Program PWSCF v.5.1.1 starts on 8Oct2015 at 0:28:32 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: ./NaNO2.save/ 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 34 28 8 734 545 87 Max 35 29 9 736 559 89 Sum 1645 1357 403 35277 26569 4213 bravais-lattice index = 14 lattice parameter (alat) = 8.0430 a.u. unit-cell volume = 358.3042 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 26.00 number of Kohn-Sham states= 34 kinetic-energy cutoff = 67.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.043027 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.652155 celldm(5)= -0.201099 celldm(6)= -0.146746 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.146746 0.989174 0.000000 ) a(3) = ( -0.201099 -0.689126 0.696179 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.148352 0.435710 ) b(2) = ( 0.000000 1.010944 1.000703 ) b(3) = ( 0.000000 0.000000 1.436413 ) PseudoPot. # 1 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Na read from file: /home/autes/Pseudo/Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 13bcaa2858b974004ed12db349b14e76 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1121 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. # 3 for N read from file: /home/autes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 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 atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Na 9.00 22.98980 Na( 1.00) N 5.00 14.00670 N( 1.00) No symmetry found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 459 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021786 k( 2) = ( -0.0055860 0.0048184 0.0111798), wk = 0.0021786 k( 3) = ( -0.0111720 0.0096369 0.0223597), wk = 0.0021786 k( 4) = ( -0.0167580 0.0144553 0.0335395), wk = 0.0021786 k( 5) = ( -0.0223439 0.0192737 0.0447193), wk = 0.0021786 k( 6) = ( -0.0279299 0.0240921 0.0558991), wk = 0.0021786 k( 7) = ( -0.0335159 0.0289106 0.0670790), wk = 0.0021786 k( 8) = ( -0.0391019 0.0337290 0.0782588), wk = 0.0021786 k( 9) = ( -0.0446879 0.0385474 0.0894386), wk = 0.0021786 k( 10) = ( -0.0502739 0.0433658 0.1006184), wk = 0.0021786 k( 11) = ( -0.0558599 0.0481843 0.1117983), wk = 0.0021786 k( 12) = ( -0.0614459 0.0530027 0.1229781), wk = 0.0021786 k( 13) = ( -0.0670318 0.0578211 0.1341579), wk = 0.0021786 k( 14) = ( -0.0726178 0.0626396 0.1453378), wk = 0.0021786 k( 15) = ( -0.0782038 0.0674580 0.1565176), wk = 0.0021786 k( 16) = ( -0.0837898 0.0722764 0.1676974), wk = 0.0021786 k( 17) = ( -0.0893758 0.0770948 0.1788773), wk = 0.0021786 k( 18) = ( -0.0949618 0.0819133 0.1900571), wk = 0.0021786 k( 19) = ( -0.1005478 0.0867317 0.2012369), wk = 0.0021786 k( 20) = ( -0.1061337 0.0915501 0.2124167), wk = 0.0021786 k( 21) = ( -0.1117197 0.0963685 0.2235966), wk = 0.0021786 k( 22) = ( -0.1173057 0.1011870 0.2347764), wk = 0.0021786 k( 23) = ( -0.1228917 0.1060054 0.2459562), wk = 0.0021786 k( 24) = ( -0.1284777 0.1108238 0.2571360), wk = 0.0021786 k( 25) = ( -0.1340637 0.1156423 0.2683159), wk = 0.0021786 k( 26) = ( -0.1396496 0.1204607 0.2794957), wk = 0.0021786 k( 27) = ( -0.1452356 0.1252791 0.2906755), wk = 0.0021786 k( 28) = ( -0.1508216 0.1300975 0.3018553), wk = 0.0021786 k( 29) = ( -0.1564076 0.1349160 0.3130352), wk = 0.0021786 k( 30) = ( -0.1619936 0.1397344 0.3242150), wk = 0.0021786 k( 31) = ( -0.1675796 0.1445528 0.3353948), wk = 0.0021786 k( 32) = ( -0.1731656 0.1493713 0.3465747), wk = 0.0021786 k( 33) = ( -0.1787516 0.1541897 0.3577545), wk = 0.0021786 k( 34) = ( -0.1843375 0.1590081 0.3689343), wk = 0.0021786 k( 35) = ( -0.1899235 0.1638265 0.3801141), wk = 0.0021786 k( 36) = ( -0.1955095 0.1686450 0.3912940), wk = 0.0021786 k( 37) = ( -0.2010955 0.1734634 0.4024738), wk = 0.0021786 k( 38) = ( -0.2066815 0.1782818 0.4136536), wk = 0.0021786 k( 39) = ( -0.2122675 0.1831002 0.4248335), wk = 0.0021786 k( 40) = ( -0.2178535 0.1879187 0.4360133), wk = 0.0021786 k( 41) = ( -0.2234394 0.1927371 0.4471931), wk = 0.0021786 k( 42) = ( -0.2290254 0.1975555 0.4583730), wk = 0.0021786 k( 43) = ( -0.2346114 0.2023740 0.4695528), wk = 0.0021786 k( 44) = ( -0.2401974 0.2071924 0.4807326), wk = 0.0021786 k( 45) = ( -0.2457834 0.2120108 0.4919124), wk = 0.0021786 k( 46) = ( -0.2513694 0.2168292 0.5030923), wk = 0.0021786 k( 47) = ( -0.2569554 0.2216477 0.5142721), wk = 0.0021786 k( 48) = ( -0.2625413 0.2264661 0.5254519), wk = 0.0021786 k( 49) = ( -0.2681273 0.2312845 0.5366317), wk = 0.0021786 k( 50) = ( -0.2737133 0.2361029 