -25.9061 -8.7811 -8.7781 -7.7009 -7.6936 -7.6092 -7.6071 -1.1043 -1.0933 0.1311 0.1398 2.4720 2.4736 4.6867 4.6911 5.1612 5.1872 5.2864 5.4229 5.5530 5.5785 5.6719 5.8829 7.2345 7.2414 7.4093 7.4214 7.9932 8.0283 8.8145 8.8884 9.7498 9.7895 10.4805 10.5075 12.2464 12.3024 12.3141 12.3512 k =-0.2759 0.4492 0.5272 ( 2954 PWs) bands (ev): -25.9060 -25.9060 -8.7810 -8.7784 -7.7006 -7.6943 -7.6089 -7.6070 -1.0792 -1.0682 0.0833 0.0926 2.5064 2.5093 4.6896 4.6949 5.1569 5.1710 5.3156 5.4201 5.5689 5.6087 5.6730 5.8899 7.2695 7.2801 7.3293 7.3353 8.0241 8.0567 8.7219 8.7949 9.6613 9.7021 10.4678 10.4931 12.2636 12.3175 12.3649 12.4019 k =-0.2689 0.4377 0.5137 ( 2954 PWs) bands (ev): -25.9060 -25.9060 -8.7808 -8.7787 -7.7002 -7.6948 -7.6085 -7.6069 -1.0631 -1.0521 0.0476 0.0574 2.5382 2.5425 4.6932 4.6992 5.1488 5.1526 5.3458 5.4208 5.5886 5.6353 5.6809 5.8975 7.2142 7.2520 7.3272 7.3373 8.0539 8.0853 8.6321 8.7037 9.5757 9.6175 10.4598 10.4832 12.2778 12.3290 12.4155 12.4530 k =-0.2618 0.4262 0.5002 ( 2948 PWs) bands (ev): -25.9060 -25.9060 -8.7805 -8.7788 -7.6996 -7.6952 -7.6081 -7.6068 -1.0576 -1.0469 0.0259 0.0361 2.5671 2.5728 4.6971 4.7038 5.1328 5.1371 5.3766 5.4249 5.6120 5.6512 5.7028 5.9056 7.1314 7.1729 7.3749 7.3778 8.0812 8.1129 8.5460 8.6154 9.4934 9.5357 10.4567 10.4782 12.2909 12.3405 12.4623 12.5019 k =-0.2547 0.4147 0.4866 ( 2940 PWs) bands (ev): -25.9060 -25.9060 -8.7801 -8.7789 -7.6988 -7.6954 -7.6077 -7.6067 -1.0639 -1.0538 0.0195 0.0297 2.5929 2.6000 4.7011 4.7085 5.1121 5.1223 5.4078 5.4323 5.6390 5.6581 5.7365 5.9141 7.0508 7.0985 7.4212 7.4232 8.1042 8.1380 8.4652 8.5306 9.4146 9.4571 10.4587 10.4782 12.3040 12.3526 12.5038 12.5464 k =-0.2476 0.4032 0.4731 ( 2948 PWs) bands (ev): -25.9060 -25.9060 -8.7796 -8.7788 -7.6978 -7.6954 -7.6073 -7.6066 -1.0821 -1.0728 0.0285 0.0386 2.6153 2.6239 4.7048 4.7130 5.0908 5.1048 5.4388 5.4425 5.6623 5.6699 5.7757 5.9226 6.9745 7.0292 7.4655 7.4718 8.1195 8.1586 8.3927 8.4513 9.3397 9.3820 10.4660 10.4834 12.3179 12.3657 12.5379 12.5838 k =-0.2406 0.3916 0.4596 ( 2949 PWs) bands (ev): -25.9060 -25.9060 -8.7791 -8.7787 -7.6967 -7.6951 -7.6069 -7.6065 -1.1114 -1.1030 0.0522 0.0619 2.6343 2.6444 4.7079 4.7171 5.0694 5.0853 5.4550 5.4693 5.6658 5.7051 5.8183 5.9312 6.9033 6.9656 7.5097 7.5202 8.1200 8.1700 8.3354 8.3817 9.2691 9.3108 10.4788 10.4940 12.3330 12.3804 12.5626 12.6115 k =-0.2335 0.3801 0.4461 ( 2953 PWs) bands (ev): -25.9060 -25.9060 -8.7784 -8.7784 -7.6953 -7.6947 -7.6065 -7.6064 -1.1501 -1.1427 0.0887 0.0981 2.6499 2.6614 4.7101 4.7204 5.0479 5.0643 5.4693 5.4989 5.6692 5.7445 5.8635 5.9397 6.8377 6.9082 7.5534 7.5679 8.0967 8.1623 8.3023 8.3315 9.2032 9.2440 10.4972 10.5102 12.3494 12.3967 12.5755 12.6267 k =-0.2264 0.3686 0.4326 ( 2953 PWs) bands (ev): -25.9061 -25.9061 -8.7781 -8.7776 -7.6941 -7.6937 -7.6062 -7.6061 -1.1965 -1.1901 0.1364 0.1454 2.6620 2.6749 4.7110 4.7227 5.0265 5.0424 5.4850 5.5273 5.6727 5.7882 5.9109 5.9482 6.7780 6.8575 7.5958 7.6141 8.0502 8.1262 8.2926 8.3101 9.1427 9.1820 10.5213 10.5319 12.3673 12.4149 12.5747 12.6273 k =-0.2193 0.3571 0.4191 ( 2957 PWs) bands (ev): -25.9061 -25.9061 -8.7777 -8.7768 -7.6933 -7.6919 -7.6061 -7.6056 -1.2485 -1.2431 0.1932 0.2019 2.6708 2.6850 4.7103 4.7235 5.0054 5.0198 5.5019 5.5544 5.6762 5.8356 5.9566 5.9597 6.7247 6.8140 7.6361 7.6578 7.9917 8.0706 8.2951 8.3088 9.0883 9.1254 10.5510 10.5592 12.3864 12.4352 12.5596 12.6133 k =-0.2123 0.3456 0.4055 ( 2953 PWs) bands (ev): -25.9062 -25.9062 -8.7772 -8.7759 -7.6922 -7.6900 -7.6060 -7.6052 -1.3047 -1.3001 0.2575 0.2659 2.6764 2.6917 4.7079 4.7227 4.9845 4.9968 5.5195 5.5800 5.6802 5.8849 5.9661 6.0091 6.6784 6.7787 7.6733 7.6974 7.9299 8.0095 8.3014 8.3145 9.0406 9.0751 10.5862 10.5919 12.4058 12.4575 12.5308 12.5866 k =-0.2052 0.3340 0.3920 ( 2953 PWs) bands (ev): -25.9063 -25.9063 -8.7766 -8.7749 -7.6910 -7.6879 -7.6058 -7.6048 -1.3636 -1.3598 0.3279 0.3362 2.6788 2.6952 4.7038 4.7201 4.9638 4.9737 5.5377 5.6044 5.6846 5.9305 5.9809 6.0576 6.6394 6.7525 7.7060 7.7299 7.8695 7.9510 8.3076 8.3210 9.0006 9.0319 10.6266 10.6297 12.4225 12.4802 12.4918 12.5527 k =-0.1981 0.3225 0.3785 ( 2953 PWs) bands (ev): -25.9063 -25.9063 -8.7759 -8.7738 -7.6896 -7.6856 -7.6057 -7.6044 -1.4242 -1.4212 0.4034 0.4117 2.6785 2.6957 4.6979 4.7155 4.9432 4.9506 5.5561 5.6275 5.6897 5.9577 6.0144 6.1032 6.6086 6.7366 7.7314 7.7491 7.8146 7.9032 8.3119 8.3259 8.9692 8.9967 10.6719 10.6722 12.4244 12.4389 12.5094 12.5260 k =-0.1910 0.3110 0.3650 ( 2961 PWs) bands (ev): -25.9064 -25.9064 -8.7751 -8.7727 -7.6881 -7.6832 -7.6055 -7.6040 -1.4856 -1.4832 0.4830 0.4913 2.6754 2.6934 4.6903 4.7089 4.9228 4.9277 5.5747 5.6495 5.6955 5.9688 6.0618 6.1438 6.5868 6.7325 7.7339 7.7430 7.7814 7.8784 8.3134 8.3282 8.9473 8.9705 10.7187 10.7214 12.3816 12.3930 12.5278 12.5381 k =-0.1840 0.2995 0.3515 ( 2961 PWs) bands (ev): -25.9066 -25.9066 -8.7743 -8.7715 -7.6863 -7.6807 -7.6053 -7.6035 -1.5472 -1.5454 0.5660 0.5744 2.6700 2.6885 4.6813 4.7004 4.9024 4.9052 5.5932 5.6704 5.7024 5.9755 6.1091 6.1770 6.5751 6.7409 7.6985 7.7120 7.7856 7.8768 8.3117 8.3274 8.9354 8.9542 10.7682 10.7742 12.3198 12.3384 12.5500 12.5677 k =-0.1769 0.2880 0.3380 ( 2953 PWs) bands (ev): -25.9067 -25.9067 -8.7733 -8.7703 -7.6845 -7.6782 -7.6050 -7.6030 -1.6085 -1.6072 0.6519 0.6604 2.6625 2.6814 4.6710 4.6901 4.8820 4.8832 5.6118 5.6906 5.7105 5.9807 6.1504 6.2014 6.5741 6.7613 7.6608 7.6727 7.7929 7.8825 8.3065 8.3233 8.9340 8.9485 10.8195 10.8292 12.2558 12.2749 12.5730 12.5790 k =-0.1698 0.2764 0.3244 ( 2953 PWs) bands (ev): -25.9068 -25.9068 -8.7724 -8.7691 -7.6825 -7.6756 -7.6046 -7.6025 -1.6690 -1.6682 0.7401 0.7488 2.6531 2.6722 4.6597 4.6781 4.8610 4.8624 5.6300 5.7098 5.7199 5.9853 6.1830 6.2168 6.5832 6.7912 7.6313 7.6364 7.7948 7.8862 8.2976 8.3156 8.9432 8.9536 10.8706 10.8844 12.1923 12.2083 12.4716 12.4997 k =-0.1627 0.2649 0.3109 ( 2957 PWs) bands (ev): -25.9069 -25.9069 -8.7713 -8.7678 -7.6804 -7.6729 -7.6042 -7.6019 -1.7285 -1.7280 0.8301 0.8390 2.6421 2.6612 4.6477 4.6648 4.8399 4.8422 5.6478 5.7282 5.7308 5.9896 6.2060 6.2244 6.5998 6.8256 7.6095 7.6135 7.7906 7.8849 8.2850 8.3043 8.9623 8.9692 10.9189 10.9373 12.1321 12.1421 12.3586 12.3880 k =-0.1557 0.2534 0.2974 ( 2961 PWs) bands (ev): -25.9071 -25.9071 -8.7702 -8.7665 -7.6783 -7.6703 -7.6037 -7.6013 -1.7865 -1.7864 0.9215 0.9306 2.6296 2.6487 4.6351 4.6504 4.8194 4.8223 5.6652 5.7432 5.7457 5.9939 6.2208 6.2258 6.6194 6.8584 7.5968 7.6102 7.7810 7.8780 8.2685 8.2893 8.9906 8.9947 10.9610 10.9845 12.0789 12.0797 12.2475 12.2811 k =-0.1486 0.2419 0.2839 ( 2967 PWs) bands (ev): -25.9072 -25.9072 -8.7691 -8.7652 -7.6761 -7.6678 -7.6031 -7.6006 -1.8432 -1.8430 1.0139 1.0233 2.6161 2.6350 4.6223 4.6354 4.7995 4.8027 5.6822 5.7572 5.7624 5.9983 6.2228 6.2294 6.6366 6.8829 7.6027 7.6231 7.7673 7.8666 8.2482 8.2707 9.0271 9.0289 10.9924 11.0212 12.0241 12.0365 12.1411 12.1827 k =-0.1415 0.2304 0.2704 ( 2959 PWs) bands (ev): -25.9074 -25.9074 -8.7680 -8.7639 -7.6739 -7.6653 -7.6024 -7.5998 -1.8982 -1.8977 1.1069 1.1166 2.6017 2.6203 4.6096 4.6201 4.7803 4.7836 5.6989 5.7727 5.7783 6.0028 6.2167 6.2341 6.6472 6.8945 7.6295 7.6514 7.7529 7.8523 8.2244 8.2484 9.0704 9.0707 11.0084 11.0418 11.9754 12.0017 12.0491 12.0999 k =-0.1344 0.2189 0.2568 ( 2955 PWs) bands (ev): -25.9075 -25.9075 -8.7668 -8.7626 -7.6717 -7.6629 -7.6015 -7.5989 -1.9511 -1.9505 1.2001 1.2102 2.5866 2.6047 4.5971 4.6048 4.7618 4.7651 5.7152 5.7895 5.7935 6.0073 6.2085 6.2365 6.6490 6.8914 7.6739 7.6816 7.7516 7.8392 8.1972 8.2227 9.1186 9.1194 11.0053 11.0417 11.9214 11.9272 12.0233 12.0505 k =-0.1274 0.2073 0.2433 ( 2961 PWs) bands (ev): -25.9077 -25.9077 -8.7656 -8.7614 -7.6696 -7.6607 -7.6005 -7.5979 -2.0020 -2.0011 1.2932 1.3035 2.5711 2.5887 4.5850 4.5899 4.7441 4.7473 5.7311 5.8074 5.8077 6.0115 6.1989 6.2379 6.6419 6.8752 7.6799 7.7204 7.7963 7.8409 8.1677 8.1940 9.1715 9.1730 10.9821 11.0191 11.8358 11.8513 12.0427 12.0479 k =-0.1203 0.1958 0.2298 ( 2963 PWs) bands (ev): -25.9078 -25.9078 -8.7644 -8.7602 -7.6675 -7.6586 -7.5993 -7.5968 -2.0506 -2.0496 1.3856 1.3962 2.5553 2.5722 4.5735 4.5758 4.7271 4.7302 5.7469 5.8212 5.8263 6.0154 6.1883 6.2391 6.6271 6.8490 7.6595 7.7352 7.8696 7.8866 8.1382 8.1636 9.2281 9.2300 10.9413 10.9765 11.7460 11.7734 12.0817 12.0867 k =-0.1132 0.1843 0.2163 ( 2963 PWs) bands (ev): -25.9079 -25.9079 -8.7632 -8.7590 -7.6656 -7.6568 -7.5979 -7.5956 -2.0969 -2.0958 1.4770 1.4879 2.5395 2.5557 4.5622 4.5636 4.7110 4.7141 5.7624 5.8338 5.8461 6.0184 6.1773 6.2408 6.6064 6.8160 7.6347 7.7217 7.9457 7.9645 8.1186 8.1371 9.2875 9.2896 10.8874 10.9192 11.6589 11.6940 12.1407 12.1504 k =-0.1061 0.1728 0.2028 ( 2967 PWs) bands (ev): -25.9081 -25.9081 -8.7620 -8.7579 -7.6637 -7.6552 -7.5964 -7.5943 -2.1408 -2.1396 1.5668 1.5779 2.5238 2.5392 4.5506 4.5539 4.6956 4.6990 5.7776 5.8455 5.8664 6.0202 6.1661 6.2433 6.5815 6.7786 7.6088 7.6994 7.9820 8.0201 8.1468 8.1472 9.3488 9.3510 10.8251 10.8529 11.5738 11.6145 12.2177 12.2294 k =-0.0991 0.1613 0.1893 ( 2969 PWs) bands (ev): -25.9082 -25.9082 -8.7609 -8.7568 -7.6619 -7.6537 -7.5948 -7.5929 -2.1822 -2.1809 1.6547 1.6660 2.5085 2.5230 4.5404 4.5457 4.6812 4.6851 5.7925 5.8564 5.8870 6.0205 6.1550 6.2470 6.5542 6.7385 7.5826 7.6744 7.9618 8.0059 8.2339 8.2372 9.4110 9.4132 10.7587 10.7824 11.4900 11.5350 12.3076 12.3200 k =-0.0920 0.1497 0.1757 ( 2961 PWs) bands (ev): -25.9084 -25.9084 -8.7597 -8.7558 -7.6603 -7.6525 -7.5931 -7.5914 -2.2209 -2.2196 1.7400 1.7514 2.4935 2.5072 4.5320 4.5389 4.6676 4.6723 5.8071 5.8665 5.9075 6.0188 6.1445 6.2521 6.5260 6.6973 7.5569 7.6488 7.9215 7.9660 8.3500 8.3521 9.4736 9.4756 10.6916 10.7113 11.4070 11.4551 12.4069 12.4193 k =-0.0849 0.1382 0.1622 ( 2965 PWs) bands (ev): -25.9085 -25.9085 -8.7586 -8.7548 -7.6588 -7.6515 -7.5913 -7.5899 -2.2571 -2.2558 1.8222 1.8337 2.4792 2.4919 4.5255 4.5334 4.6549 4.6607 5.8209 5.8756 5.9273 6.0148 6.1352 6.2586 6.4978 6.6557 7.5320 7.6232 7.8745 7.9189 8.4757 8.4770 9.5356 9.5375 10.6259 10.6421 11.3239 11.3744 12.5128 12.5249 k =-0.0778 0.1267 0.1487 ( 2961 PWs) bands (ev): -25.9086 -25.9086 -8.7576 -8.7540 -7.6575 -7.6507 -7.5895 -7.5883 -2.2906 -2.2893 1.9008 1.9122 2.4656 2.4773 4.5211 4.5294 4.6432 4.6504 5.8342 5.8839 5.9454 6.0086 6.1281 6.2663 6.4706 6.6147 7.5082 7.5985 7.8248 7.8684 8.6064 8.6076 9.5964 9.5982 10.5634 10.5765 11.2402 11.2923 12.6235 12.6352 k =-0.0708 0.1152 0.1352 ( 2981 PWs) bands (ev): -25.9088 -25.9088 -8.7565 -8.7532 -7.6563 -7.6501 -7.5876 -7.5867 -2.3213 -2.3200 1.9752 1.9864 2.4528 2.4634 4.5186 4.5268 4.6324 4.6413 5.8466 5.8911 5.9602 6.0002 6.1245 6.2749 6.4450 6.5748 7.4856 7.5746 7.7741 7.8161 8.7402 8.7420 9.6554 9.6570 10.5052 10.5156 11.1553 11.2083 12.7371 12.7485 k =-0.0637 0.1037 0.1217 ( 2979 PWs) bands (ev): -25.9089 -25.9089 -8.7556 -8.7525 -7.6552 -7.6496 -7.5858 -7.5851 -2.3492 -2.3480 2.0448 2.0557 2.4410 2.4506 4.5181 4.5255 4.6227 4.6336 5.8583 5.8976 5.9702 5.9899 6.1261 6.2839 6.4219 6.5369 7.4644 7.5520 7.7240 7.7633 8.8758 8.8789 9.7119 9.7133 10.4521 10.4602 11.0686 11.1217 12.8523 12.8633 k =-0.0566 0.0921 0.1081 ( 2979 PWs) bands (ev): -25.9090 -25.9090 -8.7547 -8.7519 -7.6542 -7.6493 -7.5841 -7.5836 -2.3742 -2.3731 2.1089 2.1194 2.4303 2.4388 4.5195 4.5254 4.6142 4.6272 5.8691 5.9031 5.9740 5.9780 6.1340 6.2927 6.4016 6.5013 7.4448 7.5308 7.6759 7.7109 9.0123 9.0172 9.7652 9.7664 10.4044 10.4107 10.9796 11.0322 12.9675 12.9781 k =-0.0495 0.0806 0.0946 ( 2979 PWs) bands (ev): -25.9091 -25.9091 -8.7539 -8.7513 -7.6534 -7.6490 -7.5825 -7.5822 -2.3964 -2.3954 2.1671 2.1769 2.4208 2.4281 4.5222 4.5262 4.6069 4.6220 5.8789 5.9078 5.9653 5.9718 6.1480 6.3005 6.3844 6.4686 7.4267 7.5110 7.6310 7.6602 9.1488 9.1558 9.8147 9.8157 10.3625 10.3673 10.8878 10.9393 13.0809 13.0911 k =-0.0425 0.0691 0.0811 ( 2983 PWs) bands (ev): -25.9091 -25.9091 -8.7531 -8.7509 -7.6526 -7.6489 -7.5811 -7.5809 -2.4157 -2.4148 2.2188 2.2278 2.4125 2.4187 4.5258 4.5277 4.6011 4.6179 5.8876 5.9116 5.9525 5.9650 6.1665 6.3066 6.3706 6.4393 7.4103 7.4924 7.5907 7.6125 9.2842 9.2937 9.8599 9.8607 10.3263 10.3300 10.7932 10.8428 13.1901 13.1998 k =-0.0354 0.0576 0.0676 ( 2975 PWs) bands (ev): -25.9092 -25.9092 -8.7524 -8.7506 -7.6519 -7.6489 -7.5798 -7.5797 -2.4321 -2.4313 2.2635 2.2715 2.4056 2.4106 4.5288 4.5307 4.5969 4.6148 5.8952 5.9145 5.9404 5.9556 6.1877 6.3102 6.3603 6.4137 7.3961 7.4745 7.5561 7.5697 9.4174 9.4296 9.9004 9.9012 10.2959 10.2988 10.6955 10.7425 13.2920 13.3009 k =-0.0283 0.0461 0.0541 ( 2983 PWs) bands (ev): -25.9093 -25.9093 -8.7518 -8.7503 -7.6514 -7.6489 -7.5788 -7.5787 -2.4455 -2.4448 2.3006 2.3075 2.4001 2.4039 4.5308 4.5342 4.5947 4.6122 5.9017 5.9163 5.9300 5.9450 6.2099 6.3109 6.3531 6.3920 7.3845 7.4562 7.5278 7.5337 9.5465 9.5612 9.9363 9.9374 10.2712 10.2736 10.5950 10.6388 13.3818 13.3894 k =-0.0212 0.0346 0.0406 ( 2983 PWs) bands (ev): -25.9093 -25.9093 -8.7513 -8.7502 -7.6509 -7.6490 -7.5779 -7.5779 -2.4559 -2.4554 2.3298 2.3353 2.3962 2.3989 4.5328 4.5368 4.5944 4.6099 5.9070 5.9159 5.9232 5.9346 6.2320 6.3089 6.3482 6.3743 7.3766 7.4367 7.5061 7.5070 9.6682 9.6847 9.9689 9.9711 10.2519 10.2543 10.4929 10.5324 13.4538 13.4596 k =-0.0142 0.0230 0.0270 ( 2983 PWs) bands (ev): -25.9093 -25.9093 -8.7509 -8.7501 -7.6504 -7.6492 -7.5773 -7.5773 -2.4633 -2.4630 2.3505 2.3546 2.3942 2.3957 4.5346 4.5382 4.5960 4.6075 5.9108 5.9129 5.9210 5.9258 6.2527 6.3044 6.3450 6.3607 7.3732 7.4164 7.4899 7.4912 9.7752 9.7906 10.0025 10.0079 10.2375 10.2406 10.3922 10.4257 13.5052 13.5088 k =-0.0071 0.0115 0.0135 ( 2985 PWs) bands (ev): -25.9094 -25.9094 -8.7506 -8.7502 -7.6500 -7.6494 -7.5770 -7.5769 -2.4677 -2.4676 2.3627 2.3649 2.3938 2.3945 4.5363 4.5383 4.5987 4.6048 5.9107 5.9126 5.9199 5.9205 6.2710 6.2971 6.3437 6.3511 7.3755 7.3979 7.4810 7.4821 9.8513 9.8603 10.0457 10.0562 10.2265 10.2314 10.3039 10.3262 13.5393 13.5411 k = 0.0000 0.0000 0.0000 ( 2987 PWs) bands (ev): -25.9094 -25.9094 -8.7503 -8.7503 -7.6497 -7.6497 -7.5768 -7.5768 -2.4692 -2.4692 2.3673 2.3673 2.3942 2.3942 4.5375 4.5375 4.6018 4.6018 5.9112 5.9112 5.9195 5.9195 6.2860 6.2860 6.3456 6.3456 7.3838 7.3838 7.4787 7.4787 9.8803 9.8803 10.0847 10.0847 10.2217 10.2217 10.2690 10.2690 13.5622 13.5622 k = 0.0000 0.0000 0.0000 ( 2987 PWs) bands (ev): -25.9094 -25.9094 -8.7503 -8.7503 -7.6497 -7.6497 -7.5768 -7.5768 -2.4692 -2.4692 2.3673 2.3673 2.3942 2.3942 4.5375 4.5375 4.6018 4.6018 5.9112 5.9112 5.9195 5.9195 6.2860 6.2860 6.3456 6.3456 7.3838 7.3838 7.4787 7.4787 9.8803 9.8803 10.0847 10.0847 10.2217 10.2217 10.2690 10.2690 13.5622 13.5622 k = 0.0161 0.0099 0.0000 ( 2987 PWs) bands (ev): -25.9094 -25.9094 -8.7504 -8.7504 -7.6498 -7.6498 -7.5768 -7.5768 -2.4681 -2.4681 2.3669 2.3669 2.3911 2.3911 4.5382 4.5382 4.6025 4.6025 5.8950 5.8950 5.9196 5.9196 6.3068 6.3068 6.3467 6.3467 7.3815 7.3815 7.4764 7.4764 9.8841 9.8841 10.0883 10.0883 10.2206 10.2206 10.2704 10.2704 13.5539 13.5539 k = 0.0323 0.0198 0.0000 ( 2983 PWs) bands (ev): -25.9094 -25.9094 -8.7505 -8.7505 -7.6501 -7.6501 -7.5769 -7.5769 -2.4649 -2.4649 2.3656 2.3656 2.3819 2.3819 4.5401 4.5401 4.6046 4.6046 5.8542 5.8542 5.9199 5.9199 6.3500 6.3500 6.3613 6.3613 7.3747 7.3747 7.4696 7.4696 9.8954 9.8954 10.0993 10.0993 10.2171 10.2171 10.2745 10.2745 13.5298 13.5298 k = 0.0484 0.0297 0.0000 ( 2975 PWs) bands (ev): -25.9094 -25.9094 -8.7507 -8.7507 -7.6506 -7.6506 -7.5769 -7.5769 -2.4595 -2.4595 2.3635 2.3635 2.3668 2.3668 4.5433 4.5433 4.6081 4.6081 5.8018 5.8018 5.9205 5.9205 6.3555 6.3555 6.4366 6.4366 7.3635 7.3635 7.4585 7.4585 9.9139 9.9139 10.1173 10.1173 10.2115 10.2115 10.2813 10.2813 13.4917 13.4917 k = 0.0645 0.0396 0.0000 ( 2967 PWs) bands (ev): -25.9094 -25.9094 -8.7509 -8.7509 -7.6513 -7.6513 -7.5769 -7.5769 -2.4521 -2.4521 2.3459 2.3459 2.3607 2.3607 4.5477 4.5477 4.6130 4.6130 5.7455 5.7455 5.9213 5.9213 6.3631 6.3631 6.5242 6.5242 7.3485 7.3485 7.4432 7.4432 9.9394 9.9394 10.1421 10.1421 10.2041 10.2041 10.2909 10.2909 13.4418 13.4418 k = 0.0806 0.0495 0.0000 ( 2967 PWs) bands (ev): -25.9094 -25.9094 -8.7513 -8.7513 -7.6521 -7.6521 -7.5770 -7.5770 -2.4426 -2.4426 2.3196 2.3196 2.3570 2.3570 4.5532 4.5532 4.6192 4.6192 5.6889 5.6889 5.9223 5.9223 6.3727 6.3727 6.6201 6.6201 7.3298 7.3298 7.4241 7.4241 9.9714 9.9714 10.1734 10.1734 10.1955 10.1955 10.3033 10.3033 13.3829 13.3829 k = 0.0968 0.0594 0.0000 ( 2979 PWs) bands (ev): -25.9094 -25.9094 -8.7517 -8.7517 -7.6531 -7.6531 -7.5771 -7.5771 -2.4311 -2.4311 2.2882 2.2882 2.3527 2.3527 4.5598 4.5598 4.6266 4.6266 5.6339 5.6339 5.9233 5.9233 6.3843 6.3843 6.7217 6.7217 7.3084 7.3084 7.4013 7.4013 10.0089 10.0089 10.1864 10.1864 10.2107 10.2107 10.3187 10.3187 13.3174 13.3174 k = 0.1129 0.0694 0.0000 ( 2971 PWs) bands (ev): -25.9093 -25.9093 -8.7521 -8.7521 -7.6543 -7.6543 -7.5772 -7.5772 -2.4178 -2.4178 2.2524 2.2524 2.3477 2.3477 4.5677 4.5677 4.6353 4.6353 5.5811 5.5811 5.9246 5.9246 6.3977 6.3977 6.8269 6.8269 7.2856 7.2856 7.3756 7.3756 10.0506 10.0506 10.1783 10.1783 10.2532 10.2532 10.3373 10.3373 13.2475 13.2475 k = 0.1290 0.0793 0.0000 ( 2971 PWs) bands (ev): -25.9093 -25.9093 -8.7527 -8.7527 -7.6557 -7.6557 -7.5773 -7.5773 -2.4026 -2.4026 2.2124 2.2124 2.3421 2.3421 4.5766 4.5766 4.6452 4.6452 5.5309 5.5309 5.9260 5.9260 6.4129 6.4129 6.9324 6.9324 7.2640 7.2640 7.3472 7.3472 10.0921 10.0921 10.1755 10.1755 10.3000 10.3000 10.3596 10.3596 13.1748 13.1748 k = 0.1452 0.0892 0.0000 ( 2971 PWs) bands (ev): -25.9093 -25.9093 -8.7533 -8.7533 -7.6571 -7.6571 -7.5774 -7.5774 -2.3858 -2.3858 2.1689 2.1689 2.3360 2.3360 4.5864 4.5864 4.6563 4.6563 5.4835 5.4835 5.9275 5.9275 6.4296 6.4296 7.0297 7.0297 7.2520 7.2520 7.3164 7.3164 10.1188 10.1188 10.1927 10.1927 10.3489 10.3489 10.3872 10.3872 13.1010 13.1010 k = 0.1613 0.0991 0.0000 ( 2963 PWs) bands (ev): -25.9093 -25.9093 -8.7539 -8.7539 -7.6587 -7.6587 -7.5775 -7.5775 -2.3674 -2.3674 2.1223 2.1223 2.3294 2.3294 4.5971 4.5971 4.6684 4.6684 5.4387 5.4387 5.9291 5.9291 6.4477 6.4477 7.0917 7.0917 7.2761 7.2761 7.2840 7.2840 10.1227 10.1227 10.2379 10.2379 10.3931 10.3931 10.4266 10.4266 13.0271 13.0271 k = 0.1774 0.1090 0.0000 ( 2963 PWs) bands (ev): -25.9093 -25.9093 -8.7546 -8.7546 -7.6604 -7.6604 -7.5777 -7.5777 -2.3476 -2.3476 2.0733 2.0733 2.3225 2.3225 4.6086 4.6086 4.6814 4.6814 5.3967 5.3967 5.9307 5.9307 6.4669 6.4669 7.0971 7.0971 7.2499 7.2499 7.3576 7.3576 10.1191 10.1191 10.2959 10.2959 10.4293 10.4293 10.4803 10.4803 12.9543 12.9543 k = 0.1935 0.1189 0.0000 ( 2971 PWs) bands (ev): -25.9093 -25.9093 -8.7553 -8.7553 -7.6621 -7.6621 -7.5778 -7.5778 -2.3265 -2.3265 2.0224 2.0224 2.3152 2.3152 4.6207 4.6207 4.6953 4.6953 5.3572 5.3572 5.9323 5.9323 6.4871 6.4871 7.0750 7.0750 7.2148 7.2148 7.4669 7.4669 10.1153 10.1153 10.3594 10.3594 10.4644 10.4644 10.5410 10.5410 12.8833 12.8833 k = 0.2097 0.1288 0.0000 ( 2967 PWs) bands (ev): -25.9093 -25.9093 -8.7560 -8.7560 -7.6639 -7.6639 -7.5779 -7.5779 -2.3043 -2.3043 1.9701 1.9701 2.3078 2.3078 4.6334 4.6334 4.7100 4.7100 5.3203 5.3203 5.9338 5.9338 6.5080 6.5080 7.0442 7.0442 7.1791 7.1791 7.5849 7.5849 10.1137 10.1137 10.4262 10.4262 10.5016 10.5016 10.6050 10.6050 12.8150 12.8150 k = 0.2258 0.1387 0.0000 ( 2963 PWs) bands (ev): -25.9093 -25.9093 -8.7568 -8.7568 -7.6658 -7.6658 -7.5781 -7.5781 -2.2812 -2.2812 1.9169 1.9169 2.3001 2.3001 4.6465 4.6465 4.7254 4.7254 5.2860 5.2860 5.9354 5.9354 6.5295 6.5295 7.0100 7.0100 7.1432 7.1432 7.7055 7.7055 10.1156 10.1156 10.4952 10.4952 10.5416 10.5416 10.6707 10.6707 12.7499 12.7499 k = 0.2419 0.1486 0.0000 ( 2964 PWs) bands (ev): -25.9092 -25.9092 -8.7575 -8.7575 -7.6677 -7.6677 -7.5782 -7.5782 -2.2574 -2.2574 1.8635 1.8635 2.2925 2.2925 4.6598 4.6598 4.7413 4.7413 5.2539 5.2539 5.9370 5.9370 6.5511 6.5511 6.9744 6.9744 7.1073 7.1073 7.8262 7.8262 10.1220 10.1220 10.5653 10.5653 10.5848 10.5848 10.7372 10.7372 12.6887 12.6887 k = 0.2581 0.1585 0.0000 ( 2960 PWs) bands (ev): -25.9092 -25.9092 -8.7583 -8.7583 -7.6695 -7.6695 -7.5784 -7.5784 -2.2331 -2.2331 1.8102 1.8102 2.2848 2.2848 4.6732 4.6732 4.7576 4.7576 5.2244 5.2244 5.9386 5.9386 6.5727 6.5727 6.9384 6.9384 7.0719 7.0719 7.9453 7.9453 10.1338 10.1338 10.6312 10.6312 10.6359 10.6359 10.8037 10.8037 12.6319 12.6319 k = 0.2742 0.1684 0.0000 ( 2956 PWs) bands (ev): -25.9092 -25.9092 -8.7591 -8.7591 -7.6714 -7.6714 -7.5785 -7.5785 -2.2086 -2.2086 1.7575 1.7575 2.2773 2.2773 4.6865 4.6865 4.7741 4.7741 5.1972 5.1972 5.9400 5.9400 6.5940 6.5940 6.9026 6.9026 7.0374 7.0374 8.0612 8.0612 10.1519 10.1519 10.6810 10.6810 10.7061 10.7061 10.8692 10.8692 12.5801 12.5801 k = 0.2903 0.1783 0.0000 ( 2952 PWs) bands (ev): -25.9092 -25.9092 -8.7598 -8.7598 -7.6732 -7.6732 -7.5787 -7.5787 -2.1841 -2.1841 1.7060 1.7060 2.2699 2.2699 4.6994 4.6994 4.7907 4.7907 5.1724 5.1724 5.9415 5.9415 6.6145 6.6145 6.8674 6.8674 7.0040 7.0040 8.1725 8.1725 10.1772 10.1772 10.7342 10.7342 10.7750 10.7750 10.9330 10.9330 12.5338 12.5338 k = 0.3065 0.1882 0.0000 ( 2944 PWs) bands (ev): -25.9092 -25.9092 -8.7606 -8.7606 -7.6750 -7.6750 -7.5788 -7.5788 -2.1598 -2.1598 1.6562 1.6562 2.2627 2.2627 4.7117 4.7117 4.8073 4.8073 5.1502 5.1502 5.9428 5.9428 6.6341 6.6341 6.8333 6.8333 6.9723 6.9723 8.2780 8.2780 10.2104 10.2104 10.7908 10.7908 10.8419 10.8419 10.9940 10.9940 12.4933 12.4933 k = 0.3226 0.1981 0.0000 ( 2920 PWs) bands (ev): -25.9092 -25.9092 -8.7613 -8.7613 -7.6767 -7.6767 -7.5790 -7.5790 -2.1360 -2.1360 1.6083 1.6083 2.2560 2.2560 4.7233 4.7233 4.8236 4.8236 5.1305 5.1305 5.9442 5.9442 6.6523 6.6523 6.8005 6.8005 6.9427 6.9427 8.3761 8.3761 10.2522 10.2522 10.8507 10.8507 10.9057 10.9057 11.0514 11.0514 12.4592 12.4592 k = 0.3387 0.2081 0.0000 ( 2912 PWs) bands (ev): -25.9092 -25.9092 -8.7619 -8.7619 -7.6783 -7.6783 -7.5791 -7.5791 -2.1130 -2.1130 1.5629 1.5629 2.2495 2.2495 4.7338 4.7338 4.8394 4.8394 5.1133 5.1133 5.9455 5.9455 6.6685 6.6685 6.7693 6.7693 6.9155 6.9155 8.4659 8.4659 10.3027 10.3027 10.9137 10.9137 10.9656 10.9656 11.1044 11.1044 12.4317 12.4317 k = 0.3548 0.2180 0.0000 ( 2904 PWs) bands (ev): -25.9091 -25.9091 -8.7626 -8.7626 -7.6798 -7.6798 -7.5792 -7.5792 -2.0910 -2.0910 1.5204 1.5204 2.2435 2.2435 4.7431 4.7431 4.8545 4.8545 5.0987 5.0987 5.9466 5.9466 6.6823 6.6823 6.7401 6.7401 6.8916 6.8916 8.5465 8.5465 10.3619 10.3619 10.9797 10.9797 11.0208 11.0208 11.1523 11.1523 12.4109 12.4109 k = 0.3710 0.2279 0.0000 ( 2912 PWs) bands (ev): -25.9091 -25.9091 -8.7632 -8.7632 -7.6812 -7.6812 -7.5793 -7.5793 -2.0705 -2.0705 1.4811 1.4811 2.2380 2.2380 4.7511 4.7511 4.8687 4.8687 5.0864 5.0864 5.9476 5.9476 6.6930 6.6930 6.7131 6.7131 6.8715 6.8715 8.6174 8.6174 10.4289 10.4289 11.0481 11.0481 11.0706 11.0706 11.1946 11.1946 12.3966 12.3966 k = 0.3871 0.2378 0.0000 ( 2916 PWs) bands (ev): -25.9091 -25.9091 -8.7637 -8.7637 -7.6824 -7.6824 -7.5794 -7.5794 -2.0515 -2.0515 1.4455 1.4455 2.2330 2.2330 4.7577 4.7577 4.8819 4.8819 5.0766 5.0766 5.9485 5.9485 6.6883 6.6883 6.7001 6.7001 6.8560 6.8560 8.6783 8.6783 10.5024 10.5024 11.1142 11.1142 11.1184 11.1184 11.2312 11.2312 12.3884 12.3884 k = 0.4032 0.2477 0.0000 ( 2904 PWs) bands (ev): -25.9091 -25.9091 -8.7642 -8.7642 -7.6835 -7.6835 -7.5795 -7.5795 -2.0345 -2.0345 1.4139 1.4139 2.2285 2.2285 4.7630 4.7630 4.8938 4.8938 5.0691 5.0691 5.9493 5.9493 6.6665 6.6665 6.7030 6.7030 6.8454 6.8454 8.7295 8.7295 10.5802 10.5802 11.1517 11.1517 11.1889 11.1889 11.2627 11.2627 12.3854 12.3854 k = 0.4194 0.2576 0.0000 ( 2892 PWs) bands (ev): -25.9091 -25.9091 -8.7646 -8.7646 -7.6845 -7.6845 -7.5796 -7.5796 -2.0195 -2.0195 1.3865 1.3865 2.2247 2.2247 4.7671 4.7671 4.9043 4.9043 5.0634 5.0634 5.9500 5.9500 6.6476 6.6476 6.7025 6.7025 6.8394 6.8394 8.7714 8.7714 10.6592 10.6592 11.1827 11.1827 11.2545 11.2545 11.2934 11.2934 12.3859 12.3859 k = 0.4355 0.2675 0.0000 ( 2892 PWs) bands (ev): -25.9091 -25.9091 -8.7649 -8.7649 -7.6853 -7.6853 -7.5797 -7.5797 -2.0070 -2.0070 1.3638 1.3638 2.2216 2.2216 4.7699 4.7699 4.9131 4.9131 5.0594 5.0594 5.9506 5.9506 6.6318 6.6318 6.6994 6.6994 6.8370 6.8370 8.8046 8.8046 10.7354 10.7354 11.2075 11.2075 11.2938 11.2938 11.3430 11.3430 12.3869 12.3869 k = 0.4516 0.2774 0.0000 ( 2908 PWs) bands (ev): -25.9091 -25.9091 -8.7652 -8.7652 -7.6859 -7.6859 -7.5797 -7.5797 -1.9970 -1.9970 1.3458 1.3458 2.2191 2.2191 4.7719 4.7719 4.9201 4.9201 5.0567 5.0567 5.9509 5.9509 6.6193 6.6193 6.6953 6.6953 6.8365 6.8365 8.8296 8.8296 10.8040 10.8040 11.2263 11.2263 11.3114 11.3114 11.4039 11.4039 12.3799 12.3799 k = 0.4677 0.2873 0.0000 ( 2904 PWs) bands (ev): -25.9091 -25.9091 -8.7654 -8.7654 -7.6864 -7.6864 -7.5797 -7.5797 -1.9897 -1.9897 1.3328 1.3328 2.2173 2.2173 4.7731 4.7731 4.9252 4.9252 5.0550 5.0550 5.9512 5.9512 6.6103 6.6103 6.6916 6.6916 6.8371 6.8371 8.8470 8.8470 10.8592 10.8592 11.2396 11.2396 11.3220 11.3220 11.4574 11.4574 12.3510 12.3510 k = 0.4839 0.2972 0.0000 ( 2920 PWs) bands (ev): -25.9091 -25.9091 -8.7655 -8.7655 -7.6866 -7.6866 -7.5798 -7.5798 -1.9854 -1.9854 1.3249 1.3249 2.2162 2.2162 4.7737 4.7737 4.9283 4.9283 5.0541 5.0541 5.9513 5.9513 6.6047 6.6047 6.6889 6.6889 6.8377 6.8377 8.8573 8.8573 10.8954 10.8954 11.2475 11.2475 11.3279 11.3279 11.4945 11.4945 12.3212 12.3212 k = 0.5000 0.3071 0.0000 ( 2908 PWs) bands (ev): -25.9091 -25.9091 -8.7655 -8.7655 -7.6867 -7.6867 -7.5798 -7.5798 -1.9839 -1.9839 1.3223 1.3223 2.2158 2.2158 4.7740 4.7740 4.9293 4.9293 5.0539 5.0539 5.9515 5.9515 6.6029 6.6029 6.6880 6.6880 6.8380 6.8380 8.8607 8.8607 10.9081 10.9081 11.2501 11.2501 11.3298 11.3298 11.5080 11.5080 12.3099 12.3099 k = 0.5000 0.3071 0.0000 ( 2908 PWs) bands (ev): -25.9091 -25.9091 -8.7655 -8.7655 -7.6867 -7.6867 -7.5798 -7.5798 -1.9839 -1.9839 1.3223 1.3223 2.2158 2.2158 4.7740 4.7740 4.9293 4.9293 5.0539 5.0539 5.9515 5.9515 6.6029 6.6029 6.6880 6.6880 6.8380 6.8380 8.8607 8.8607 10.9081 10.9081 11.2501 11.2501 11.3298 11.3298 11.5080 11.5080 12.3099 12.3099 k = 0.4930 0.3185 0.0134 ( 2908 PWs) bands (ev): -25.9091 -25.9091 -8.7658 -8.7653 -7.6871 -7.6863 -7.5799 -7.5799 -1.9831 -1.9825 1.3230 1.3234 2.2126 2.2141 4.7682 4.7801 4.9253 4.9325 5.0458 5.0630 5.9489 5.9517 6.5829 6.5967 6.6542 6.7258 6.8130 6.8833 8.8688 8.8692 10.9058 10.9092 11.2186 11.2206 11.3037 11.3190 11.5351 11.5579 12.2983 12.3095 k = 0.4860 0.3299 0.0267 ( 2906 PWs) bands (ev): -25.9091 -25.9091 -8.7661 -8.7652 -7.6875 -7.6859 -7.5802 -7.5802 -1.9800 -1.9789 1.3254 1.3262 2.2046 2.2076 4.7625 4.7864 4.9200 4.9353 5.0391 5.0728 5.9444 5.9495 6.5326 6.5737 6.6440 6.7279 6.8381 6.9335 8.8933 8.8942 10.9018 10.9091 11.1236 11.1324 11.2999 11.3083 11.6007 11.6289 12.2793 12.2964 k = 0.4790 0.3413 0.0401 ( 2902 PWs) bands (ev): -25.9090 -25.9090 -8.7665 -8.7651 -7.6878 -7.6854 -7.5808 -7.5808 -1.9748 -1.9731 1.3294 1.3307 2.1919 2.1963 4.7569 4.7931 4.9131 4.9379 5.0343 5.0830 5.9380 5.9448 6.4722 6.5357 6.6423 6.7171 6.8891 6.9841 8.9339 8.9353 10.8942 10.9075 11.0072 11.0149 11.3071 11.3112 11.6641 11.6931 12.2517 12.2737 k = 0.4720 0.3527 0.0535 ( 2902 PWs) bands (ev): -25.9090 -25.9090 -8.7669 -8.7650 -7.6881 -7.6850 -7.5816 -7.5815 -1.9674 -1.9652 1.3348 1.3366 2.1747 2.1804 4.7514 4.8002 4.9043 4.9408 5.0316 5.0933 5.9299 5.9371 6.4103 6.4876 6.6428 6.7116 6.9432 7.0333 8.9896 8.9915 10.8553 10.8795 10.9109 10.9113 11.3190 11.3204 11.7170 11.7457 12.2159 12.2421 k = 0.4650 0.3641 0.0668 ( 2904 PWs) bands (ev): -25.9089 -25.9089 -8.7673 -8.7651 -7.6884 -7.6845 -7.5825 -7.5824 -1.9578 -1.9550 1.3414 1.3437 2.1531 2.1602 4.7458 4.8078 4.8937 4.9441 5.0310 5.1038 5.9201 5.9262 6.3501 6.4345 6.6446 6.7111 6.9960 7.0802 9.0595 9.0619 10.7344 10.7480 10.8906 10.9030 11.3339 11.3344 11.7585 11.7866 12.1738 12.2025 k = 0.4580 0.3754 0.0802 ( 2914 PWs) bands (ev): -25.9089 -25.9089 -8.7678 -8.7651 -7.6887 -7.6840 -7.5837 -7.5835 -1.9460 -1.9427 1.3488 1.3516 2.1278 2.1362 4.7402 4.8158 4.8817 4.9479 5.0324 5.1143 5.9088 5.9118 6.2928 6.3800 6.6475 6.7137 7.0464 7.1245 9.1421 9.1450 10.6001 10.6100 10.8777 10.8964 11.3509 11.3531 11.7884 11.8170 12.1283 12.1568 k = 0.4510 0.3868 0.0935 ( 2922 PWs) bands (ev): -25.9088 -25.9088 -8.7684 -8.7653 -7.6890 -7.6835 -7.5850 -7.5847 -1.9320 -1.9282 1.3565 1.3598 2.0992 2.1087 4.7346 4.8244 4.8687 4.9524 5.0357 5.1250 5.8938 5.8960 6.2396 6.3261 6.6515 6.7185 7.0941 7.1664 9.2358 9.2393 10.4635 10.4702 10.8626 10.8873 11.3709 11.3748 11.8049 11.8363 12.0829 12.1077 k = 0.4440 0.3982 0.1069 ( 2930 PWs) bands (ev): -25.9087 -25.9087 -8.7689 -8.7655 -7.6893 -7.6830 -7.5865 -7.5861 -1.9158 -1.9115 1.3636 1.3675 2.0682 2.0788 4.7291 4.8331 4.8554 4.9577 5.0405 5.1358 5.8723 5.8819 6.1909 6.2740 6.6568 6.7249 7.1392 7.2059 9.3387 9.3430 10.3262 10.3295 10.8439 10.8750 11.3936 11.3992 11.8042 11.8418 12.0419 12.0594 k = 0.4371 0.4096 0.1203 ( 2926 PWs) bands (ev): -25.9086 -25.9086 -8.7696 -8.7657 -7.6896 -7.6826 -7.5882 -7.5876 -1.8975 -1.8928 1.3693 1.3738 2.0360 2.0476 4.7236 4.8369 4.8475 4.9639 5.0468 5.1468 5.8476 5.8667 6.1470 6.2245 6.6634 6.7325 7.1821 7.2434 9.4480 9.4541 10.1886 10.1898 10.8207 10.8587 11.4182 11.4259 11.7834 11.8292 12.0065 12.0132 k = 0.4301 0.4210 0.1336 ( 2932 PWs) bands (ev): -25.9085 -25.9085 -8.7702 -8.7660 -7.6899 -7.6822 -7.5899 -7.5891 -1.8771 -1.8718 1.3721 1.3772 2.0040 2.0164 4.7183 4.8252 4.8558 4.9710 5.0543 5.1582 5.8200 5.8503 6.1076 6.1779 6.6714 6.7413 7.2228 7.2791 9.5595 9.5702 10.0479 10.0568 10.7926 10.8381 11.4434 11.4540 11.7455 11.7966 11.9358 11.9636 k = 0.4231 0.4324 0.1470 ( 2928 PWs) bands (ev): -25.9084 -25.9084 -8.7708 -8.7664 -7.6903 -7.6818 -7.5917 -7.5907 -1.8545 -1.8488 1.3703 1.3759 1.9742 1.9873 4.7132 4.8116 4.8670 4.9788 5.0629 5.1700 5.7907 5.8330 6.0721 6.1347 6.6809 6.7512 7.2619 7.3135 9.6609 9.6884 9.9077 9.9368 10.7602 10.8130 11.4659 11.4816 11.6993 11.7485 11.8506 11.8908 k = 0.4161 0.4438 0.1604 ( 2942 PWs) bands (ev): -25.9083 -25.9083 -8.7715 -8.7668 -7.6906 -7.6815 -7.5936 -7.5923 -1.8298 -1.8238 1.3619 1.3679 1.9489 1.9623 4.7083 4.7982 4.8791 4.9874 5.0724 5.1821 5.7604 5.8145 6.0396 6.0947 6.6920 6.7622 7.2996 7.3468 9.6898 9.7681 9.8052 9.8883 10.7248 10.7844 11.4773 11.5028 11.6577 11.6933 11.7690 11.8121 k = 0.4091 0.4552 0.1737 ( 2946 PWs) bands (ev): -25.9082 -25.9082 -8.7722 -8.7672 -7.6911 -7.6813 -7.5954 -7.5939 -1.8031 -1.7966 1.3449 1.3510 1.9304 1.9439 4.7037 4.7853 4.8922 4.9968 5.0828 5.1948 5.7302 5.7953 6.0095 6.0584 6.7046 6.7743 7.3362 7.3793 9.5956 9.6299 9.9147 9.9564 10.6903 10.7545 11.4611 11.4999 11.6370 11.6423 11.7050 11.7387 k = 0.4021 0.4665 0.1871 ( 2944 PWs) bands (ev): -25.9080 -25.9080 -8.7729 -8.7678 -7.6915 -7.6811 -7.5973 -7.5955 -1.7743 -1.7675 1.3178 1.3237 1.9205 1.9336 4.6996 4.7731 4.9061 5.0069 5.0939 5.2081 5.7007 5.7752 5.9812 6.0256 6.7189 6.7876 7.3720 7.4112 9.4697 9.4927 10.0098 10.0399 10.6637 10.7278 11.4119 11.4493 11.5960 11.6253 11.6865 11.6935 k = 0.3951 0.4779 0.2005 ( 2942 PWs) bands (ev): -25.9079 -25.9079 -8.7736 -8.7683 -7.6921 -7.6811 -7.5991 -7.5970 -1.7436 -1.7364 1.2800 1.2855 1.9200 1.9324 4.6959 4.7617 4.9210 5.0175 5.1058 5.2221 5.6725 5.7544 5.9539 5.9962 6.7349 6.8020 7.4071 7.4428 9.3384 9.3568 10.0800 10.0989 10.6559 10.7110 11.3421 11.3656 11.5494 11.5849 11.7067 11.7085 k = 0.3881 0.4893 0.2138 ( 2954 PWs) bands (ev): -25.9078 -25.9078 -8.7744 -8.7689 -7.6926 -7.6812 -7.6008 -7.5984 -1.7108 -1.7034 1.2320 1.2370 1.9286 1.9400 4.6926 4.7509 4.9367 5.0285 5.1181 5.2367 5.6459 5.7329 5.9274 5.9702 6.7526 6.8178 7.4418 7.4741 9.2063 9.2225 10.1148 10.1167 10.6751 10.7098 11.2607 11.2688 11.5123 11.5478 11.7425 11.7460 k = 0.3811 0.5007 0.2272 ( 2954 PWs) bands (ev): -25.9076 -25.9076 -8.7751 -8.7695 -7.6933 -7.6814 -7.6025 -7.5998 -1.6763 -1.6685 1.1750 1.1796 1.9451 1.9556 4.6897 4.7410 4.9534 5.0399 5.1310 5.2522 5.6212 5.7111 5.9016 5.9475 6.7721 6.8349 7.4763 7.5053 9.0747 9.0898 10.0928 10.1106 10.7147 10.7224 11.1668 11.1722 11.4921 11.5308 11.7852 11.7896 k = 0.3741 0.5121 0.2405 ( 2950 PWs) bands (ev): -25.9075 -25.9075 -8.7758 -8.7702 -7.6939 -7.6817 -7.6040 -7.6010 -1.6399 -1.6318 1.1106 1.1148 1.9683 1.9778 4.6873 4.7318 4.9711 5.0516 5.1442 5.2686 5.5986 5.6889 5.8764 5.9280 6.7933 6.8534 7.5106 7.5365 8.9441 8.9591 10.0390 10.0733 10.7373 10.7563 11.0624 11.0796 11.4951 11.5394 11.8310 11.8366 k = 0.3671 0.5235 0.2539 ( 2954 PWs) bands (ev): -25.9074 -25.9073 -8.7765 -8.7709 -7.6947 -7.6822 -7.6053 -7.6022 -1.6018 -1.5935 1.0402 1.0441 1.9968 2.0055 4.6852 4.7233 4.9897 5.0634 5.1575 5.2858 5.5779 5.6667 5.8517 5.9114 6.8164 6.8734 7.5447 7.5675 8.8149 8.8304 9.9666 10.0131 10.7418 10.7834 10.9573 10.9859 11.5246 11.5737 11.8783 11.8855 k = 0.3601 0.5349 0.2673 ( 2958 PWs) bands (ev): -25.9072 -25.9072 -8.7771 -8.7716 -7.6954 -7.6829 -7.6065 -7.6032 -1.5621 -1.5535 0.9653 0.9691 2.0295 2.0374 4.6835 4.7156 5.0092 5.0752 5.1707 5.3039 5.5591 5.6446 5.8276 5.8976 6.8412 6.8950 7.5788 7.5985 8.6874 8.7042 9.8831 9.9380 10.7283 10.7882 10.8541 10.8951 11.5782 11.6285 11.9261 11.9354 k = 0.3531 0.5462 0.2806 ( 2952 PWs) bands (ev): -25.9071 -25.9071 -8.7778 -8.7723 -7.6962 -7.6836 -7.6074 -7.6040 -1.5209 -1.5121 0.8870 0.8908 2.0655 2.0726 4.6822 4.7086 5.0297 5.0870 5.1836 5.3231 5.5420 5.6231 5.8044 5.8865 6.8680 6.9182 7.6127 7.6291 8.5620 8.5807 9.7926 9.8535 10.6909 10.7371 10.7893 10.8152 11.6478 11.6954 11.9737 11.9856 k = 0.3461 0.5576 0.2940 ( 2956 PWs) bands (ev): -25.9069 -25.9069 -8.7784 -8.7730 -7.6969 -7.6845 -7.6083 -7.6048 -1.4785 -1.4695 0.8065 0.8104 2.1040 2.1103 4.6812 4.7024 5.0510 5.0985 5.1959 5.3433 5.5264 5.6025 5.7822 5.8778 6.8965 6.9431 7.6464 7.6591 8.4389 8.4605 9.6977 9.7629 10.6250 10.6355 10.7551 10.7634 11.7244 11.7663 12.0204 12.0351 k = 0.3391 0.5690 0.3074 ( 2964 PWs) bands (ev): -25.9068 -25.9068 -8.7789 -8.7737 -7.6977 -7.6855 -7.6089 -7.6054 -1.4350 -1.4258 0.7246 0.7288 2.1443 2.1499 4.6805 4.6969 5.0732 5.1097 5.2070 5.3645 5.5120 5.5832 5.7612 5.8713 6.9269 6.9696 7.6795 7.6878 8.3188 8.3445 9.6002 9.6684 10.5316 10.5392 10.7102 10.7335 11.8014 11.8361 12.0653 12.0828 k = 0.3321 0.5804 0.3207 ( 2968 PWs) bands (ev): -25.9067 -25.9067 -8.7794 -8.7744 -7.6984 -7.6865 -7.6094 -7.6059 -1.3907 -1.3812 0.6422 0.6467 2.1859 2.1908 4.6801 4.6923 5.0961 5.1204 5.2165 5.3867 5.4986 5.5660 5.7420 5.8670 6.9592 6.9979 7.7113 7.7139 8.2025 8.2340 9.5011 9.5715 10.4284 10.4456 10.6713 10.7008 11.8755 11.9026 12.1075 12.1274 k = 0.3251 0.5918 0.3341 ( 2958 PWs) bands (ev): -25.9066 -25.9066 -8.7799 -8.7750 -7.6991 -7.6876 -7.6097 -7.6063 -1.3459 -1.3363 0.5602 0.5651 2.2282 2.2324 4.6802 4.6886 5.1199 5.1306 5.2240 5.4098 5.4863 5.5515 5.7247 5.8647 6.9933 7.0280 7.7344 7.7398 8.0922 8.1324 9.4013 9.4734 10.3264 10.3498 10.6354 10.6672 11.9456 11.9658 12.1460 12.1679 k = 0.3181 0.6032 0.3474 ( 2958 PWs) bands (ev): -25.9065 -25.9065 -8.7803 -8.7757 -7.6997 -7.6887 -7.6099 -7.6067 -1.3012 -1.2913 0.4794 0.4848 2.2708 2.2742 4.6807 4.6858 5.1398 5.1443 5.2286 5.4330 5.4754 5.5404 5.7096 5.8642 7.0292 7.0598 7.7421 7.7589 7.9940 8.0468 9.3015 9.3747 10.2258 10.2536 10.6018 10.6343 12.0120 12.0261 12.1802 12.2032 k = 0.3112 0.6146 0.3608 ( 2966 PWs) bands (ev): -25.9064 -25.9064 -8.7806 -8.7763 -7.7001 -7.6898 -7.6099 -7.6069 -1.2570 -1.2470 0.4007 0.4068 2.3132 2.3158 4.6816 4.6840 5.1480 5.1687 5.2303 5.4496 5.4727 5.5334 5.6969 5.8653 7.0668 7.0932 7.7237 7.7486 7.9281 7.9906 9.2021 9.2761 10.1268 10.1581 10.5710 10.6031 12.0755 12.0837 12.2104 12.2329 k = 0.3042 0.6260 0.3742 ( 2960 PWs) bands (ev): -25.9063 -25.9063 -8.7808 -8.7768 -7.7005 -7.6909 -7.6098 -7.6070 -1.2142 -1.2039 0.3254 0.3320 2.3551 2.3567 4.6831 4.6832 5.1548 5.1918 5.2303 5.4457 5.4924 5.5311 5.6868 5.8679 7.1061 7.1283 7.6708 7.6873 7.9163 7.9724 9.1036 9.1780 10.0298 10.0638 10.5431 10.5743 12.1365 12.1378 12.2383 12.2573 k = 0.2972 0.6373 0.3875 ( 2964 PWs) bands (ev): -25.9062 -25.9062 -8.7810 -8.7773 -7.7008 -7.6919 -7.6097 -7.6071 -1.1738 -1.1632 0.2545 0.2618 2.3958 2.3965 4.6834 4.6852 5.1596 5.2048 5.2370 5.4368 5.5192 5.5337 5.6793 5.8717 7.1470 7.1648 7.5949 7.5988 7.9347 7.9808 9.0063 9.0808 9.9348 9.9711 10.5185 10.5486 12.1854 12.1957 12.2676 12.2771 k = 0.2972 0.6373 0.3875 ( 2964 PWs) bands (ev): -25.9062 -25.9062 -8.7810 -8.7773 -7.7008 -7.6919 -7.6097 -7.6071 -1.1738 -1.1632 0.2545 0.2618 2.3958 2.3965 4.6834 4.6852 5.1596 5.2048 5.2370 5.4368 5.5192 5.5337 5.6793 5.8717 7.1470 7.1648 7.5949 7.5988 7.9347 7.9808 9.0063 9.0808 9.9348 9.9711 10.5185 10.5486 12.1854 12.1957 12.2676 12.2771 k = 0.2797 0.6328 0.3928 ( 2962 PWs) bands (ev): -25.9062 -25.9062 -8.7810 -8.7775 -7.7008 -7.6923 -7.6096 -7.6071 -1.1590 -1.1484 0.2280 0.2356 2.4124 2.4126 4.6840 4.6864 5.1605 5.2040 5.2447 5.4337 5.5301 5.5360 5.6783 5.8745 7.1645 7.1805 7.5551 7.5563 7.9455 7.9881 8.9749 9.0488 9.8974 9.9344 10.5100 10.5394 12.1811 12.1954 12.2637 12.2724 k = 0.2622 0.6283 0.3981 ( 2964 PWs) bands (ev): -25.9062 -25.9062 -8.7810 -8.7777 -7.7008 -7.6926 -7.6095 -7.6071 -1.1456 -1.1351 0.2028 0.2105 2.4298 2.4299 4.6852 4.6882 5.1604 5.2006 5.2546 5.4312 5.5387 5.5409 5.6803 5.8790 7.1834 7.1979 7.4990 7.5061 7.9584 7.9973 8.9569 9.0290 9.8601 9.8974 10.5027 10.5313 12.1414 12.1559 12.2327 12.2471 k = 0.2447 0.6238 0.4034 ( 2966 PWs) bands (ev): -25.9061 -25.9061 -8.7810 -8.7778 -7.7008 -7.6930 -7.6093 -7.6070 -1.1336 -1.1231 0.1789 0.1866 2.4478 2.4483 4.6870 4.6905 5.1595 5.1959 5.2656 5.4291 5.5422 5.5517 5.6847 5.8851 7.2032 7.2162 7.4327 7.4458 7.9731 8.0085 8.9509 9.0203 9.8232 9.8605 10.4967 10.5244 12.0768 12.0914 12.1877 12.2073 k = 0.2272 0.6193 0.4087 ( 2964 PWs) bands (ev): -25.9061 -25.9061 -8.7810 -8.7779 -7.7007 -7.6933 -7.6091 -7.6070 -1.1227 -1.1125 0.1563 0.1640 2.4664 2.4671 4.6893 4.6932 5.1580 5.1907 5.2773 5.4273 5.5463 5.5635 5.6910 5.8928 7.2225 7.2334 7.3600 7.3786 7.9893 8.0214 8.9552 9.0211 9.7871 9.8242 10.4924 10.5189 11.9970 12.0125 12.1371 12.1594 k = 0.2098 0.6148 0.4140 ( 2962 PWs) bands (ev): -25.9061 -25.9061 -8.7809 -8.7781 -7.7005 -7.6936 -7.6089 -7.6069 -1.1130 -1.1030 0.1351 0.1427 2.4853 2.4863 4.6918 4.6960 5.1562 5.1851 5.2895 5.4256 5.5510 5.5768 5.6989 5.9019 7.2338 7.2344 7.2985 7.3133 8.0064 8.0357 8.9679 9.0298 9.7522 9.7886 10.4899 10.5150 11.9092 11.9260 12.0849 12.1081 k = 0.1923 0.6102 0.4193 ( 2962 PWs) bands (ev): -25.9061 -25.9061 -8.7808 -8.7782 -7.7004 -7.6939 -7.6087 -7.6068 -1.1043 -1.0948 0.1154 0.1227 2.5042 2.5053 4.6946 4.6990 5.1542 5.1796 5.3021 5.4238 5.5567 5.5920 5.7078 5.9121 7.1724 7.1986 7.2913 7.2957 8.0240 8.0507 8.9869 9.0445 9.7186 9.7542 10.4895 10.5129 11.8178 11.8358 12.0332 12.0562 k = 0.1748 0.6057 0.4246 ( 2956 PWs) bands (ev): -25.9061 -25.9060 -8.7807 -8.7783 -7.7002 -7.6942 -7.6084 -7.6067 -1.0966 -1.0876 0.0971 0.1041 2.5228 2.5240 4.6975 4.7020 5.1521 5.1741 5.3147 5.4221 5.5633 5.6089 5.7179 5.9235 7.0875 7.1231 7.3066 7.3139 8.0419 8.0660 9.0105 9.0635 9.6869 9.7213 10.4912 10.5128 11.7256 11.7446 11.9835 12.0056 k = 0.1573 0.6012 0.4299 ( 2954 PWs) bands (ev): -25.9060 -25.9060 -8.7806 -8.7784 -7.6999 -7.6945 -7.6082 -7.6066 -1.0898 -1.0814 0.0805 0.0871 2.5407 2.5420 4.7004 4.7049 5.1499 5.1689 5.3272 5.4203 5.5712 5.6272 5.7295 5.9360 6.9994 7.0411 7.3274 7.3347 8.0595 8.0813 9.0373 9.0854 9.6573 9.6901 10.4953 10.5148 11.6348 11.6543 11.9369 11.9577 k = 0.1398 0.5967 0.4352 ( 2952 PWs) bands (ev): -25.9060 -25.9060 -8.7805 -8.7785 -7.6997 -7.6948 -7.6079 -7.6065 -1.0839 -1.0762 0.0654 0.0715 2.5577 2.5590 4.7032 4.7076 5.1479 5.1640 5.3393 5.4184 5.5805 5.6457 5.7435 5.9495 6.9115 6.9583 7.3487 7.3555 8.0765 8.0960 9.0656 9.1087 9.6301 9.6609 10.5018 10.5190 11.5467 11.5664 11.8940 11.9132 k = 0.1224 0.5922 0.4405 ( 2954 PWs) bands (ev): -25.9060 -25.9060 -8.7804 -8.7786 -7.6994 -7.6951 -7.6077 -7.6064 -1.0788 -1.0718 0.0521 0.0576 2.5735 2.5748 4.7059 4.7100 5.1460 5.1595 5.3506 5.4164 5.5911 5.6626 5.7615 5.9638 6.8259 6.8770 7.3692 7.3755 8.0926 8.1098 9.0943 9.1322 9.6056 9.6342 10.5107 10.5254 11.4629 11.4823 11.8555 11.8728 k = 0.1049 0.5877 0.4458 ( 2955 PWs) bands (ev): -25.9060 -25.9060 -8.7802 -8.7787 -7.6992 -7.6954 -7.6074 -7.6064 -1.0743 -1.0682 0.0405 0.0453 2.5878 2.5891 4.7084 4.7122 5.1443 5.1554 5.3609 5.4144 5.6030 5.6760 5.7851 5.9785 6.7443 6.7987 7.3883 7.3939 8.1075 8.1224 9.1221 9.1546 9.5843 9.6101 10.5218 10.5340 11.3847 11.4033 11.8216 11.8368 k = 0.0874 0.5831 0.4511 ( 2956 PWs) bands (ev): -25.9060 -25.9060 -8.7801 -8.7788 -7.6989 -7.6957 -7.6072 -7.6063 -1.0706 -1.0653 0.0306 0.0348 2.6004 2.6015 4.7106 4.7139 5.1429 5.1518 5.3701 5.4124 5.6159 5.6850 5.8145 5.9930 6.6686 6.7248 7.4055 7.4103 8.1209 8.1334 9.1480 9.1749 9.5663 9.5890 10.5348 10.5443 11.3134 11.3306 11.7928 11.8058 k = 0.0699 0.5786 0.4564 ( 2957 PWs) bands (ev): -25.9060 -25.9060 -8.7799 -8.7789 -7.6986 -7.6961 -7.6070 -7.6063 -1.0675 -1.0632 0.0226 0.0260 2.6111 2.6120 4.7125 4.7153 5.1418 5.1487 5.3780 5.4102 5.6293 5.6897 5.8489 6.0059 6.6012 6.6567 7.4204 7.4242 8.1325 8.1426 9.1709 9.1923 9.5520 9.5710 10.5489 10.5558 11.2509 11.2661 11.7692 11.7798 k = 0.0524 0.5741 0.4617 ( 2954 PWs) bands (ev): -25.9060 -25.9060 -8.7798 -8.7790 -7.6983 -7.6964 -7.6068 -7.6063 -1.0649 -1.0617 0.0164 0.0190 2.6196 2.6204 4.7142 4.7163 5.1411 5.1461 5.3847 5.4079 5.6426 5.6907 5.8863 6.0150 6.5456 6.5962 7.4324 7.4354 8.1421 8.1497 9.1900 9.2059 9.5415 9.5563 10.5628 10.5675 11.1990 11.2114 11.7511 11.7591 k = 0.0350 0.5696 0.4670 ( 2949 PWs) bands (ev): -25.9060 -25.9060 -8.7797 -8.7791 -7.6980 -7.6967 -7.6066 -7.6063 -1.0630 -1.0608 0.0121 0.0138 2.6259 2.6264 4.7155 4.7169 5.1408 5.1441 5.3904 5.4054 5.6553 5.6886 5.9243 6.0172 6.5057 6.5456 7.4415 7.4435 8.1494 8.1546 9.2048 9.2153 9.5348 9.5450 10.5751 10.5778 11.1600 11.1689 11.7384 11.7438 k = 0.0175 0.5651 0.4723 ( 2949 PWs) bands (ev): -25.9060 -25.9060 -8.7795 -8.7793 -7.6976 -7.6970 -7.6065 -7.6063 -1.0616 -1.0605 0.0097 0.0106 2.6297 2.6300 4.7164 4.7172 5.1409 5.1425 5.3951 5.4025 5.6667 5.6837 5.9599 6.0090 6.4854 6.5078 7.4472 7.4482 8.1544 8.1570 9.2149 9.2201 9.5320 9.5372 10.5837 10.5850 11.1364 11.1410 11.7313 11.7340 k = 0.0000 0.5606 0.4776 ( 2948 PWs) bands (ev): -25.9060 -25.9060 -8.7794 -8.7794 -7.6973 -7.6973 -7.6064 -7.6064 -1.0608 -1.0608 0.0092 0.0092 2.6311 2.6311 4.7170 4.7170 5.1415 5.1415 5.3991 5.3991 5.6763 5.6763 5.9894 5.9894 6.4866 6.4866 7.4494 7.4494 8.1570 8.1570 9.2200 9.2200 9.5328 9.5328 10.5872 10.5872 11.1298 11.1298 11.7299 11.7299 k = 0.0000 0.5606 0.4776 ( 2948 PWs) bands (ev): -25.9060 -25.9060 -8.7794 -8.7794 -7.6973 -7.6973 -7.6064 -7.6064 -1.0608 -1.0608 0.0092 0.0092 2.6311 2.6311 4.7170 4.7170 5.1415 5.1415 5.3991 5.3991 5.6763 5.6763 5.9894 5.9894 6.4866 6.4866 7.4494 7.4494 8.1570 8.1570 9.2200 9.2200 9.5328 9.5328 10.5872 10.5872 11.1298 11.1298 11.7299 11.7299 k = 0.0069 0.5493 0.4909 ( 2948 PWs) bands (ev): -25.9060 -25.9060 -8.7796 -8.7792 -7.6973 -7.6972 -7.6068 -7.6063 -1.0597 -1.0594 0.0099 0.0103 2.6285 2.6294 4.7136 4.7217 5.1391 5.1414 5.3854 5.4089 5.6647 5.6872 5.9860 5.9934 6.4837 6.4891 7.4324 7.4428 8.1686 8.1755 9.1833 9.2267 9.5149 9.5527 10.5988 10.6060 11.1247 11.1326 11.7337 11.7420 k = 0.0139 0.5380 0.5042 ( 2948 PWs) bands (ev): -25.9059 -25.9059 -8.7798 -8.7791 -7.6972 -7.6970 -7.6075 -7.6064 -1.0563 -1.0557 0.0124 0.0132 2.6216 2.6233 4.7115 4.7279 5.1343 5.1388 5.3684 5.4144 5.6528 5.6970 5.9832 5.9981 6.4805 6.4911 7.3959 7.4149 8.2070 8.2195 9.1258 9.2008 9.5039 9.5679 10.6398 10.6532 11.1181 11.1331 11.7534 11.7692 k = 0.0208 0.5266 0.5175 ( 2946 PWs) bands (ev): -25.9059 -25.9059 -8.7801 -8.7791 -7.6970 -7.6967 -7.6084 -7.6068 -1.0505 -1.0495 0.0167 0.0179 2.6103 2.6128 4.7104 4.7356 5.1268 5.1338 5.3487 5.4152 5.6414 5.7056 5.9812 6.0032 6.4772 6.4925 7.3471 7.3722 8.2622 8.2798 9.0569 9.1501 9.4982 9.5757 10.7065 10.7245 11.1114 11.1322 11.7878 11.8094 k = 0.0278 0.5153 0.5307 ( 2950 PWs) bands (ev): -25.9059 -25.9059 -8.7804 -8.7791 -7.6967 -7.6963 -7.6095 -7.6074 -1.0424 -1.0410 0.0229 0.0244 2.5947 2.5980 4.7099 4.7449 5.1158 5.1260 5.3274 5.4114 5.6314 5.7132 5.9798 6.0086 6.4737 6.4931 7.2925 7.3217 8.3211 8.3456 8.9860 9.0874 9.4947 9.5775 10.7939 10.8146 11.1062 11.1317 11.8351 11.8606 k = 0.0347 0.5040 0.5440 ( 2950 PWs) bands (ev): -25.9058 -25.9058 -8.7807 -8.7791 -7.6963 -7.6959 -7.6109 -7.6083 -1.0318 -1.0301 0.0308 0.0327 2.5747 2.5787 4.7097 4.7555 5.1006 5.1161 5.3056 5.4032 5.6235 5.7200 5.9789 6.0142 6.4701 6.4927 7.2366 7.2685 8.3682 8.4044 8.9240 9.0253 9.4941 9.5777 10.8966 10.9174 11.1043 11.1337 11.8930 11.9208 k = 0.0417 0.4927 0.5573 ( 2954 PWs) bands (ev): -25.9058 -25.9058 -8.7811 -8.7792 -7.6958 -7.6953 -7.6125 -7.6094 -1.0189 -1.0169 0.0404 0.0427 2.5502 2.5549 4.7092 4.7676 5.0800 5.1044 5.2847 5.3916 5.6178 5.7261 5.9785 6.0198 6.4665 6.4914 7.1820 7.2155 8.3869 8.4408 8.8834 8.9747 9.5013 9.5825 11.0064 11.0237 11.1099 11.1450 11.9597 11.9880 k = 0.0486 0.4814 0.5705 ( 2956 PWs) bands (ev): -25.9057 -25.9057 -8.7815 -8.7793 -7.6952 -7.6946 -7.6144 -7.6108 -1.0035 -1.0013 0.0517 0.0543 2.5214 2.5266 4.7077 4.7808 5.0536 5.0916 5.2658 5.3776 5.6143 5.7318 5.9784 6.0254 6.4629 6.4888 7.1302 7.1649 8.3666 8.4411 8.8697 8.9413 9.5241 9.6000 11.0799 11.1011 11.1592 11.1991 12.0333 12.0606 k = 0.0556 0.4701 0.5838 ( 2952 PWs) bands (ev): -25.9056 -25.9056 -8.7819 -8.7794 -7.6946 -7.6939 -7.6164 -7.6124 -0.9858 -0.9833 0.0647 0.0676 2.4880 2.4937 4.7042 4.7947 5.0217 5.0786 5.2494 5.3627 5.6128 5.7373 5.9785 6.0310 6.4592 6.4848 7.0821 7.1177 8.3120 8.4043 8.8715 8.9195 9.5706 9.6388 11.0980 11.1229 11.2787 11.3104 12.1121 12.1370 k = 0.0625 0.4588 0.5971 ( 2944 PWs) bands (ev): -25.9055 -25.9055 -8.7824 -8.7796 -7.6938 -7.6931 -7.6186 -7.6141 -0.9658 -0.9629 0.0792 0.0825 2.4502 2.4562 4.6977 4.8086 4.9859 5.0668 5.2353 5.3480 5.6129 5.7428 5.9788 6.0364 6.4552 6.4795 7.0379 7.0746 8.2364 8.3416 8.8693 8.8970 9.6448 9.7047 11.1096 11.1358 11.4099 11.4367 12.1945 12.2152 k = 0.0694 0.4475 0.6103 ( 2946 PWs) bands (ev): -25.9054 -25.9054 -8.7828 -8.7799 -7.6930 -7.6922 -7.6209 -7.6161 -0.9434 -0.9403 0.0953 0.0989 2.4079 2.4142 4.6870 4.8201 4.9490 5.0572 5.2231 5.3343 5.6142 5.7484 5.9791 6.0415 6.4509 6.4726 6.9975 7.0359 8.1503 8.2647 8.8502 8.8680 9.7452 9.7980 11.1225 11.1492 11.5436 11.5661 12.2779 12.2928 k = 0.0764 0.4362 0.6236 ( 2942 PWs) bands (ev): -25.9053 -25.9053 -8.7833 -8.7802 -7.6921 -7.6912 -7.6234 -7.6183 -0.9186 -0.9153 0.1129 0.1167 2.3613 2.3678 4.6713 4.8229 4.9186 5.0515 5.2124 5.3222 5.6165 5.7541 5.9795 6.0465 6.4457 6.4644 6.9608 7.0018 8.0601 8.1812 8.8111 8.8322 9.8668 9.9144 11.1373 11.1642 11.6768 11.6954 12.3575 12.3661 k = 0.0833 0.4249 0.6369 ( 2942 PWs) bands (ev): -25.9052 -25.9052 -8.7839 -8.7805 -7.6912 -7.6902 -7.6260 -7.6206 -0.8915 -0.8879 0.1318 0.1358 2.3104 2.3169 4.6504 4.8050 4.9072 5.0503 5.2027 5.3122 5.6197 5.7600 5.9798 6.0512 6.4389 6.4554 6.9277 6.9725 7.9692 8.0955 8.7591 8.7872 10.0043 10.0482 11.1539 11.1808 11.8073 11.8224 12.4211 12.4320 k = 0.0903 0.4136 0.6501 ( 2940 PWs) bands (ev): -25.9051 -25.9051 -8.7844 -8.7809 -7.6902 -7.6891 -7.6287 -7.6230 -0.8621 -0.8583 0.1520 0.1562 2.2554 2.2619 4.6243 4.7679 4.9139 5.0542 5.1939 5.3044 5.6236 5.7662 5.9800 6.0557 6.4289 6.4469 6.8982 6.9476 7.8798 8.0102 8.6993 8.7335 10.1532 10.1946 11.1717 11.1989 11.9328 11.9457 12.4580 12.4781 k = 0.0972 0.4023 0.6634 ( 2938 PWs) bands (ev): -25.9050 -25.9050 -8.7849 -8.7813 -7.6892 -7.6880 -7.6315 -7.6256 -0.8303 -0.8264 0.1734 0.1778 2.1964 2.2028 4.5938 4.7228 4.9276 5.0628 5.1859 5.2992 5.6282 5.7727 5.9802 6.0600 6.4151 6.4392 6.8721 6.9271 7.7932 7.9268 8.6341 8.6730 10.3101 10.3495 11.1901 11.2177 12.0510 12.0629 12.4664 12.4910 k = 0.1042 0.3910 0.6767 ( 2942 PWs) bands (ev): -25.9048 -25.9048 -8.7855 -8.7818 -7.6881 -7.6869 -7.6343 -7.6282 -0.7963 -0.7921 0.1958 0.2004 2.1336 2.1398 4.5599 4.6749 4.9430 5.0754 5.1787 5.2967 5.6334 5.7794 5.9804 6.0639 6.3981 6.4317 6.8495 6.9105 7.7104 7.8464 8.5653 8.6078 10.4723 10.5101 11.2083 11.2367 12.1580 12.1694 12.4560 12.4789 k = 0.1111 0.3797 0.6899 ( 2942 PWs) bands (ev): -25.9047 -25.9047 -8.7861 -8.7822 -7.6870 -7.6857 -7.6372 -7.6309 -0.7599 -0.7557 0.2192 0.2239 2.0674 2.0733 4.5234 4.6262 4.9583 5.0907 5.1731 5.2971 5.6393 5.7864 5.9805 6.0676 6.3783 6.4237 6.8304 6.8975 7.6321 7.7696 8.4940 8.5392 10.6375 10.6736 11.2255 11.2553 12.2407 12.2560 12.4452 12.4718 k = 0.1181 0.3684 0.7032 ( 2940 PWs) bands (ev): -25.9046 -25.9046 -8.7866 -8.7827 -7.6859 -7.6846 -7.6401 -7.6337 -0.7213 -0.7169 0.2434 0.2482 1.9980 2.0036 4.4853 4.5774 4.9725 5.1065 5.1706 5.3007 5.6458 5.7935 5.9807 6.0711 6.3561 6.4147 6.8149 6.8878 7.5587 7.6969 8.4211 8.4684 10.8033 10.8373 11.2411 11.2731 12.2731 12.2989 12.4659 12.5082 k = 0.1250 0.3571 0.7165 ( 2934 PWs) bands (ev): -25.9044 -25.9044 -8.7872 -8.7833 -7.6848 -7.6834 -7.6429 -7.6364 -0.6805 -0.6760 0.2682 0.2731 1.9256 1.9309 4.4462 4.5291 4.9851 5.1184 5.1749 5.3076 5.6530 5.8007 5.9810 6.0743 6.3320 6.4045 6.8031 6.8812 7.4907 7.6286 8.3474 8.3960 10.9655 10.9965 11.2559 11.2920 12.2660 12.2897 12.5351 12.5826 k = 0.1319 0.3458 0.7297 ( 2936 PWs) bands (ev): -25.9043 -25.9043 -8.7877 -8.7838 -7.6837 -7.6822 -7.6457 -7.6392 -0.6374 -0.6328 0.2935 0.2985 1.8507 1.8556 4.4067 4.4814 4.9957 5.1225 5.1892 5.3177 5.6607 5.8080 5.9815 6.0773 6.3061 6.3929 6.7948 6.8772 7.4283 7.5648 8.2732 8.3228 11.1105 11.1387 11.2786 11.3235 12.2484 12.2657 12.6218 12.6699 k = 0.1389 0.3345 0.7430 ( 2938 PWs) bands (ev): -25.9042 -25.9042 -8.7883 -8.7844 -7.6826 -7.6810 -7.6485 -7.6420 -0.5921 -0.5875 0.3192 0.3241 1.7736 1.7780 4.3671 4.4347 5.0044 5.1207 5.2111 5.3310 5.6692 5.8150 5.9824 6.0799 6.2788 6.3799 6.7900 6.8757 7.3716 7.5057 8.1990 8.2491 11.1894 11.2210 11.3559 11.4070 12.2333 12.2454 12.7121 12.7598 k = 0.1458 0.3231 0.7563 ( 2932 PWs) bands (ev): -25.9040 -25.9040 -8.7888 -8.7850 -7.6815 -7.6799 -7.6511 -7.6447 -0.5447 -0.5401 0.3450 0.3499 1.6945 1.6986 4.3279 4.3892 5.0113 5.1165 5.2368 5.3469 5.6784 5.8218 5.9837 6.0823 6.2504 6.3654 6.7888 6.8765 7.3208 7.4513 8.1253 8.1754 11.2016 11.2347 11.4945 11.5400 12.2251 12.2353 12.8035 12.8500 k = 0.1528 0.3118 0.7695 ( 2936 PWs) bands (ev): -25.9039 -25.9039 -8.7893 -8.7856 -7.6804 -7.6788 -7.6537 -7.6474 -0.4952 -0.4905 0.3706 0.3755 1.6139 1.6175 4.2894 4.3448 5.0167 5.1112 5.2643 5.3651 5.6883 5.8281 5.9858 6.0844 6.2213 6.3496 6.7908 6.8793 7.2756 7.4016 8.0522 8.1020 11.1907 11.2250 11.6415 11.6830 12.2254 12.2376 12.8959 12.9403 k = 0.1597 0.3005 0.7828 ( 2938 PWs) bands (ev): -25.9038 -25.9038 -8.7898 -8.7862 -7.6794 -7.6777 -7.6562 -7.6500 -0.4435 -0.4389 0.3961 0.4009 1.5321 1.5353 4.2518 4.3019 5.0209 5.1058 5.2926 5.3849 5.6989 5.8337 5.9886 6.0861 6.1919 6.3326 6.7962 6.8842 7.2361 7.3563 7.9801 8.0292 11.1693 11.2040 11.7835 11.8221 12.2355 12.2516 12.9901 13.0314 k = 0.1667 0.2892 0.7961 ( 2942 PWs) bands (ev): -25.9036 -25.9036 -8.7902 -8.7868 -7.6784 -7.6767 -7.6585 -7.6525 -0.3899 -0.3853 0.4209 0.4257 1.4493 1.4521 4.2155 4.2606 5.0242 5.1003 5.3212 5.4057 5.7101 5.8384 5.9922 6.0876 6.1626 6.3145 6.8048 6.8911 7.2020 7.3155 7.9092 7.9571 11.1415 11.1757 11.9159 11.9521 12.2555 12.2758 13.0866 13.1240 k = 0.1736 0.2779 0.8093 ( 2944 PWs) bands (ev): -25.9035 -25.9035 -8.7907 -8.7874 -7.6775 -7.6757 -7.6606 -7.6548 -0.3343 -0.3298 0.4451 0.4497 1.3660 1.3685 4.1807 4.2212 5.0268 5.0950 5.3495 5.4268 5.7221 5.8422 5.9966 6.0886 6.1341 6.2956 6.8166 6.8999 7.1730 7.2789 7.8397 7.8861 11.1096 11.1427 12.0364 12.0706 12.2841 12.3086 13.1860 13.2186 k = 0.1806 0.2666 0.8226 ( 2936 PWs) bands (ev): -25.9034 -25.9034 -8.7910 -8.7880 -7.6767 -7.6748 -7.6626 -7.6571 -0.2768 -0.2724 0.4683 0.4728 1.2824 1.2846 4.1477 4.1838 5.0291 5.0899 5.3773 5.4478 5.7345 5.8451 6.0017 6.0886 6.1077 6.2760 6.8315 6.9107 7.1488 7.2463 7.7719 7.8164 11.0756 11.1069 12.1432 12.1758 12.3200 12.3484 13.2878 13.3153 k = 0.1875 0.2553 0.8359 ( 2936 PWs) bands (ev): -25.9033 -25.9033 -8.7914 -8.7886 -7.6759 -7.6741 -7.6643 -7.6591 -0.2175 -0.2132 0.4902 0.4946 1.1989 1.2009 4.1168 4.1487 5.0311 5.0852 5.4043 5.4678 5.7471 5.8470 6.0068 6.0784 6.0934 6.2559 6.8494 6.9236 7.1290 7.2174 7.7061 7.7480 11.0411 11.0701 12.2357 12.2673 12.3615 12.3930 13.3911 13.4132 k = 0.1944 0.2440 0.8492 ( 2936 PWs) bands (ev): -25.9032 -25.9032 -8.7917 -8.7891 -7.6753 -7.6734 -7.6659 -7.6610 -0.1567 -0.1525 0.5107 0.5149 1.1158 1.1177 4.0883 4.1162 5.0331 5.0806 5.4304 5.4865 5.7595 5.8481 6.0109 6.0584 6.0924 6.2354 6.8703 6.9385 7.1132 7.1921 7.6423 7.6814 11.0075 11.0338 12.3148 12.3450 12.4069 12.4397 13.4936 13.5107 k = 0.2014 0.2327 0.8624 ( 2936 PWs) bands (ev): -25.9032 -25.9032 -8.7919 -8.7896 -7.6747 -7.6729 -7.6671 -7.6626 -0.0944 -0.0905 0.5294 0.5335 1.0335 1.0354 4.0624 4.0865 5.0351 5.0764 5.4553 5.5036 5.7711 5.8481 6.0111 6.0448 6.0923 6.2149 6.8940 6.9555 7.1011 7.1700 7.5811 7.6167 10.9759 10.9993 12.3827 12.4101 12.4538 12.4854 13.5927 13.6054 k = 0.2083 0.2214 0.8757 ( 2936 PWs) bands (ev): -25.9031 -25.9031 -8.7921 -8.7901 -7.6743 -7.6727 -7.6680 -7.6641 -0.0311 -0.0273 0.5461 0.5502 0.9524 0.9545 4.0395 4.0598 5.0372 5.0723 5.4787 5.5186 5.7813 5.8469 6.0051 6.0415 6.0921 6.1946 6.9204 6.9746 7.0922 7.1510 7.5226 7.5544 10.9471 10.9675 12.4416 12.4652 12.4989 12.5271 13.6853 13.6943 k = 0.2153 0.2101 0.8890 ( 2934 PWs) bands (ev): -25.9030 -25.9030 -8.7922 -8.7906 -7.6740 -7.6727 -7.6685 -7.6652 0.0329 0.0363 0.5607 0.5646 0.8734 0.8756 4.0198 4.0366 5.0394 5.0685 5.5003 5.5315 5.7896 5.8439 5.9986 6.0437 6.0918 6.1748 6.9490 6.9955 7.0865 7.1349 7.4675 7.4948 10.9220 10.9391 12.4929 12.5125 12.5389 12.5631 13.7684 13.7746 k = 0.2222 0.1988 0.9022 ( 2936 PWs) bands (ev): -25.9030 -25.9030 -8.7923 -8.7910 -7.6738 -7.6729 -7.6686 -7.6662 0.0965 0.0996 0.5728 0.5766 0.7973 0.7998 4.0036 4.0169 5.0417 5.0650 5.5196 5.5421 5.7958 5.8388 5.9968 6.0466 6.0916 6.1559 6.9790 7.0176 7.0836 7.1215 7.4164 7.4387 10.9011 10.9148 12.5368 12.5525 12.5726 12.5927 13.8394 13.8434 k = 0.2292 0.1875 0.9155 ( 2934 PWs) bands (ev): -25.9029 -25.9029 -8.7924 -8.7913 -7.6737 -7.6732 -7.6686 -7.6669 0.1581 0.1609 0.5822 0.5859 0.7261 0.7289 3.9911 4.0010 5.0441 5.0616 5.5360 5.5504 5.8005 5.8318 6.0004 6.0478 6.0920 6.1385 7.0088 7.0396 7.0840 7.1112 7.3706 7.3874 10.8847 10.8951 12.5724 12.5837 12.6004 12.6157 13.8962 13.8986 k = 0.2361 0.1762 0.9288 ( 2924 PWs) bands (ev): -25.9029 -25.9029 -8.7923 -8.7916 -7.6737 -7.6735 -7.6684 -7.6674 0.2144 0.2165 0.5883 0.5918 0.6640 0.6670 3.9825 3.9891 5.0467 5.0584 5.5488 5.5564 5.8042 5.8244 6.0086 6.0459 6.0937 6.1236 7.0353 7.0578 7.0886 7.1052 7.3321 7.3432 10.8733 10.8803 12.5987 12.6048 12.6226 12.6323 13.9376 13.9388 k = 0.2431 0.1649 0.9420 ( 2924 PWs) bands (ev): -25.9029 -25.9029 -8.7922 -8.7919 -7.6738 -7.6737 -7.6682 -7.6677 0.2579 0.2591 0.5890 0.5913 0.6213 0.6234 3.9780 3.9812 5.0495 5.0553 5.5570 5.5598 5.8077 5.8174 6.0193 6.0399 6.0972 6.1116 7.0539 7.0660 7.0978 7.1050 7.3053 7.3107 10.8671 10.8706 12.6146 12.6166 12.6378 12.6420 13.9627 13.9631 k = 0.2500 0.1536 0.9553 ( 2924 PWs) bands (ev): -25.9029 -25.9029 -8.7921 -8.7921 -7.6738 -7.6738 -7.6680 -7.6680 0.2757 0.2757 0.5846 0.5846 0.6106 0.6106 3.9775 3.9775 5.0523 5.0523 5.5604 5.5604 5.8119 5.8119 6.0305 6.0305 6.1030 6.1030 7.0637 7.0637 7.1049 7.1049 7.2967 7.2967 10.8662 10.8662 12.6202 12.6202 12.6442 12.6442 13.9711 13.9711 k = 0.2500 0.1536 0.9553 ( 2924 PWs) bands (ev): -25.9029 -25.9029 -8.7921 -8.7921 -7.6738 -7.6738 -7.6680 -7.6680 0.2757 0.2757 0.5846 0.5846 0.6106 0.6106 3.9775 3.9775 5.0523 5.0523 5.5604 5.5604 5.8119 5.8119 6.0305 6.0305 6.1030 6.1030 7.0637 7.0637 7.1049 7.1049 7.2967 7.2967 10.8662 10.8662 12.6202 12.6202 12.6442 12.6442 13.9711 13.9711 k = 0.2639 0.1621 0.9453 ( 2928 PWs) bands (ev): -25.9029 -25.9029 -8.7922 -8.7920 -7.6737 -7.6737 -7.6681 -7.6679 0.2701 0.2708 0.5866 0.5867 0.6136 0.6137 3.9787 3.9804 5.0492 5.0525 5.5589 5.5606 5.8096 5.8134 6.0247 6.0370 6.0986 6.1086 7.0509 7.0572 7.1103 7.1133 7.2976 7.3013 10.8703 10.8721 12.5808 12.5816 12.6821 12.6838 13.9686 13.9689 k = 0.2778 0.1706 0.9353 ( 2924 PWs) bands (ev): -25.9029 -25.9029 -8.7923 -8.7919 -7.6737 -7.6737 -7.6683 -7.6678 0.2553 0.2567 0.5943 0.5943 0.6202 0.6204 3.9838 3.9873 5.0431 5.0502 5.5554 5.5599 5.8077 5.8124 6.0189 6.0453 6.0931 6.1178 7.0261 7.0373 7.1247 7.1283 7.3030 7.3118 10.8843 10.8877 12.5314 12.5330 12.7302 12.7330 13.9606 13.9613 k = 0.2917 0.1792 0.9253 ( 2922 PWs) bands (ev): -25.9029 -25.9029 -8.7923 -8.7917 -7.6737 -7.6736 -7.6684 -7.6676 0.2334 0.2352 0.6056 0.6058 0.6299 0.6303 3.9929 3.9982 5.0342 5.0454 5.5502 5.5584 5.8064 5.8091 6.0132 6.0544 6.0872 6.1298 6.9948 7.0107 7.1423 7.1461 7.3124 7.3273 10.9076 10.9124 12.4829 12.4852 12.7782 12.7816 13.9461 13.9476 k = 0.3056 0.1877 0.9152 ( 2928 PWs) bands (ev): -25.9029 -25.9029 -8.7924 -8.7916 -7.6736 -7.6735 -7.6685 -7.6673 0.2065 0.2087 0.6172 0.6179 0.6439 0.6447 4.0058 4.0129 5.0227 5.0381 5.5435 5.5564 5.8034 5.8053 6.0072 6.0608 6.0840 6.1441 6.9598 6.9805 7.1614 7.1653 7.3250 7.3466 10.9395 10.9454 12.4359 12.4387 12.8260 12.8294 13.9244 13.9268 k = 0.3194 0.1962 0.9052 ( 2930 PWs) bands (ev): -25.9029 -25.9029 -8.7924 -8.7914 -7.6736 -7.6734 -7.6687 -7.6670 0.1765 0.1789 0.6274 0.6286 0.6623 0.6635 4.0225 4.0315 5.0088 5.0286 5.5355 5.5539 5.7956 5.8043 6.0008 6.0569 6.0911 6.1603 6.9227 6.9487 7.1814 7.1856 7.3403 7.3689 10.9789 10.9858 12.3905 12.3939 12.8739 12.8766 13.8952 13.8986 k = 0.3333 0.2048 0.8952 ( 2932 PWs) bands (ev): -25.9029 -25.9029 -8.7924 -8.7912 -7.6736 -7.6732 -7.6688 -7.6668 0.1444 0.1469 0.6367 0.6382 0.6837 0.6849 4.0427 4.0536 4.9928 5.0168 5.5266 5.5510 5.7858 5.8031 5.9936 6.0460 6.1052 6.1780 6.8850 6.9168 7.2023 7.2070 7.3578 7.3936 11.0248 11.0324 12.3471 12.3509 12.9221 12.9234 13.8581 13.8627 k = 0.3472 0.2133 0.8852 ( 2934 PWs) bands (ev): -25.9030 -25.9030 -8.7924 -8.7911 -7.6735 -7.6731 -7.6689 -7.6665 0.1110 0.1136 0.6458 0.6476 0.7065 0.7078 4.0663 4.0792 4.9750 5.0031 5.5172 5.5481 5.7742 5.8014 5.9854 6.0320 6.1222 6.1966 6.8477 6.8859 7.2238 7.2293 7.3773 7.4203 11.0759 11.0840 12.3056 12.3098 12.9699 12.9707 13.8134 13.8192 k = 0.3611 0.2218 0.8752 ( 2932 PWs) bands (ev): -25.9030 -25.9030 -8.7924 -8.7909 -7.6735 -7.6728 -7.6691 -7.6662 0.0768 0.0794 0.6548 0.6568 0.7301 0.7313 4.0928 4.1078 4.9556 4.9876 5.5073 5.5451 5.7609 5.7989 5.9761 6.0160 6.1412 6.2157 6.8117 6.8571 7.2460 7.2525 7.3986 7.4486 11.1308 11.1391 12.2660 12.2706 13.0159 13.0199 13.7615 13.7685 k = 0.3750 0.2303 0.8652 ( 2938 PWs) bands (ev): -25.9030 -25.9030 -8.7924 -8.7906 -7.6733 -7.6726 -7.6692 -7.6659 0.0422 0.0447 0.6639 0.6662 0.7540 0.7551 4.1219 4.1391 4.9350 4.9707 5.4973 5.5422 5.7458 5.7953 5.9655 5.9986 6.1616 6.2348 6.7777 6.8314 7.2688 7.2765 7.4216 7.4784 11.1878 11.1963 12.2285 12.2335 13.0606 13.0692 13.7032 13.7114 k = 0.3889 0.2389 0.8552 ( 2935 PWs) bands (ev): -25.9030 -25.9030 -8.7924 -8.7904 -7.6732 -7.6723 -7.6694 -7.6656 0.0072 0.0096 0.6732 0.6757 0.7781 0.7790 4.1532 4.1727 4.9136 4.9526 5.4873 5.5395 5.7291 5.7905 5.9539 5.9804 6.1830 6.2535 6.7463 6.8094 7.2922 7.3013 7.4463 7.5095 11.2454 11.2538 12.1929 12.1985 13.1029 13.1176 13.6394 13.6485 k = 0.4028 0.2474 0.8452 ( 2939 PWs) bands (ev): -25.9031 -25.9031 -8.7924 -8.7902 -7.6730 -7.6721 -7.6695 -7.6653 -0.0281 -0.0258 0.6826 0.6854 0.8022 0.8030 4.1860 4.2081 4.8917 4.9339 5.4773 5.5371 5.7109 5.7842 5.9415 5.9618 6.2050 6.2712 6.7180 6.7915 7.3162 7.3267 7.4726 7.5419 11.3016 11.3097 12.1593 12.1653 13.1398 13.1627 13.5713 13.5809 k = 0.4167 0.2559 0.8352 ( 2935 PWs) bands (ev): -25.9031 -25.9031 -8.7923 -8.7899 -7.6728 -7.6718 -7.6696 -7.6651 -0.0635 -0.0614 0.6921 0.6951 0.8265 0.8271 4.2198 4.2447 4.8701 4.9151 5.4675 5.5350 5.6912 5.7761 5.9286 5.9437 6.2271 6.2876 6.6932 6.7783 7.3407 7.3527 7.5008 7.5755 11.3546 11.3623 12.1275 12.1341 13.1669 13.1998 13.5001 13.5097 k = 0.4306 0.2645 0.8251 ( 2932 PWs) bands (ev): -25.9031 -25.9031 -8.7923 -8.7897 -7.6726 -7.6716 -7.6696 -7.6648 -0.0991 -0.0972 0.7017 0.7050 0.8509 0.8512 4.2537 4.2816 4.8492 4.8969 5.4578 5.5332 5.6703 5.7660 5.9155 5.9269 6.2488 6.3022 6.6722 6.7696 7.3657 7.3791 7.5309 7.6104 11.4022 11.4096 12.0974 12.1047 13.1782 13.2213 13.4272 13.4356 k = 0.4444 0.2730 0.8151 ( 2927 PWs) bands (ev): -25.9032 -25.9032 -8.7922 -8.7894 -7.6723 -7.6716 -7.6694 -7.6646 -0.1348 -0.1331 0.7115 0.7150 0.8756 0.8756 4.2868 4.3181 4.8299 4.8801 5.4481 5.5315 5.6483 5.7537 5.9027 5.9122 6.2695 6.3147 6.6555 6.7655 7.3911 7.4058 7.5629 7.6466 11.4426 11.4496 12.0689 12.0769 13.1697 13.2191 13.3539 13.3598 k = 0.4583 0.2815 0.8051 ( 2927 PWs) bands (ev): -25.9032 -25.9032 -8.7921 -8.7891 -7.6720 -7.6717 -7.6691 -7.6643 -0.1708 -0.1693 0.7214 0.7251 0.9002 0.9005 4.3181 4.3528 4.8133 4.8658 5.4384 5.5300 5.6258 5.7392 5.8904 5.9002 6.2884 6.3250 6.6433 6.7656 7.4168 7.4328 7.5970 7.6842 11.4738 11.4804 12.0416 12.0504 13.1435 13.1923 13.2817 13.2832 k = 0.4722 0.2901 0.7951 ( 2927 PWs) bands (ev): -25.9033 -25.9033 -8.7920 -8.7888 -7.6720 -7.6717 -7.6685 -7.6641 -0.2070 -0.2058 0.7313 0.7353 0.9252 0.9258 4.3463 4.3843 4.8006 4.8553 5.4287 5.5283 5.6031 5.7227 5.8790 5.8911 6.3048 6.3332 6.6359 6.7692 7.4428 7.4598 7.6333 7.7230 11.4943 11.5008 12.0153 12.0251 13.1063 13.1475 13.2072 13.2136 k = 0.4861 0.2986 0.7851 ( 2925 PWs) bands (ev): -25.9033 -25.9033 -8.7919 -8.7885 -7.6723 -7.6713 -7.6679 -7.6639 -0.2435 -0.2425 0.7413 0.7456 0.9507 0.9517 4.3701 4.4111 4.7935 4.8496 5.4189 5.5260 5.5809 5.7046 5.8690 5.8852 6.3184 6.3394 6.6334 6.7758 7.4689 7.4866 7.6719 7.7633 11.5030 11.5095 11.9896 12.0005 13.0638 13.0900 13.1341 13.1543 k = 0.5000 0.3071 0.7751 ( 2930 PWs) bands (ev): -25.9034 -25.9034 -8.7918 -8.7882 -7.6727 -7.6710 -7.6672 -7.6636 -0.2804 -0.2797 0.7515 0.7560 0.9767 0.9780 4.3883 4.4314 4.7934 4.8501 5.4089 5.5218 5.5607 5.6856 5.8606 5.8822 6.3286 6.3439 6.6358 6.7846 7.4950 7.5132 7.7128 7.8048 11.4996 11.5064 11.9639 11.9762 13.0161 13.0245 13.0691 13.1058 k = 0.5000 0.3071 0.7751 ( 2930 PWs) bands (ev): -25.9034 -25.9034 -8.7918 -8.7882 -7.6727 -7.6710 -7.6672 -7.6636 -0.2804 -0.2797 0.7515 0.7560 0.9767 0.9780 4.3883 4.4314 4.7934 4.8501 5.4089 5.5218 5.5607 5.6856 5.8606 5.8822 6.3286 6.3439 6.6358 6.7846 7.4950 7.5132 7.7128 7.8048 11.4996 11.5064 11.9639 11.9762 13.0161 13.0245 13.0691 13.1058 k = 0.5000 0.3071 0.7562 ( 2930 PWs) bands (ev): -25.9035 -25.9035 -8.7915 -8.7876 -7.6734 -7.6704 -7.6657 -7.6629 -0.3505 -0.3502 0.7717 0.7767 1.0256 1.0277 4.4165 4.4615 4.8024 4.8577 5.3894 5.5096 5.5256 5.6473 5.8480 5.8814 6.3433 6.3498 6.6506 6.8078 7.5461 7.5649 7.7933 7.8856 11.4812 11.4891 11.9098 11.9250 12.8929 12.8974 12.9782 13.0249 k = 0.5000 0.3071 0.7373 ( 2930 PWs) bands (ev): -25.9036 -25.9036 -8.7912 -8.7869 -7.6742 -7.6699 -7.6641 -7.6621 -0.4206 -0.4204 0.7939 0.7994 1.0730 1.0759 4.4428 4.4879 4.8155 4.8665 5.3695 5.4856 5.4992 5.6068 5.8382 5.8837 6.3529 6.3536 6.6782 6.8413 7.6010 7.6203 7.8762 7.9682 11.4618 11.4706 11.8431 11.8617 12.7641 12.7690 12.8965 12.9414 k = 0.5000 0.3071 0.7184 ( 2930 PWs) bands (ev): -25.9038 -25.9037 -8.7908 -8.7863 -7.6750 -7.6695 -7.6624 -7.6610 -0.4908 -0.4901 0.8180 