0.5478116), wk = 0.0021786 k( 51) = ( -0.2792993 0.2409214 0.5589914), wk = 0.0021786 k( 52) = ( -0.2848853 0.2457398 0.5701712), wk = 0.0021786 k( 53) = ( -0.2904713 0.2505582 0.5813510), wk = 0.0021786 k( 54) = ( -0.2960573 0.2553767 0.5925309), wk = 0.0021786 k( 55) = ( -0.3016432 0.2601951 0.6037107), wk = 0.0021786 k( 56) = ( -0.3072292 0.2650135 0.6148905), wk = 0.0021786 k( 57) = ( -0.3128152 0.2698319 0.6260704), wk = 0.0021786 k( 58) = ( -0.3184012 0.2746504 0.6372502), wk = 0.0021786 k( 59) = ( -0.3239872 0.2794688 0.6484300), wk = 0.0021786 k( 60) = ( -0.3295732 0.2842872 0.6596098), wk = 0.0021786 k( 61) = ( -0.3351592 0.2891056 0.6707897), wk = 0.0021786 k( 62) = ( -0.3407451 0.2939241 0.6819695), wk = 0.0021786 k( 63) = ( -0.3463311 0.2987425 0.6931493), wk = 0.0021786 k( 64) = ( -0.3519171 0.3035609 0.7043292), wk = 0.0021786 k( 65) = ( -0.3519171 0.3035609 0.7043292), wk = 0.0021786 k( 66) = ( -0.3439546 0.2966925 0.7112678), wk = 0.0021786 k( 67) = ( -0.3359921 0.2898241 0.7182065), wk = 0.0021786 k( 68) = ( -0.3359921 0.2898241 0.7182065), wk = 0.0021786 k( 69) = ( -0.3258105 0.2810416 0.7182065), wk = 0.0021786 k( 70) = ( -0.3156289 0.2722590 0.7182065), wk = 0.0021786 k( 71) = ( -0.3054474 0.2634765 0.7182065), wk = 0.0021786 k( 72) = ( -0.2952658 0.2546939 0.7182065), wk = 0.0021786 k( 73) = ( -0.2850842 0.2459114 0.7182065), wk = 0.0021786 k( 74) = ( -0.2749026 0.2371288 0.7182065), wk = 0.0021786 k( 75) = ( -0.2647210 0.2283463 0.7182065), wk = 0.0021786 k( 76) = ( -0.2545395 0.2195637 0.7182065), wk = 0.0021786 k( 77) = ( -0.2443579 0.2107812 0.7182065), wk = 0.0021786 k( 78) = ( -0.2341763 0.2019986 0.7182065), wk = 0.0021786 k( 79) = ( -0.2239947 0.1932161 0.7182065), wk = 0.0021786 k( 80) = ( -0.2138132 0.1844335 0.7182065), wk = 0.0021786 k( 81) = ( -0.2036316 0.1756510 0.7182065), wk = 0.0021786 k( 82) = ( -0.1934500 0.1668684 0.7182065), wk = 0.0021786 k( 83) = ( -0.1832684 0.1580859 0.7182065), wk = 0.0021786 k( 84) = ( -0.1730868 0.1493033 0.7182065), wk = 0.0021786 k( 85) = ( -0.1629053 0.1405208 0.7182065), wk = 0.0021786 k( 86) = ( -0.1527237 0.1317382 0.7182065), wk = 0.0021786 k( 87) = ( -0.1425421 0.1229557 0.7182065), wk = 0.0021786 k( 88) = ( -0.1323605 0.1141731 0.7182065), wk = 0.0021786 k( 89) = ( -0.1221789 0.1053906 0.7182065), wk = 0.0021786 k( 90) = ( -0.1119974 0.0966080 0.7182065), wk = 0.0021786 k( 91) = ( -0.1018158 0.0878255 0.7182065), wk = 0.0021786 k( 92) = ( -0.0916342 0.0790429 0.7182065), wk = 0.0021786 k( 93) = ( -0.0814526 0.0702604 0.7182065), wk = 0.0021786 k( 94) = ( -0.0712711 0.0614778 0.7182065), wk = 0.0021786 k( 95) = ( -0.0610895 0.0526953 0.7182065), wk = 0.0021786 k( 96) = ( -0.0509079 0.0439127 0.7182065), wk = 0.0021786 k( 97) = ( -0.0407263 0.0351302 0.7182065), wk = 0.0021786 k( 98) = ( -0.0305447 0.0263477 0.7182065), wk = 0.0021786 k( 99) = ( -0.0203632 0.0175651 0.7182065), wk = 0.0021786 k( 100) = ( -0.0101816 0.0087826 0.7182065), wk = 0.0021786 k( 101) = ( 0.0000000 0.0000000 0.7182065), wk = 0.0021786 k( 102) = ( 0.0000000 0.0000000 0.7182065), wk = 0.0021786 k( 103) = ( 0.0086207 0.0099939 0.7182065), wk = 0.0021786 k( 104) = ( 0.0172414 0.0199879 0.7182065), wk = 0.0021786 k( 105) = ( 0.0258621 0.0299818 0.7182065), wk = 0.0021786 k( 106) = ( 0.0344828 0.0399757 0.7182065), wk = 0.0021786 k( 107) = ( 0.0431035 0.0499697 0.7182065), wk = 0.0021786 k( 108) = ( 0.0517241 0.0599636 0.7182065), wk = 0.0021786 k( 109) = ( 0.0603448 0.0699575 0.7182065), wk = 0.0021786 k( 110) = ( 0.0689655 0.0799515 0.7182065), wk = 0.0021786 k( 111) = ( 0.0775862 0.0899454 0.7182065), wk = 0.0021786 k( 112) = ( 0.0862069 0.0999394 0.7182065), wk = 0.0021786 k( 113) = ( 0.0948276 0.1099333 0.7182065), wk = 0.0021786 k( 114) = ( 0.1034483 0.1199272 0.7182065), wk = 0.0021786 k( 115) = ( 0.1120690 0.1299212 0.7182065), wk = 0.0021786 k( 116) = ( 0.1206897 0.1399151 0.7182065), wk = 0.0021786 k( 117) = ( 0.1293103 0.1499090 0.7182065), wk = 0.0021786 k( 118) = ( 0.1379310 0.1599030 0.7182065), wk = 0.0021786 k( 119) = ( 0.1465517 0.1698969 0.7182065), wk = 0.0021786 k( 120) = ( 0.1551724 0.1798908 0.7182065), wk = 0.0021786 k( 121) = ( 0.1637931 0.1898848 0.7182065), wk = 0.0021786 k( 122) = ( 0.1724138 0.1998787 0.7182065), wk = 0.0021786 k( 123) = ( 0.1810345 0.2098726 0.7182065), wk = 0.0021786 k( 124) = ( 0.1896552 0.2198666 0.7182065), wk = 0.0021786 k( 125) = ( 0.1982759 0.2298605 0.7182065), wk = 0.0021786 k( 126) = ( 0.2068966 0.2398544 0.7182065), wk = 0.0021786 k( 127) = ( 0.2155172 0.2498484 0.7182065), wk = 0.0021786 k( 128) = ( 0.2241379 0.2598423 0.7182065), wk = 0.0021786 k( 129) = ( 0.2327586 0.2698363 0.7182065), wk = 0.0021786 k( 130) = ( 0.2413793 0.2798302 0.7182065), wk = 0.0021786 k( 131) = ( 0.2500000 0.2898241 0.7182065), wk = 0.0021786 k( 132) = ( 0.2500000 0.2898241 0.7182065), wk = 0.0021786 k( 133) = ( 0.2416667 0.2970124 0.7109447), wk = 0.0021786 k( 134) = ( 0.2333333 0.3042007 0.7036829), wk = 0.0021786 k( 135) = ( 0.2250000 0.3113889 0.6964210), wk = 0.0021786 k( 136) = ( 0.2166667 0.3185772 0.6891592), wk = 0.0021786 k( 137) = ( 0.2083333 0.3257655 0.6818974), wk = 0.0021786 k( 138) = ( 0.2000000 0.3329537 0.6746355), wk = 0.0021786 k( 139) = ( 0.1916667 0.3401420 0.6673737), wk = 0.0021786 k( 140) = ( 0.1833333 0.3473303 0.6601119), wk = 0.0021786 k( 141) = ( 0.1750000 0.3545185 0.6528501), wk = 0.0021786 k( 142) = ( 0.1666667 0.3617068 0.6455882), wk = 0.0021786 k( 143) = ( 0.1583333 0.3688951 0.6383264), wk = 0.0021786 k( 144) = ( 0.1500000 0.3760833 0.6310646), wk = 0.0021786 k( 145) = ( 0.1416667 0.3832716 0.6238027), wk = 0.0021786 k( 146) = ( 0.1333333 0.3904599 0.6165409), wk = 0.0021786 k( 147) = ( 0.1250000 0.3976481 0.6092791), wk = 0.0021786 k( 148) = ( 0.1166667 0.4048364 0.6020172), wk = 0.0021786 k( 149) = ( 0.1083333 0.4120247 0.5947554), wk = 0.0021786 k( 150) = ( 0.1000000 0.4192129 0.5874936), wk = 0.0021786 k( 151) = ( 0.0916667 0.4264012 0.5802317), wk = 0.0021786 k( 152) = ( 0.0833333 0.4335895 0.5729699), wk = 0.0021786 k( 153) = ( 0.0750000 0.4407777 0.5657081), wk = 0.0021786 k( 154) = ( 0.0666667 0.4479660 0.5584462), wk = 0.0021786 k( 155) = ( 0.0583333 0.4551543 0.5511844), wk = 0.0021786 k( 156) = ( 0.0500000 0.4623425 0.5439226), wk = 0.0021786 k( 157) = ( 0.0416667 0.4695308 0.5366607), wk = 0.0021786 k( 158) = ( 0.0333333 0.4767191 0.5293989), wk = 0.0021786 k( 159) = ( 0.0250000 0.4839073 0.5221371), wk = 0.0021786 k( 160) = ( 0.0166667 0.4910956 0.5148753), wk = 0.0021786 k( 161) = ( 0.0083333 0.4982839 0.5076134), wk = 0.0021786 k( 162) = ( 0.0000000 0.5054721 0.5003516), wk = 0.0021786 k( 163) = ( 0.0000000 0.5054721 0.5003516), wk = 0.0021786 k( 164) = ( 0.0103505 0.5114107 0.4943523), wk = 0.0021786 k( 165) = ( 0.0207010 0.5173493 0.4883529), wk = 0.0021786 k( 166) = ( 0.0310515 0.5232878 0.4823536), wk = 0.0021786 k( 167) = ( 0.0414020 0.5292264 0.4763542), wk = 0.0021786 k( 168) = ( 0.0517525 0.5351650 0.4703549), wk = 0.0021786 k( 169) = ( 0.0621030 0.5411035 0.4643555), wk = 0.0021786 k( 170) = ( 0.0724535 0.5470421 0.4583562), wk = 0.0021786 k( 171) = ( 0.0828040 0.5529807 0.4523569), wk = 0.0021786 k( 172) = ( 0.0931545 0.5589192 0.4463575), wk = 0.0021786 k( 173) = ( 0.1035050 0.5648578 0.4403582), wk = 0.0021786 k( 174) = ( 0.1138555 0.5707964 0.4343588), wk = 0.0021786 k( 175) = ( 0.1242060 0.5767349 0.4283595), wk = 0.0021786 k( 176) = ( 0.1345565 0.5826735 0.4223602), wk = 0.0021786 k( 177) = ( 0.1449071 0.5886121 0.4163608), wk = 0.0021786 k( 178) = ( 0.1552575 0.5945506 0.4103615), wk = 0.0021786 k( 179) = ( 0.1656081 0.6004892 0.4043621), wk = 0.0021786 k( 180) = ( 0.1759586 0.6064278 0.3983628), wk = 0.0021786 k( 181) = ( 0.1863091 0.6123663 0.3923635), wk = 0.0021786 k( 182) = ( 0.1966596 0.6183049 0.3863641), wk = 0.0021786 k( 183) = ( 0.2070101 0.6242435 0.3803648), wk = 0.0021786 k( 184) = ( 0.2173606 0.6301820 0.3743654), wk = 0.0021786 k( 185) = ( 0.2277111 0.6361206 0.3683661), wk = 0.0021786 k( 186) = ( 0.2380616 0.6420591 0.3623668), wk = 0.0021786 k( 187) = ( 0.2484121 0.6479977 0.3563674), wk = 0.0021786 k( 188) = ( 0.2587626 0.6539363 0.3503681), wk = 0.0021786 k( 189) = ( 0.2691131 0.6598748 0.3443687), wk = 0.0021786 k( 190) = ( 0.2794636 0.6658134 0.3383694), wk = 0.0021786 k( 191) = ( 0.2898141 0.6717520 0.3323701), wk = 0.0021786 k( 192) = ( 0.3001646 0.6776905 0.3263707), wk = 0.0021786 k( 193) = ( 0.3105151 0.6836291 0.3203714), wk = 0.0021786 k( 194) = ( 0.3208656 0.6895677 0.3143720), wk = 0.0021786 k( 195) = ( 0.3312161 0.6955062 0.3083727), wk = 0.0021786 k( 196) = ( 0.3415666 0.7014448 0.3023734), wk = 0.0021786 k( 197) = ( 0.3519171 0.7073834 0.2963740), wk = 0.0021786 k( 198) = ( 0.3519171 0.7073834 0.2963740), wk = 0.0021786 k( 199) = ( 0.3574017 0.7026524 0.2853972), wk = 0.0021786 k( 200) = ( 0.3628862 0.6979215 0.2744204), wk = 0.0021786 k( 201) = ( 