0.8240 1.1189 1.1226 4.4665 4.5093 4.8333 4.8767 5.3493 5.4489 5.4841 5.5658 5.8308 5.8882 6.3536 6.3592 6.7193 6.8852 7.6595 7.6792 7.9613 8.0528 11.4414 11.4512 11.7611 11.7835 12.6452 12.6489 12.8118 12.8536 k = 0.5000 0.3071 0.6995 ( 2936 PWs) bands (ev): -25.9039 -25.9039 -8.7904 -8.7855 -7.6758 -7.6693 -7.6605 -7.6596 -0.5605 -0.5593 0.8440 0.8504 1.1631 1.1676 4.4868 4.5252 4.8552 4.8885 5.3288 5.4122 5.4687 5.5256 5.8257 5.8941 6.3522 6.3607 6.7734 6.9392 7.7214 7.7415 8.0484 8.1390 11.4204 11.4309 11.6622 11.6882 12.5399 12.5421 12.7236 12.7624 k = 0.5000 0.3071 0.6806 ( 2932 PWs) bands (ev): -25.9040 -25.9040 -8.7899 -8.7848 -7.6766 -7.6693 -7.6585 -7.6581 -0.6296 -0.6279 0.8719 0.8787 1.2054 1.2107 4.5032 4.5359 4.8801 4.9021 5.3084 5.3773 5.4527 5.4870 5.8225 5.9012 6.3492 6.3591 6.8398 7.0032 7.7866 7.8069 8.1374 8.2270 11.3988 11.4096 11.5463 11.5751 12.4497 12.4507 12.6324 12.6687 k = 0.5000 0.3071 0.6617 ( 2932 PWs) bands (ev): -25.9042 -25.9042 -8.7894 -8.7840 -7.6774 -7.6693 -7.6564 -7.6563 -0.6978 -0.6956 0.9016 0.9089 1.2458 1.2519 4.5155 4.5421 4.9065 4.9172 5.2880 5.3455 5.4362 5.4508 5.8210 5.9091 6.3449 6.3552 6.9176 7.0770 7.8548 7.8753 8.2283 8.3165 11.3768 11.3821 11.4204 11.4458 12.3738 12.3744 12.5392 12.5737 k = 0.5000 0.3071 0.6427 ( 2932 PWs) bands (ev): -25.9043 -25.9043 -8.7889 -8.7832 -7.6782 -7.6695 -7.6543 -7.6542 -0.7651 -0.7624 0.9330 0.9408 1.2841 1.2909 4.5241 4.5448 4.9322 4.9337 5.2679 5.3179 5.4172 5.4193 5.8209 5.9178 6.3398 6.3499 7.0059 7.1603 7.9260 7.9466 8.3209 8.4075 11.2639 11.3014 11.3562 11.3720 12.3098 12.3111 12.4446 12.4782 k = 0.5000 0.3071 0.6238 ( 2938 PWs) bands (ev): -25.9045 -25.9045 -8.7883 -8.7824 -7.6790 -7.6697 -7.6522 -7.6519 -0.8313 -0.8282 0.9662 0.9744 1.3200 1.3275 4.5293 4.5450 4.9513 4.9552 5.2481 5.2959 5.3866 5.4024 5.8221 5.9270 6.3341 6.3436 7.1040 7.2527 8.0000 8.0205 8.4152 8.5000 11.1097 11.1483 11.3340 11.3496 12.2544 12.2579 12.3494 12.3836 k = 0.5000 0.3071 0.6049 ( 2938 PWs) bands (ev): -25.9047 -25.9047 -8.7877 -8.7816 -7.6798 -7.6700 -7.6500 -7.6495 -0.8963 -0.8927 1.0011 1.0097 1.3535 1.3616 4.5319 4.5437 4.9697 4.9737 5.2287 5.2809 5.3590 5.3856 5.8244 5.9369 6.3279 6.3366 7.2114 7.3540 8.0766 8.0971 8.5110 8.5937 10.9475 10.9873 11.3126 11.3285 12.2027 12.2106 12.2558 12.2930 k = 0.5000 0.3071 0.5860 ( 2936 PWs) bands (ev): -25.9049 -25.9049 -8.7870 -8.7807 -7.6806 -7.6703 -7.6476 -7.6470 -0.9600 -0.9559 1.0377 1.0467 1.3843 1.3929 4.5326 4.5417 4.9862 4.9888 5.2099 5.2735 5.3344 5.3693 5.8278 5.9474 6.3215 6.3294 7.3275 7.4640 8.1558 8.1761 8.6083 8.6886 10.7803 10.8214 11.2916 11.3078 12.1431 12.1461 12.1852 12.2162 k = 0.5000 0.3071 0.5671 ( 2940 PWs) bands (ev): -25.9050 -25.9050 -8.7863 -8.7799 -7.6813 -7.6707 -7.6451 -7.6445 -1.0223 -1.0178 1.0758 1.0852 1.4123 1.4213 4.5322 4.5397 4.9922 5.0081 5.1917 5.2737 5.3128 5.3539 5.8321 5.9584 6.3150 6.3219 7.4516 7.5820 8.2374 8.2576 8.7069 8.7845 10.6101 10.6524 11.2714 11.2879 12.0530 12.0632 12.1476 12.1646 k = 0.5000 0.3071 0.5482 ( 2940 PWs) bands (ev): -25.9052 -25.9052 -8.7856 -8.7790 -7.6821 -7.6711 -7.6425 -7.6418 -1.0830 -1.0782 1.1154 1.1252 1.4373 1.4466 4.5316 4.5384 4.9925 5.0276 5.1744 5.2792 5.2940 5.3409 5.8374 5.9700 6.3086 6.3144 7.5833 7.7077 8.3214 8.3414 8.8066 8.8811 10.4382 10.4818 11.2519 11.2686 11.9562 11.9719 12.1175 12.1284 k = 0.5000 0.3071 0.5293 ( 2944 PWs) bands (ev): -25.9054 -25.9054 -8.7849 -8.7781 -7.6828 -7.6716 -7.6398 -7.6391 -1.1422 -1.1370 1.1564 1.1666 1.4591 1.4687 4.5313 4.5384 4.9884 5.0469 5.1583 5.2778 5.2846 5.3342 5.8434 5.9820 6.3023 6.3071 7.7220 7.8406 8.4076 8.4274 8.9072 8.9783 10.2658 10.3106 11.2335 11.2502 11.8585 11.8771 12.0911 12.0989 k = 0.5000 0.3071 0.5104 ( 2948 PWs) bands (ev): -25.9056 -25.9056 -8.7841 -8.7773 -7.6835 -7.6721 -7.6371 -7.6363 -1.1997 -1.1941 1.1988 1.2094 1.4776 1.4874 4.5319 4.5401 4.9817 5.0646 5.1450 5.2639 5.2818 5.3403 5.8502 5.9947 6.2963 6.3000 7.8670 7.9800 8.4959 8.5155 9.0085 9.0756 10.0937 10.1397 11.2161 11.2329 11.7605 11.7813 12.0676 12.0734 k = 0.5000 0.3071 0.4915 ( 2944 PWs) bands (ev): -25.9058 -25.9058 -8.7833 -8.7764 -7.6842 -7.6726 -7.6342 -7.6334 -1.2554 -1.2496 1.2424 1.2534 1.4928 1.5027 4.5339 4.5440 4.9735 5.0771 5.1385 5.2520 5.2716 5.3573 5.8579 6.0079 6.2906 6.2933 8.0177 8.1254 8.5863 8.6058 9.1101 9.1724 9.9228 9.9699 11.2001 11.2167 11.6622 11.6852 12.0467 12.0509 k = 0.5000 0.3071 0.4726 ( 2944 PWs) bands (ev): -25.9060 -25.9060 -8.7825 -8.7756 -7.6848 -7.6731 -7.6313 -7.6306 -1.3094 -1.3033 1.2872 1.2986 1.5047 1.5146 4.5377 4.5503 4.9647 5.0781 5.1454 5.2419 5.2585 5.3798 5.8664 6.0217 6.2854 6.2871 8.1735 8.2762 8.6785 8.6981 9.2116 9.2679 9.7539 9.8018 11.1854 11.2019 11.5639 11.5893 12.0279 12.0309 k = 0.5000 0.3071 0.4537 ( 2944 PWs) bands (ev): -25.9062 -25.9062 -8.7817 -8.7747 -7.6854 -7.6736 -7.6284 -7.6277 -1.3615 -1.3551 1.3331 1.3447 1.5132 1.5230 4.5432 4.5591 4.9558 5.0692 5.1641 5.2335 5.2446 5.4053 5.8757 6.0360 6.2807 6.2815 8.3337 8.4316 8.7723 8.7924 9.3122 9.3590 9.5897 9.6361 11.1724 11.1886 11.4660 11.4940 12.0113 12.0132 k = 0.5000 0.3071 0.4348 ( 2948 PWs) bands (ev): -25.9064 -25.9064 -8.7808 -8.7739 -7.6859 -7.6742 -7.6255 -7.6247 -1.4117 -1.4052 1.3799 1.3918 1.5184 1.5281 4.5506 4.5706 4.9470 5.0565 5.1882 5.2270 5.2305 5.4329 5.8859 6.0509 6.2766 6.2767 8.4975 8.5906 8.8673 8.8888 9.3916 9.4108 9.4745 9.4840 11.1608 11.1772 11.3692 11.3999 11.9965 11.9974 k = 0.5000 0.3071 0.4159 ( 2952 PWs) bands (ev): -25.9066 -25.9066 -8.7800 -8.7731 -7.6865 -7.6748 -7.6225 -7.6218 -1.4599 -1.4533 1.4274 1.4396 1.5206 1.5300 4.5597 4.5846 4.9385 5.0428 5.2087 5.2166 5.2291 5.4624 5.8970 6.0664 6.2727 6.2734 8.6638 8.7521 8.9612 8.9871 9.2479 9.3171 9.5088 9.5541 11.1499 11.1677 11.2752 11.3079 11.9836 11.9837 k = 0.5000 0.3071 0.3970 ( 2948 PWs) bands (ev): -25.9068 -25.9068 -8.7791 -8.7723 -7.6869 -7.6753 -7.6195 -7.6188 -1.5062 -1.4994 1.4755 1.4881 1.5198 1.5289 4.5703 4.6010 4.9303 5.0289 5.2030 5.2088 5.2557 5.4936 5.9093 6.0824 6.2699 6.2711 8.8303 8.9131 9.0364 9.0778 9.1019 9.1873 9.6018 9.6356 11.1327 11.1604 11.1927 11.2195 11.9717 11.9725 k = 0.5000 0.3071 0.3781 ( 2948 PWs) bands (ev): -25.9070 -25.9069 -8.7783 -8.7715 -7.6874 -7.6759 -7.6165 -7.6159 -1.5504 -1.5436 1.5156 1.5248 1.5249 1.5371 4.5822 4.6195 4.9224 5.0153 5.1897 5.2041 5.2908 5.5264 5.9227 6.0990 6.2684 6.2697 8.9172 8.9607 9.0154 9.0823 9.1932 9.2057 9.6895 9.7113 11.0741 11.1330 11.1586 11.1591 11.9616 11.9631 k = 0.5000 0.3071 0.3592 ( 2958 PWs) bands (ev): -25.9071 -25.9071 -8.7774 -8.7708 -7.6878 -7.6765 -7.6136 -7.6130 -1.5926 -1.5857 1.5101 1.5185 1.5734 1.5862 4.5949 4.6397 4.9147 5.0021 5.1767 5.1989 5.3297 5.5608 5.9376 6.1160 6.2684 6.2694 8.7728 8.8229 9.1714 9.2292 9.3018 9.3126 9.7699 9.7778 10.9956 11.0581 11.1547 11.1571 11.9533 11.9554 k = 0.5000 0.3071 0.3403 ( 2962 PWs) bands (ev): -25.9073 -25.9073 -8.7766 -8.7701 -7.6881 -7.6771 -7.6107 -7.6101 -1.6327 -1.6259 1.5020 1.5100 1.6225 1.6354 4.6082 4.6613 4.9072 4.9895 5.1641 5.1937 5.3719 5.5966 5.9542 6.1334 6.2705 6.2705 8.6232 8.6778 9.3250 9.3563 9.4204 9.4470 9.8326 9.8416 10.9234 10.9924 11.1590 11.1607 11.9466 11.9493 k = 0.5000 0.3071 0.3214 ( 2958 PWs) bands (ev): -25.9075 -25.9075 -8.7757 -8.7694 -7.6884 -7.6777 -7.6078 -7.6073 -1.6707 -1.6639 1.4920 1.4996 1.6716 1.6845 4.6218 4.6839 4.8998 4.9777 5.1518 5.1884 5.4170 5.6335 5.9730 6.1512 6.2730 6.2750 8.4764 8.5343 9.4592 9.4681 9.5529 9.5884 9.8759 9.9063 10.8643 10.9405 11.1697 11.1699 11.9415 11.9447 k = 0.5000 0.3071 0.3025 ( 2954 PWs) bands (ev): -25.9077 -25.9076 -8.7749 -8.7688 -7.6886 -7.6783 -7.6050 -7.6046 -1.7065 -1.6999 1.4806 1.4877 1.7203 1.7333 4.6354 4.7070 4.8925 4.9665 5.1398 5.1830 5.4647 5.6709 5.9945 6.1690 6.2772 6.2824 8.3333 8.3941 9.5731 9.5775 9.6785 9.7082 9.9195 9.9760 10.8225 10.9046 11.1856 11.1883 11.9380 11.9414 k = 0.5000 0.3071 0.2836 ( 2948 PWs) bands (ev): -25.9078 -25.9078 -8.7741 -8.7682 -7.6888 -7.6789 -7.6023 -7.6019 -1.7403 -1.7338 1.4680 1.4746 1.7684 1.7813 4.6487 4.7302 4.8854 4.9562 5.1281 5.1775 5.5145 5.7081 6.0193 6.1868 6.2833 6.2933 8.1942 8.2577 9.6665 9.6880 9.7483 9.7826 10.0013 10.0746 10.8003 10.8850 11.2101 11.2158 11.9358 11.9394 k = 0.5000 0.3071 0.2647 ( 2940 PWs) bands (ev): -25.9080 -25.9080 -8.7733 -8.7676 -7.6890 -7.6795 -7.5997 -7.5994 -1.7719 -1.7656 1.4545 1.4607 1.8157 1.8285 4.6615 4.7532 4.8783 4.9468 5.1168 5.1716 5.5654 5.7442 6.0482 6.2047 6.2915 6.3082 8.0593 8.1256 9.7125 9.7353 9.8077 9.8451 10.1310 10.2030 10.7958 10.8793 11.2451 11.2544 11.9347 11.9383 k = 0.5000 0.3071 0.2458 ( 2940 PWs) bands (ev): -25.9081 -25.9081 -8.7725 -8.7671 -7.6891 -7.6801 -7.5972 -7.5969 -1.8013 -1.7953 1.4405 1.4463 1.8620 1.8745 4.6737 4.7755 4.8713 4.9383 5.1057 5.1654 5.6166 5.7780 6.0815 6.2228 6.3021 6.3272 7.9288 7.9979 9.6893 9.6934 9.9164 9.9386 10.2759 10.3417 10.8041 10.8832 11.2926 11.3062 11.9344 11.9378 k = 0.5000 0.3071 0.2269 ( 2936 PWs) bands (ev): -25.9083 -25.9082 -8.7717 -8.7667 -7.6891 -7.6807 -7.5948 -7.5946 -1.8285 -1.8228 1.4263 1.4316 1.9068 1.9190 4.6852 4.7967 4.8646 4.9308 5.0950 5.1588 5.6669 5.8088 6.1195 6.2420 6.3156 6.3506 7.8029 7.8749 9.6285 9.6308 10.0276 10.0449 10.4192 10.4782 10.8200 10.8927 11.3537 11.3725 11.9346 11.9373 k = 0.5000 0.3071 0.2079 ( 2940 PWs) bands (ev): -25.9084 -25.9084 -8.7710 -8.7663 -7.6892 -7.6812 -7.5925 -7.5923 -1.8536 -1.8482 1.4122 1.4170 1.9498 1.9617 4.6960 4.8157 4.8591 4.9245 5.0845 5.1518 5.7151 5.8360 6.1617 6.2629 6.3325 6.3781 7.6819 7.7568 9.5510 9.5552 10.1395 10.1552 10.5532 10.6053 10.8396 10.9051 11.4290 11.4536 11.9345 11.9363 k = 0.5000 0.3071 0.1890 ( 2940 PWs) bands (ev): -25.9085 -25.9085 -8.7703 -8.7659 -7.6891 -7.6818 -7.5904 -7.5903 -1.8764 -1.8714 1.3985 1.4028 1.9908 2.0022 4.7059 4.8293 4.8578 4.9193 5.0745 5.1444 5.7600 5.8596 6.2070 6.2864 6.3536 6.4096 7.5658 7.6437 9.4664 9.4706 10.2520 10.2673 10.6726 10.7170 10.8631 10.9203 11.5178 11.5484 11.9332 11.9336 k = 0.5000 0.3071 0.1701 ( 2930 PWs) bands (ev): -25.9086 -25.9086 -8.7696 -8.7657 -7.6890 -7.6824 -7.5885 -7.5884 -1.8971 -1.8925 1.3853 1.3892 2.0295 2.0402 4.7151 4.8316 4.8666 4.9154 5.0651 5.1366 5.8007 5.8799 6.2534 6.3129 6.3798 6.4448 7.4548 7.5359 9.3786 9.3821 10.3649 10.3805 10.7714 10.8017 10.8997 10.9416 11.6181 11.6543 11.9278 11.9293 k = 0.5000 0.3071 0.1512 ( 2930 PWs) bands (ev): -25.9087 -25.9087 -8.7690 -8.7654 -7.6889 -7.6829 -7.5867 -7.5866 -1.9156 -1.9114 1.3729 1.3764 2.0654 