0.3683708 0.6931906 0.2634436), wk = 0.0021786 k( 202) = ( 0.3738553 0.6884596 0.2524668), wk = 0.0021786 k( 203) = ( 0.3793399 0.6837287 0.2414900), wk = 0.0021786 k( 204) = ( 0.3848244 0.6789978 0.2305131), wk = 0.0021786 k( 205) = ( 0.3903090 0.6742669 0.2195363), wk = 0.0021786 k( 206) = ( 0.3957935 0.6695359 0.2085595), wk = 0.0021786 k( 207) = ( 0.4012781 0.6648050 0.1975827), wk = 0.0021786 k( 208) = ( 0.4067626 0.6600741 0.1866059), wk = 0.0021786 k( 209) = ( 0.4122472 0.6553431 0.1756291), wk = 0.0021786 k( 210) = ( 0.4177317 0.6506122 0.1646522), wk = 0.0021786 k( 211) = ( 0.4232163 0.6458813 0.1536754), wk = 0.0021786 k( 212) = ( 0.4287008 0.6411503 0.1426986), wk = 0.0021786 k( 213) = ( 0.4341854 0.6364194 0.1317218), wk = 0.0021786 k( 214) = ( 0.4396699 0.6316885 0.1207450), wk = 0.0021786 k( 215) = ( 0.4451545 0.6269575 0.1097682), wk = 0.0021786 k( 216) = ( 0.4506390 0.6222266 0.0987913), wk = 0.0021786 k( 217) = ( 0.4561236 0.6174957 0.0878145), wk = 0.0021786 k( 218) = ( 0.4616081 0.6127648 0.0768377), wk = 0.0021786 k( 219) = ( 0.4670927 0.6080338 0.0658609), wk = 0.0021786 k( 220) = ( 0.4725772 0.6033029 0.0548841), wk = 0.0021786 k( 221) = ( 0.4780618 0.5985720 0.0439073), wk = 0.0021786 k( 222) = ( 0.4835464 0.5938410 0.0329304), wk = 0.0021786 k( 223) = ( 0.4890309 0.5891101 0.0219536), wk = 0.0021786 k( 224) = ( 0.4945155 0.5843792 0.0109768), wk = 0.0021786 k( 225) = ( 0.5000000 0.5796482 -0.0000000), wk = 0.0021786 k( 226) = ( 0.5000000 0.5796482 -0.0000000), wk = 0.0021786 k( 227) = ( 0.4912281 0.5694790 -0.0000000), wk = 0.0021786 k( 228) = ( 0.4824561 0.5593097 -0.0000000), wk = 0.0021786 k( 229) = ( 0.4736842 0.5491404 -0.0000000), wk = 0.0021786 k( 230) = ( 0.4649123 0.5389712 -0.0000000), wk = 0.0021786 k( 231) = ( 0.4561404 0.5288019 -0.0000000), wk = 0.0021786 k( 232) = ( 0.4473684 0.5186326 -0.0000000), wk = 0.0021786 k( 233) = ( 0.4385965 0.5084634 -0.0000000), wk = 0.0021786 k( 234) = ( 0.4298246 0.4982941 -0.0000000), wk = 0.0021786 k( 235) = ( 0.4210526 0.4881248 -0.0000000), wk = 0.0021786 k( 236) = ( 0.4122807 0.4779556 -0.0000000), wk = 0.0021786 k( 237) = ( 0.4035088 0.4677863 -0.0000000), wk = 0.0021786 k( 238) = ( 0.3947368 0.4576170 -0.0000000), wk = 0.0021786 k( 239) = ( 0.3859649 0.4474478 -0.0000000), wk = 0.0021786 k( 240) = ( 0.3771930 0.4372785 -0.0000000), wk = 0.0021786 k( 241) = ( 0.3684211 0.4271092 -0.0000000), wk = 0.0021786 k( 242) = ( 0.3596491 0.4169400 -0.0000000), wk = 0.0021786 k( 243) = ( 0.3508772 0.4067707 -0.0000000), wk = 0.0021786 k( 244) = ( 0.3421053 0.3966014 -0.0000000), wk = 0.0021786 k( 245) = ( 0.3333333 0.3864322 -0.0000000), wk = 0.0021786 k( 246) = ( 0.3245614 0.3762629 -0.0000000), wk = 0.0021786 k( 247) = ( 0.3157895 0.3660936 -0.0000000), wk = 0.0021786 k( 248) = ( 0.3070175 0.3559244 -0.0000000), wk = 0.0021786 k( 249) = ( 0.2982456 0.3457551 -0.0000000), wk = 0.0021786 k( 250) = ( 0.2894737 0.3355858 -0.0000000), wk = 0.0021786 k( 251) = ( 0.2807018 0.3254166 -0.0000000), wk = 0.0021786 k( 252) = ( 0.2719298 0.3152473 -0.0000000), wk = 0.0021786 k( 253) = ( 0.2631579 0.3050780 -0.0000000), wk = 0.0021786 k( 254) = ( 0.2543860 0.2949088 -0.0000000), wk = 0.0021786 k( 255) = ( 0.2456140 0.2847395 -0.0000000), wk = 0.0021786 k( 256) = ( 0.2368421 0.2745702 -0.0000000), wk = 0.0021786 k( 257) = ( 0.2280702 0.2644010 -0.0000000), wk = 0.0021786 k( 258) = ( 0.2192983 0.2542317 -0.0000000), wk = 0.0021786 k( 259) = ( 0.2105263 0.2440624 -0.0000000), wk = 0.0021786 k( 260) = ( 0.2017544 0.2338932 -0.0000000), wk = 0.0021786 k( 261) = ( 0.1929825 0.2237239 -0.0000000), wk = 0.0021786 k( 262) = ( 0.1842105 0.2135546 -0.0000000), wk = 0.0021786 k( 263) = ( 0.1754386 0.2033854 -0.0000000), wk = 0.0021786 k( 264) = ( 0.1666667 0.1932161 -0.0000000), wk = 0.0021786 k( 265) = ( 0.1578947 0.1830468 -0.0000000), wk = 0.0021786 k( 266) = ( 0.1491228 0.1728776 -0.0000000), wk = 0.0021786 k( 267) = ( 0.1403509 0.1627083 -0.0000000), wk = 0.0021786 k( 268) = ( 0.1315790 0.1525390 -0.0000000), wk = 0.0021786 k( 269) = ( 0.1228070 0.1423697 -0.0000000), wk = 0.0021786 k( 270) = ( 0.1140351 0.1322005 -0.0000000), wk = 0.0021786 k( 271) = ( 0.1052632 0.1220312 -0.0000000), wk = 0.0021786 k( 272) = ( 0.0964912 0.1118619 -0.0000000), wk = 0.0021786 k( 273) = ( 0.0877193 0.1016927 -0.0000000), wk = 0.0021786 k( 274) = ( 0.0789474 0.0915234 -0.0000000), wk = 0.0021786 k( 275) = ( 0.0701754 0.0813541 -0.0000000), wk = 0.0021786 k( 276) = ( 0.0614035 0.0711849 -0.0000000), wk = 0.0021786 k( 277) = ( 0.0526316 0.0610156 -0.0000000), wk = 0.0021786 k( 278) = ( 0.0438597 0.0508463 -0.0000000), wk = 0.0021786 k( 279) = ( 0.0350877 0.0406771 -0.0000000), wk = 0.0021786 k( 280) = ( 0.0263158 0.0305078 -0.0000000), wk = 0.0021786 k( 281) = ( 0.0175439 0.0203385 -0.0000000), wk = 0.0021786 k( 282) = ( 0.0087719 0.0101693 -0.0000000), wk = 0.0021786 k( 283) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021786 k( 284) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021786 k( 285) = ( 0.0084925 -0.0073256 0.0074006), wk = 0.0021786 k( 286) = ( 0.0169851 -0.0146512 0.0148011), wk = 0.0021786 k( 287) = ( 0.0254776 -0.0219768 0.0222017), wk = 0.0021786 k( 288) = ( 0.0339702 -0.0293024 0.0296023), wk = 0.0021786 k( 289) = ( 0.0424627 -0.0366280 0.0370029), wk = 0.0021786 k( 290) = ( 0.0509553 -0.0439536 0.0444034), wk = 0.0021786 k( 291) = ( 0.0594478 -0.0512792 0.0518040), wk = 0.0021786 k( 292) = ( 0.0679403 -0.0586048 0.0592046), wk = 0.0021786 k( 293) = ( 0.0764329 -0.0659304 0.0666051), wk = 0.0021786 k( 294) = ( 0.0849254 -0.0732560 0.0740057), wk = 0.0021786 k( 295) = ( 0.0934180 -0.0805816 0.0814063), wk = 0.0021786 k( 296) = ( 0.1019105 -0.0879072 0.0888068), wk = 0.0021786 k( 297) = ( 0.1104031 -0.0952328 0.0962074), wk = 0.0021786 k( 298) = ( 0.1188956 -0.1025584 0.1036080), wk = 0.0021786 k( 299) = ( 0.1273882 -0.1098840 0.1110086), wk = 0.0021786 k( 300) = ( 0.1358807 -0.1172096 0.1184091), wk = 0.0021786 k( 301) = ( 0.1443732 -0.1245352 0.1258097), wk = 0.0021786 k( 302) = ( 0.1528658 -0.1318608 0.1332103), wk = 0.0021786 k( 303) = ( 0.1613583 -0.1391864 0.1406108), wk = 0.0021786 k( 304) = ( 0.1698509 -0.1465120 0.1480114), wk = 0.0021786 k( 305) = ( 0.1783434 -0.1538376 0.1554120), wk = 0.0021786 k( 306) = ( 0.1868360 -0.1611632 0.1628125), wk = 0.0021786 k( 307) = ( 0.1953285 -0.1684888 0.1702131), wk = 0.0021786 k( 308) = ( 0.2038210 -0.1758144 0.1776137), wk = 0.0021786 k( 309) = ( 0.2123136 -0.1831400 0.1850143), wk = 0.0021786 k( 310) = ( 0.2208061 -0.1904656 0.1924148), wk = 0.0021786 k( 311) = ( 0.2292987 -0.1977912 0.1998154), wk = 0.0021786 k( 312) = ( 0.2377912 -0.2051168 0.2072160), wk = 0.0021786 k( 313) = ( 0.2462838 -0.2124424 0.2146165), wk = 0.0021786 k( 314) = ( 0.2547763 -0.2197680 0.2220171), wk = 0.0021786 k( 315) = ( 0.2632688 -0.2270936 0.2294177), wk = 0.0021786 k( 316) = ( 0.2717614 -0.2344192 0.2368183), wk = 0.0021786 k( 317) = ( 0.2802539 -0.2417448 0.2442188), wk = 0.0021786 k( 318) = ( 0.2887465 -0.2490704 0.2516194), wk = 0.0021786 k( 319) = ( 0.2972390 -0.2563960 0.2590200), wk = 0.0021786 k( 320) = ( 0.3057316 -0.2637216 0.2664205), wk = 0.0021786 k( 321) = ( 0.3142241 -0.2710472 0.2738211), wk = 0.0021786 k( 322) = ( 0.3227166 -0.2783728 0.2812217), wk = 0.0021786 k( 323) = ( 0.3312092 -0.2856984 0.2886222), wk = 0.0021786 k( 324) = ( 0.3397017 -0.2930240 0.2960228), wk = 0.0021786 k( 325) = ( 0.3481943 -0.3003496 0.3034234), wk = 0.0021786 k( 326) = ( 0.3566868 -0.3076752 0.3108240), wk = 0.0021786 k( 327) = ( 0.3651794 -0.3150008 0.3182245), wk = 0.0021786 k( 328) = ( 0.3736719 -0.3223264 0.3256251), wk = 0.0021786 k( 329) = ( 0.3821644 -0.3296520 0.3330257), wk = 0.0021786 k( 330) = ( 0.3906570 -0.3369776 0.3404262), wk = 0.0021786 k( 331) = ( 0.3991495 -0.3443032 0.3478268), wk = 0.0021786 k( 332) = ( 0.4076421 -0.3516288 0.3552274), wk = 0.0021786 k( 333) = ( 0.4161346 -0.3589544 0.3626280), wk = 0.0021786 k( 334) = ( 0.4246272 -0.3662800 0.3700285), wk = 0.0021786 k( 335) = ( 0.4331197 -0.3736056 0.3774291), wk = 0.0021786 k( 336) = ( 0.4416122 -0.3809312 0.3848297), wk = 0.0021786 k( 337) = ( 0.4501048 -0.3882568 0.3922302), wk = 0.0021786 k( 338) = ( 0.4585973 -0.3955824 0.3996308), wk = 0.0021786 k( 339) = ( 0.4670899 -0.4029080 0.4070314), wk = 0.0021786 k( 340) = ( 0.4755824 -0.4102336 0.4144320), wk = 0.0021786 k( 341) = ( 0.4840750 -0.4175592 0.4218325), wk = 0.0021786 k( 342) = ( 0.4840750 -0.4175592 0.4218325), wk = 0.0021786 k( 343) = ( 0.4844731 -0.4052659 0.4167331), wk = 0.0021786 k( 344) = ( 0.4848712 -0.3929725 0.4116336), wk = 0.0021786 k( 345) = ( 0.4852693 -0.3806791 0.4065342), wk = 0.0021786 k( 346) = ( 0.4856675 -0.3683857 0.4014348), wk = 0.0021786 k( 347) = ( 0.4860656 -0.3560923 0.3963353), wk = 0.0021786 k( 348) = ( 0.4864637 -0.3437989 0.3912359), wk = 0.0021786 k( 349) = ( 0.4868618 -0.3315056 0.3861364), wk = 0.0021786 k( 350) = ( 0.4872600 -0.3192122 0.3810370), wk = 0.0021786 k( 351) = ( 0.4876581 -0.3069188 0.3759376), wk = 0.0021786 k( 352) = ( 0.4880562 -0.2946254 0.3708381), wk = 0.0021786 k( 353) = ( 0.4884543 -0.2823320 0.3657387), wk = 0.0021786 k( 354) = ( 0.4888525 -0.2700386 0.3606392), wk = 0.0021786 k( 355) = ( 0.4892506 -0.2577453 0.3555398), wk = 0.0021786 k( 356) = ( 0.4896487 -0.2454519 0.3504404), wk = 0.0021786 k( 357) = ( 0.4900469 -0.2331585 0.3453409), wk = 0.0021786 k( 358) = ( 0.4904450 -0.2208651 0.3402415), wk = 0.0021786 k( 359) = ( 0.4908431 -0.2085717 0.3351421), wk = 0.0021786 k( 360) = ( 0.4912412 -0.1962783 0.3300426), wk = 0.0021786 k( 361) = ( 0.4916394 -0.1839850 0.3249432), wk = 0.0021786 k( 362) = ( 0.4920375 -0.1716916 0.3198437), wk = 0.0021786 k( 363) = ( 0.4924356 -0.1593982 0.3147443), wk = 0.0021786 k( 364) = ( 0.4928337 -0.1471048 0.3096449), wk = 0.0021786 k( 365) = ( 0.4932319 -0.1348114 0.3045454), wk = 0.0021786 k( 366) = ( 0.4936300 -0.1225180 0.2994460), wk = 0.0021786 k( 367) = ( 0.4940281 -0.1102247 0.2943465), wk = 0.0021786 k( 368) = ( 0.4944262 -0.0979313 0.2892471), wk = 0.0021786 k( 369) = ( 0.4948244 -0.0856379 0.2841477), wk = 0.0021786 k( 370) = ( 0.4952225 -0.0733445 0.2790482), wk = 0.0021786 k( 371) = ( 0.4956206 -0.0610511 0.2739488), wk = 0.0021786 k( 372) = ( 0.4960187 -0.0487577 0.2688493), wk = 0.0021786 k( 373) = ( 0.4964169 -0.0364644 0.2637499), wk = 0.0021786 k( 374) = ( 0.4968150 -0.0241710 0.2586505), wk = 0.0021786 k( 375) = ( 0.4972131 -0.0118776 0.2535510), wk = 0.0021786 k( 376) = ( 0.4976113 0.0004158 0.2484516), wk = 0.0021786 k( 377) = ( 0.4980094 0.0127092 0.2433521), wk = 0.0021786 k( 378) = ( 0.4984075 0.0250026 0.2382527), wk = 0.0021786 k( 379) = ( 0.4988056 0.0372959 0.2331533), wk = 0.0021786 k( 380) = ( 0.4992038 0.0495893 0.2280538), wk = 0.0021786 k( 381) = ( 0.4996019 0.0618827 0.2229544), wk = 0.0021786 k( 382) = ( 0.5000000 0.0741761 0.2178550), wk = 0.0021786 k( 383) = ( 0.5000000 0.0741761 0.2178550), wk = 0.0021786 k( 384) = ( 0.4944444 0.0789683 0.2289739), wk = 0.0021786 k( 385) = ( 0.4888889 0.0837605 0.2400928), wk = 0.0021786 k( 386) = ( 0.4833333 0.0885526 0.2512117), wk = 0.0021786 k( 387) = ( 0.4777778 0.0933448 0.2623306), wk = 0.0021786 k( 388) = ( 0.4722222 0.0981370 0.2734496), wk = 0.0021786 k( 389) = ( 0.4666667 0.1029292 0.2845685), wk = 0.0021786 k( 390) = ( 0.4611111 0.1077213 0.2956874), wk = 0.0021786 k( 391) = ( 0.4555556 0.1125135 0.3068063), wk = 0.0021786 k( 392) = ( 0.4500000 0.1173057 0.3179253), wk = 0.0021786 k( 393) = ( 0.4444444 0.1220979 0.3290442), wk = 0.0021786 k( 394) = ( 0.4388889 0.1268901 0.3401631), wk = 0.0021786 k( 395) = ( 0.4333333 0.1316822 0.3512820), wk = 0.0021786 k( 396) = ( 0.4277778 0.1364744 0.3624010), wk = 0.0021786 k( 397) = ( 0.4222222 0.1412666 0.3735199), wk = 0.0021786 k( 398) = ( 0.4166667 0.1460588 0.3846388), wk = 0.0021786 k( 399) = ( 0.4111111 0.1508510 0.3957577), wk = 0.0021786 k( 400) = ( 0.4055556 0.1556431 0.4068767), wk = 0.0021786 k( 401) = ( 0.4000000 0.1604353 0.4179956), wk = 0.0021786 k( 402) = ( 0.3944444 0.1652275 0.4291145), wk = 0.0021786 k( 403) = ( 0.3888889 0.1700197 0.4402334), wk = 0.0021786 k( 404) = ( 0.3833333 0.1748118 0.4513524), wk = 0.0021786 k( 405) = ( 0.3777778 0.1796040 0.4624713), wk = 0.0021786 k( 406) = ( 0.3722222 0.1843962 0.4735902), wk = 0.0021786 k( 407) = ( 0.3666667 0.1891884 0.4847091), wk = 0.0021786 k( 408) = ( 0.3611111 0.1939806 0.4958281), wk = 0.0021786 k( 409) = ( 0.3555556 0.1987727 0.5069470), wk = 0.0021786 k( 410) = ( 0.3500000 0.2035649 0.5180659), wk = 0.0021786 k( 411) = ( 0.3444444 0.2083571 0.5291848), wk = 0.0021786 k( 412) = ( 0.3388889 0.2131493 0.5403038), wk = 0.0021786 k( 413) = ( 0.3333333 0.2179414 0.5514227), wk = 0.0021786 k( 414) = ( 0.3277778 0.2227336 0.5625416), wk = 0.0021786 k( 415) = ( 0.3222222 0.2275258 0.5736605), wk = 0.0021786 k( 416) = ( 0.3166667 0.2323180 0.5847794), wk = 0.0021786 k( 417) = ( 0.3111111 0.2371102 0.5958984), wk = 0.0021786 k( 418) = ( 0.3055556 0.2419023 0.6070173), wk = 0.0021786 k( 419) = ( 0.3000000 0.2466945 0.6181362), wk = 0.0021786 k( 420) = ( 0.2944444 0.2514867 0.6292552), wk = 0.0021786 k( 421) = ( 0.2888889 0.2562789 0.6403741), wk = 0.0021786 k( 422) = ( 0.2833333 0.2610711 0.6514930), wk = 0.0021786 k( 423) = ( 0.2777778 0.2658632 0.6626119), wk = 0.0021786 k( 424) = ( 0.2722222 0.2706554 