2.0753 4.7235 4.8270 4.8809 4.9128 5.0563 5.1284 5.8360 5.8970 6.2990 6.3427 6.4118 6.4832 7.3490 7.4334 9.2907 9.2932 10.4780 10.4942 10.8402 10.8457 10.9622 10.9777 11.7268 11.7672 11.9170 11.9212 k = 0.5000 0.3071 0.1323 ( 2922 PWs) bands (ev): -25.9088 -25.9088 -8.7684 -8.7652 -7.6888 -7.6835 -7.5851 -7.5851 -1.9318 -1.9281 1.3616 1.3646 2.0982 2.1072 4.7312 4.8206 4.8953 4.9115 5.0485 5.1198 5.8659 5.9114 6.3426 6.3757 6.4492 6.5242 7.2487 7.3365 9.2053 9.2067 10.5911 10.6079 10.8667 10.8764 11.0318 11.0340 11.8381 11.8763 11.9044 11.9072 k = 0.5000 0.3071 0.1134 ( 2912 PWs) bands (ev): -25.9089 -25.9089 -8.7679 -8.7651 -7.6886 -7.6840 -7.5837 -7.5837 -1.9459 -1.9426 1.3514 1.3540 2.1275 2.1356 4.7382 4.8137 4.9083 4.9116 5.0420 5.1108 5.8903 5.9234 6.3844 6.4114 6.4902 6.5669 7.1539 7.2451 9.1246 9.1251 10.7035 10.7207 10.8806 10.8938 11.0914 11.1007 11.8641 11.8756 11.9552 11.9989 k = 0.5000 0.3071 0.0945 ( 2908 PWs) bands (ev): -25.9089 -25.9089 -8.7674 -8.7650 -7.6884 -7.6845 -7.5826 -7.5825 -1.9577 -1.9550 1.3426 1.3448 2.1532 2.1601 4.7447 4.8067 4.9128 4.9190 5.0374 5.1014 5.9098 5.9331 6.4258 6.4491 6.5315 6.6098 7.0649 7.1597 9.0507 9.0510 10.8140 10.8289 10.8948 10.9046 11.1470 11.1590 11.8198 11.8375 12.0580 12.1027 k = 0.5000 0.3071 0.0756 ( 2900 PWs) bands (ev): -25.9090 -25.9090 -8.7669 -8.7650 -7.6881 -7.6850 -7.5816 -7.5815 -1.9674 -1.9651 1.3353 1.3370 2.1747 2.1804 4.7508 4.7998 4.9150 4.9270 5.0353 5.0919 5.9248 5.9408 6.4682 6.4877 6.5698 6.6517 6.9820 7.0803 8.9859 8.9866 10.8868 10.8968 10.9376 10.9553 11.1951 11.2083 11.7607 11.7833 12.1480 12.1913 k = 0.5000 0.3071 0.0567 ( 2894 PWs) bands (ev): -25.9090 -25.9090 -8.7665 -8.7651 -7.6878 -7.6854 -7.5808 -7.5808 -1.9748 -1.9731 1.3295 1.3308 2.1920 2.1963 4.7567 4.7930 4.9182 4.9317 5.0361 5.0822 5.9360 5.9464 6.5121 6.5259 6.6020 6.6907 6.9061 7.0076 8.9327 8.9335 10.8969 10.9067 11.0384 11.0581 11.2350 11.2489 11.6893 11.7152 12.2183 12.2576 k = 0.5000 0.3071 0.0378 ( 2894 PWs) bands (ev): -25.9091 -25.9091 -8.7661 -8.7652 -7.6875 -7.6859 -7.5802 -7.5802 -1.9800 -1.9789 1.3254 1.3262 2.2047 2.2076 4.7624 4.7865 4.9219 4.9332 5.0398 5.0724 5.9439 5.9501 6.5564 6.5609 6.6270 6.7232 6.8414 6.9421 8.8931 8.8939 10.9022 10.9089 11.1388 11.1551 11.2669 11.2824 11.6106 11.6377 12.2666 12.2979 k = 0.5000 0.3071 0.0189 ( 2914 PWs) bands (ev): -25.9091 -25.9091 -8.7658 -8.7653 -7.6871 -7.6863 -7.5799 -7.5799 -1.9831 -1.9825 1.3230 1.3234 2.2126 2.2141 4.7681 4.7801 4.9257 4.9321 5.0460 5.0628 5.9488 5.9517 6.5887 6.5929 6.6504 6.7273 6.8118 6.8848 8.8688 8.8692 10.9058 10.9092 11.2201 11.2269 11.2968 11.3151 11.5365 11.5594 12.2958 12.3128 k = 0.5000 0.3071 0.0000 ( 2908 PWs) bands (ev): -25.9091 -25.9091 -8.7655 -8.7655 -7.6867 -7.6867 -7.5798 -7.5798 -1.9839 -1.9839 1.3223 1.3223 2.2158 2.2158 4.7740 4.7740 4.9293 4.9293 5.0539 5.0539 5.9515 5.9515 6.6029 6.6029 6.6880 6.6880 6.8380 6.8380 8.8607 8.8607 10.9081 10.9081 11.2501 11.2501 11.3298 11.3298 11.5080 11.5080 12.3099 12.3099 k = 0.0000 0.0000 0.9553 ( 2924 PWs) bands (ev): -25.9029 -25.9029 -8.7921 -8.7921 -7.6755 -7.6755 -7.6662 -7.6662 0.2661 0.2661 0.5373 0.5373 0.6595 0.6595 4.2109 4.2109 4.8052 4.8052 5.5400 5.5400 5.7534 5.7534 6.0279 6.0279 6.2224 6.2224 6.8194 6.8194 7.2313 7.2313 7.2603 7.2603 11.5904 11.5904 12.1527 12.1527 13.3374 13.3374 13.4849 13.4849 k = 0.0156 0.0096 0.9553 ( 2924 PWs) bands (ev): -25.9029 -25.9029 -8.7921 -8.7921 -7.6755 -7.6755 -7.6662 -7.6662 0.2662 0.2662 0.5376 0.5376 0.6592 0.6592 4.2077 4.2077 4.8086 4.8086 5.5402 5.5402 5.7537 5.7537 6.0282 6.0282 6.2210 6.2210 6.8212 6.8212 7.2316 7.2316 7.2598 7.2598 11.5805 11.5805 12.1546 12.1546 13.3488 13.3488 13.4785 13.4785 k = 0.0312 0.0192 0.9553 ( 2924 PWs) bands (ev): -25.9029 -25.9029 -8.7921 -8.7921 -7.6755 -7.6755 -7.6663 -7.6663 0.2665 0.2665 0.5385 0.5385 0.6583 0.6583 4.1984 4.1984 4.8184 4.8184 5.5408 5.5408 5.7548 5.7548 6.0289 6.0289 6.2168 6.2168 6.8264 6.8264 7.2323 7.2323 7.2586 7.2586 11.5519 11.5519 12.1603 12.1603 13.3808 13.3808 13.4609 13.4609 k = 0.0469 0.0288 0.9553 ( 2920 PWs) bands (ev): -25.9029 -25.9029 -8.7921 -8.7921 -7.6754 -7.6754 -7.6663 -7.6663 0.2669 0.2669 0.5398 0.5398 0.6569 0.6569 4.1840 4.1840 4.8338 4.8338 5.5417 5.5417 5.7567 5.7567 6.0301 6.0301 6.2101 6.2101 6.8350 6.8350 7.2330 7.2330 7.2568 7.2568 11.5074 11.5074 12.1699 12.1699 13.4106 13.4106 13.4528 13.4528 k = 0.0625 0.0384 0.9553 ( 2914 PWs) bands (ev): -25.9029 -25.9029 -8.7921 -8.7921 -7.6753 -7.6753 -7.6664 -7.6664 0.2675 0.2675 0.5417 0.5417 0.6549 0.6549 4.1655 4.1655 4.8534 4.8534 5.5430 5.5430 5.7592 5.7592 6.0318 6.0318 6.2012 6.2012 6.8466 6.8466 7.2329 7.2329 7.2555 7.2555 11.4509 11.4509 12.1832 12.1832 13.3793 13.3793 13.5102 13.5102 k = 0.0781 0.0480 0.9553 ( 2918 PWs) bands (ev): -25.9029 -25.9029 -8.7921 -8.7921 -7.6752 -7.6752 -7.6665 -7.6665 0.2682 0.2682 0.5442 0.5442 0.6523 0.6523 4.1444 4.1444 4.8758 4.8758 5.5445 5.5445 5.7625 5.7625 6.0337 6.0337 6.1905 6.1905 6.8607 6.8607 7.2307 7.2307 7.2557 7.2557 11.3861 11.3861 12.2003 12.2003 13.3308 13.3308 13.5864 13.5864 k = 0.0938 0.0576 0.9553 ( 2920 PWs) bands (ev): -25.9029 -25.9029 -8.7921 -8.7921 -7.6751 -7.6751 -7.6666 -7.6666 0.2691 0.2691 0.5471 0.5471 0.6493 0.6493 4.1218 4.1218 4.8998 4.8998 5.5462 5.5462 5.7664 5.7664 6.0357 6.0357 6.1786 6.1786 6.8770 6.8770 7.2257 7.2257 7.2580 7.2580 11.3169 11.3169 12.2212 12.2212 13.2749 13.2749 13.6684 13.6684 k = 0.1094 0.0672 0.9553 ( 2912 PWs) bands (ev): -25.9029 -25.9029 -8.7921 -8.7921 -7.6750 -7.6750 -7.6668 -7.6668 0.2700 0.2700 0.5504 0.5504 0.6458 0.6458 4.0989 4.0989 4.9242 4.9242 5.5481 5.5481 5.7710 5.7710 6.0379 6.0379 6.1660 6.1660 6.8951 6.8951 7.2183 7.2183 7.2619 7.2619 11.2463 11.2463 12.2459 12.2459 13.2140 13.2140 13.7508 13.7508 k = 0.1250 0.0768 0.9553 ( 2918 PWs) bands (ev): -25.9029 -25.9029 -8.7921 -8.7921 -7.6748 -7.6748 -7.6669 -7.6669 0.2709 0.2709 0.5542 0.5542 0.6419 0.6419 4.0764 4.0764 4.9481 4.9481 5.5501 5.5501 5.7761 5.7761 6.0396 6.0396 6.1533 6.1533 6.9146 6.9146 7.2090 7.2090 7.2667 7.2667 11.1769 11.1769 12.2744 12.2744 13.1497 13.1497 13.8293 13.8293 k = 0.1406 0.0864 0.9553 ( 2922 PWs) bands (ev): -25.9029 -25.9029 -8.7921 -8.7921 -7.6747 -7.6747 -7.6671 -7.6671 0.2718 0.2718 0.5583 0.5583 0.6376 0.6376 4.0552 4.0552 4.9706 4.9706 5.5520 5.5520 5.7816 5.7816 6.0409 6.0409 6.1410 6.1410 6.9350 6.9350 7.1981 7.1981 7.2720 7.2720 11.1111 11.1111 12.3066 12.3066 13.0835 13.0835 13.9000 13.9000 k = 0.1562 0.0960 0.9553 ( 2922 PWs) bands (ev): -25.9029 -25.9029 -8.7921 -8.7921 -7.6745 -7.6745 -7.6672 -7.6672 0.2727 0.2727 0.5627 0.5627 0.6330 0.6330 4.0358 4.0358 4.9912 4.9912 5.5540 5.5540 5.7875 5.7875 6.0413 6.0413 6.1299 6.1299 6.9560 6.9560 7.1859 7.1859 7.2774 7.2774 11.0506 11.0506 12.3425 12.3425 13.0164 13.0164 13.9572 13.9572 k = 0.1719 0.1056 0.9553 ( 2922 PWs) bands (ev): -25.9029 -25.9029 -8.7921 -8.7921 -7.6744 -7.6744 -7.6674 -7.6674 0.2736 0.2736 0.5674 0.5674 0.6282 0.6282 4.0186 4.0186 5.0093 5.0093 5.5558 5.5558 5.7934 5.7934 6.0406 6.0406 6.1206 6.1206 6.9773 6.9773 7.1723 7.1723 7.2827 7.2827 10.9968 10.9968 12.3820 12.3820 12.9492 12.9492 13.9717 13.9717 k = 0.1875 0.1152 0.9553 ( 2926 PWs) bands (ev): -25.9029 -25.9029 -8.7921 -8.7921 -7.6742 -7.6742 -7.6676 -7.6676 0.2743 0.2743 0.5721 0.5721 0.6234 0.6234 4.0041 4.0041 5.0245 5.0245 5.5573 5.5573 5.7991 5.7991 6.0387 6.0387 6.1133 6.1133 6.9986 6.9986 7.1577 7.1577 7.2874 7.2874 10.9512 10.9512 12.4250 12.4250 12.8827 12.8827 13.9720 13.9720 k = 0.2031 0.1248 0.9553 ( 2926 PWs) bands (ev): -25.9029 -25.9029 -8.7921 -8.7921 -7.6741 -7.6741 -7.6677 -7.6677 0.2749 0.2749 0.5767 0.5767 0.6187 0.6187 3.9926 3.9926 5.0366 5.0366 5.5586 5.5586 5.8041 5.8041 6.0361 6.0361 6.1083 6.1083 7.0194 7.0194 7.1422 7.1422 7.2913 7.2913 10.9146 10.9146 12.4715 12.4715 12.8175 12.8175 13.9717 13.9717 k = 0.2188 0.1344 0.9553 ( 2926 PWs) bands (ev): -25.9029 -25.9029 -8.7921 -8.7921 -7.6739 -7.6739 -7.6678 -7.6678 0.2753 0.2753 0.5808 0.5808 0.6145 0.6145 3.9842 3.9842 5.0453 5.0453 5.5596 5.5596 5.8082 5.8082 6.0333 6.0333 6.1052 6.1052 7.0392 7.0392 7.1264 7.1264 7.2943 7.2943 10.8879 10.8879 12.5212 12.5212 12.7542 12.7542 13.9714 13.9714 k = 0.2344 0.1440 0.9553 ( 2926 PWs) bands (ev): -25.9029 -25.9029 -8.7921 -8.7921 -7.6738 -7.6738 -7.6679 -7.6679 0.2756 0.2756 0.5838 0.5838 0.6115 0.6115 3.9792 3.9792 5.0506 5.0506 5.5602 5.5602 5.8109 5.8109 6.0312 6.0312 6.1035 6.1035 7.0561 7.0561 7.1118 7.1118 7.2961 7.2961 10.8716 10.8716 12.5737 12.5737 12.6934 12.6934 13.9712 13.9712 k = 0.2500 0.1536 0.9553 ( 2924 PWs) bands (ev): -25.9029 -25.9029 -8.7921 -8.7921 -7.6738 -7.6738 -7.6680 -7.6680 0.2757 0.2757 0.5846 0.5846 0.6106 0.6106 3.9775 3.9775 5.0523 5.0523 5.5604 5.5604 5.8119 5.8119 6.0305 6.0305 6.1030 6.1030 7.0637 7.0637 7.1049 7.1049 7.2967 7.2967 10.8662 10.8662 12.6202 12.6202 12.6442 12.6442 13.9711 13.9711 Writing output data file SrGe3Pd.save init_run : 3.01s CPU 13.60s WALL ( 1 calls) electrons : 401.64s CPU 407.93s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.32s CPU 1.54s WALL ( 1 calls) Called by electrons: c_bands : 401.53s CPU 407.53s WALL ( 1 calls) v_of_rho : 0.11s CPU 0.94s WALL ( 1 calls) v_h : 0.00s CPU 0.03s WALL ( 1 calls) v_xc : 0.09s CPU 0.61s WALL ( 1 calls) newd : 0.58s CPU 0.69s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.36s WALL ( 330 calls) cegterg : 373.94s CPU 376.85s WALL ( 700 calls) Called by sum_band: Called by *egterg: h_psi : 201.29s CPU 207.84s WALL ( 12022 calls) s_psi : 14.96s CPU 15.43s WALL ( 12022 calls) g_psi : 0.33s CPU 0.37s WALL ( 10992 calls) cdiaghg : 121.16s CPU 119.02s WALL ( 11322 calls) cegterg:over : 26.93s CPU 24.17s WALL ( 10992 calls) cegterg:upda : 3.46s CPU 6.05s WALL ( 10992 calls) cegterg:last : 3.80s CPU 4.62s WALL ( 2007 calls) Called by h_psi: h_psi:vloc : 169.97s CPU 175.63s WALL ( 12022 calls) h_psi:vnl : 31.17s CPU 31.79s WALL ( 12022 calls) add_vuspsi : 8.66s CPU 11.84s WALL ( 12022 calls) General routines calbec : 22.48s CPU 19.83s WALL ( 12022 calls) fft : 0.28s CPU 1.19s WALL ( 19 calls) ffts : 0.06s CPU 0.06s WALL ( 4 calls) fftw : 154.48s CPU 156.81s WALL ( 927132 calls) interpolate : 0.10s CPU 0.11s WALL ( 4 calls) davcio : 0.04s CPU 1.62s WALL ( 660 calls) Parallel routines fft_scatter : 101.41s CPU 101.68s WALL ( 927155 calls) PWSCF : 7m22.44s CPU 8m37.68s WALL This run was terminated on: 6:43:54 19Jun2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=