0.6737308), wk = 0.0021786 k( 425) = ( 0.2666667 0.2754476 0.6848498), wk = 0.0021786 k( 426) = ( 0.2611111 0.2802398 0.6959687), wk = 0.0021786 k( 427) = ( 0.2555556 0.2850319 0.7070876), wk = 0.0021786 k( 428) = ( 0.2500000 0.2898241 0.7182065), wk = 0.0021786 k( 429) = ( 0.3359921 -0.2898241 0.7182065), wk = 0.0021786 k( 430) = ( 0.3414766 -0.2945551 0.7072297), wk = 0.0021786 k( 431) = ( 0.3469612 -0.2992860 0.6962529), wk = 0.0021786 k( 432) = ( 0.3524457 -0.3040169 0.6852761), wk = 0.0021786 k( 433) = ( 0.3579303 -0.3087478 0.6742993), wk = 0.0021786 k( 434) = ( 0.3634148 -0.3134788 0.6633225), wk = 0.0021786 k( 435) = ( 0.3688994 -0.3182097 0.6523457), wk = 0.0021786 k( 436) = ( 0.3743840 -0.3229406 0.6413688), wk = 0.0021786 k( 437) = ( 0.3798685 -0.3276716 0.6303920), wk = 0.0021786 k( 438) = ( 0.3853530 -0.3324025 0.6194152), wk = 0.0021786 k( 439) = ( 0.3908376 -0.3371334 0.6084384), wk = 0.0021786 k( 440) = ( 0.3963221 -0.3418644 0.5974616), wk = 0.0021786 k( 441) = ( 0.4018067 -0.3465953 0.5864848), wk = 0.0021786 k( 442) = ( 0.4072912 -0.3513262 0.5755079), wk = 0.0021786 k( 443) = ( 0.4127758 -0.3560571 0.5645311), wk = 0.0021786 k( 444) = ( 0.4182604 -0.3607881 0.5535543), wk = 0.0021786 k( 445) = ( 0.4237449 -0.3655190 0.5425775), wk = 0.0021786 k( 446) = ( 0.4292295 -0.3702499 0.5316007), wk = 0.0021786 k( 447) = ( 0.4347140 -0.3749809 0.5206239), wk = 0.0021786 k( 448) = ( 0.4401986 -0.3797118 0.5096470), wk = 0.0021786 k( 449) = ( 0.4456831 -0.3844427 0.4986702), wk = 0.0021786 k( 450) = ( 0.4511677 -0.3891737 0.4876934), wk = 0.0021786 k( 451) = ( 0.4566522 -0.3939046 0.4767166), wk = 0.0021786 k( 452) = ( 0.4621368 -0.3986355 0.4657398), wk = 0.0021786 k( 453) = ( 0.4676213 -0.4033665 0.4547630), wk = 0.0021786 k( 454) = ( 0.4731059 -0.4080974 0.4437861), wk = 0.0021786 k( 455) = ( 0.4785904 -0.4128283 0.4328093), wk = 0.0021786 k( 456) = ( 0.4840750 -0.4175592 0.4218325), wk = 0.0021786 k( 457) = ( 0.5159250 0.5659114 0.0138774), wk = 0.0021786 k( 458) = ( 0.5079625 0.5727798 0.0069387), wk = 0.0021786 k( 459) = ( 0.5000000 0.5796482 -0.0000000), wk = 0.0021786 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021786 k( 2) = ( -0.0055860 0.0055860 0.0055860), wk = 0.0021786 k( 3) = ( -0.0111720 0.0111720 0.0111720), wk = 0.0021786 k( 4) = ( -0.0167580 0.0167580 0.0167580), wk = 0.0021786 k( 5) = ( -0.0223439 0.0223439 0.0223439), wk = 0.0021786 k( 6) = ( -0.0279299 0.0279299 0.0279299), wk = 0.0021786 k( 7) = ( -0.0335159 0.0335159 0.0335159), wk = 0.0021786 k( 8) = ( -0.0391019 0.0391019 0.0391019), wk = 0.0021786 k( 9) = ( -0.0446879 0.0446879 0.0446879), wk = 0.0021786 k( 10) = ( -0.0502739 0.0502739 0.0502739), wk = 0.0021786 k( 11) = ( -0.0558599 0.0558599 0.0558599), wk = 0.0021786 k( 12) = ( -0.0614459 0.0614459 0.0614459), wk = 0.0021786 k( 13) = ( -0.0670318 0.0670318 0.0670318), wk = 0.0021786 k( 14) = ( -0.0726178 0.0726178 0.0726178), wk = 0.0021786 k( 15) = ( -0.0782038 0.0782038 0.0782038), wk = 0.0021786 k( 16) = ( -0.0837898 0.0837898 0.0837898), wk = 0.0021786 k( 17) = ( -0.0893758 0.0893758 0.0893758), wk = 0.0021786 k( 18) = ( -0.0949618 0.0949618 0.0949618), wk = 0.0021786 k( 19) = ( -0.1005478 0.1005478 0.1005478), wk = 0.0021786 k( 20) = ( -0.1061337 0.1061337 0.1061337), wk = 0.0021786 k( 21) = ( -0.1117197 0.1117197 0.1117197), wk = 0.0021786 k( 22) = ( -0.1173057 0.1173057 0.1173057), wk = 0.0021786 k( 23) = ( -0.1228917 0.1228917 0.1228917), wk = 0.0021786 k( 24) = ( -0.1284777 0.1284777 0.1284777), wk = 0.0021786 k( 25) = ( -0.1340637 0.1340637 0.1340637), wk = 0.0021786 k( 26) = ( -0.1396496 0.1396497 0.1396496), wk = 0.0021786 k( 27) = ( -0.1452356 0.1452356 0.1452356), wk = 0.0021786 k( 28) = ( -0.1508216 0.1508216 0.1508216), wk = 0.0021786 k( 29) = ( -0.1564076 0.1564076 0.1564076), wk = 0.0021786 k( 30) = ( -0.1619936 0.1619936 0.1619936), wk = 0.0021786 k( 31) = ( -0.1675796 0.1675796 0.1675796), wk = 0.0021786 k( 32) = ( -0.1731656 0.1731656 0.1731656), wk = 0.0021786 k( 33) = ( -0.1787516 0.1787516 0.1787516), wk = 0.0021786 k( 34) = ( -0.1843375 0.1843375 0.1843375), wk = 0.0021786 k( 35) = ( -0.1899235 0.1899235 0.1899235), wk = 0.0021786 k( 36) = ( -0.1955095 0.1955095 0.1955095), wk = 0.0021786 k( 37) = ( -0.2010955 0.2010955 0.2010955), wk = 0.0021786 k( 38) = ( -0.2066815 0.2066815 0.2066815), wk = 0.0021786 k( 39) = ( -0.2122675 0.2122675 0.2122675), wk = 0.0021786 k( 40) = ( -0.2178535 0.2178535 0.2178535), wk = 0.0021786 k( 41) = ( -0.2234394 0.2234394 0.2234394), wk = 0.0021786 k( 42) = ( -0.2290254 0.2290254 0.2290254), wk = 0.0021786 k( 43) = ( -0.2346114 0.2346114 0.2346114), wk = 0.0021786 k( 44) = ( -0.2401974 0.2401974 0.2401974), wk = 0.0021786 k( 45) = ( -0.2457834 0.2457834 0.2457834), wk = 0.0021786 k( 46) = ( -0.2513694 0.2513694 0.2513694), wk = 0.0021786 k( 47) = ( -0.2569554 0.2569554 0.2569554), wk = 0.0021786 k( 48) = ( -0.2625413 0.2625413 0.2625413), wk = 0.0021786 k( 49) = ( -0.2681273 0.2681273 0.2681273), wk = 0.0021786 k( 50) = ( -0.2737133 0.2737133 0.2737133), wk = 0.0021786 k( 51) = ( -0.2792993 0.2792993 0.2792993), wk = 0.0021786 k( 52) = ( -0.2848853 0.2848853 0.2848853), wk = 0.0021786 k( 53) = ( -0.2904713 0.2904713 0.2904713), wk = 0.0021786 k( 54) = ( -0.2960573 0.2960573 0.2960573), wk = 0.0021786 k( 55) = ( -0.3016432 0.3016432 0.3016432), wk = 0.0021786 k( 56) = ( -0.3072292 0.3072292 0.3072292), wk = 0.0021786 k( 57) = ( -0.3128152 0.3128152 0.3128152), wk = 0.0021786 k( 58) = ( -0.3184012 0.3184012 0.3184012), wk = 0.0021786 k( 59) = ( -0.3239872 0.3239872 0.3239872), wk = 0.0021786 k( 60) = ( -0.3295732 0.3295732 0.3295732), wk = 0.0021786 k( 61) = ( -0.3351592 0.3351592 0.3351592), wk = 0.0021786 k( 62) = ( -0.3407451 0.3407452 0.3407451), wk = 0.0021786 k( 63) = ( -0.3463311 0.3463311 0.3463311), wk = 0.0021786 k( 64) = ( -0.3519171 0.3519171 0.3519171), wk = 0.0021786 k( 65) = ( -0.3519171 0.3519171 0.3519171), wk = 0.0021786 k( 66) = ( -0.3439546 0.3439546 0.3598796), wk = 0.0021786 k( 67) = ( -0.3359921 0.3359921 0.3678421), wk = 0.0021786 k( 68) = ( -0.3359921 0.3359921 0.3678421), wk = 0.0021786 k( 69) = ( -0.3258105 0.3258105 0.3718469), wk = 0.0021786 k( 70) = ( -0.3156289 0.3156289 0.3758517), wk = 0.0021786 k( 71) = ( -0.3054474 0.3054474 0.3798565), wk = 0.0021786 k( 72) = ( -0.2952658 0.2952658 0.3838613), wk = 0.0021786 k( 73) = ( -0.2850842 0.2850842 0.3878661), wk = 0.0021786 k( 74) = ( -0.2749026 0.2749026 0.3918708), wk = 0.0021786 k( 75) = ( -0.2647210 0.2647210 0.3958756), wk = 0.0021786 k( 76) = ( -0.2545395 0.2545395 0.3998804), wk = 0.0021786 k( 77) = ( -0.2443579 0.2443579 0.4038852), wk = 0.0021786 k( 78) = ( -0.2341763 0.2341763 0.4078900), wk = 0.0021786 k( 79) = ( -0.2239947 0.2239947 0.4118948), wk = 0.0021786 k( 80) = ( -0.2138132 0.2138132 0.4158995), wk = 0.0021786 k( 81) = ( -0.2036316 0.2036316 0.4199043), wk = 0.0021786 k( 82) = ( -0.1934500 0.1934500 0.4239091), wk = 0.0021786 k( 83) = ( -0.1832684 0.1832684 0.4279139), wk = 0.0021786 k( 84) = ( -0.1730868 0.1730868 0.4319187), wk = 0.0021786 k( 85) = ( -0.1629053 0.1629053 0.4359235), wk = 0.0021786 k( 86) = ( -0.1527237 0.1527237 0.4399283), wk = 0.0021786 k( 87) = ( -0.1425421 0.1425421 0.4439330), wk = 0.0021786 k( 88) = ( -0.1323605 0.1323605 0.4479378), wk = 0.0021786 k( 89) = ( -0.1221789 0.1221789 0.4519426), wk = 0.0021786 k( 90) = ( -0.1119974 0.1119974 0.4559474), wk = 0.0021786 k( 91) = ( -0.1018158 0.1018158 0.4599522), wk = 0.0021786 k( 92) = ( -0.0916342 0.0916342 0.4639569), wk = 0.0021786 k( 93) = ( -0.0814526 0.0814526 0.4679617), wk = 0.0021786 k( 94) = ( -0.0712711 0.0712711 0.4719665), wk = 0.0021786 k( 95) = ( -0.0610895 0.0610895 0.4759713), wk = 0.0021786 k( 96) = ( -0.0509079 0.0509079 0.4799761), wk = 0.0021786 k( 97) = ( -0.0407263 0.0407263 0.4839809), wk = 0.0021786 k( 98) = ( -0.0305447 0.0305447 0.4879857), wk = 0.0021786 k( 99) = ( -0.0203632 0.0203632 0.4919904), wk = 0.0021786 k( 100) = ( -0.0101816 0.0101816 0.4959952), wk = 0.0021786 k( 101) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021786 k( 102) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021786 k( 103) = ( 0.0086207 0.0086207 0.4913793), wk = 0.0021786 k( 104) = ( 0.0172414 0.0172414 0.4827586), wk = 0.0021786 k( 105) = ( 0.0258621 0.0258621 0.4741379), wk = 0.0021786 k( 106) = ( 0.0344828 0.0344828 0.4655172), wk = 0.0021786 k( 107) = ( 0.0431035 0.0431035 0.4568966), wk = 0.0021786 k( 108) = ( 0.0517241 0.0517241 0.4482759), wk = 0.0021786 k( 109) = ( 0.0603448 0.0603448 0.4396552), wk = 0.0021786 k( 110) = ( 0.0689655 0.0689655 0.4310345), wk = 0.0021786 k( 111) = ( 0.0775862 0.0775862 0.4224138), wk = 0.0021786 k( 112) = ( 0.0862069 0.0862069 0.4137931), wk = 0.0021786 k( 113) = ( 0.0948276 0.0948276 0.4051724), wk = 0.0021786 k( 114) = ( 0.1034483 0.1034483 0.3965517), wk = 0.0021786 k( 115) = ( 0.1120690 0.1120690 0.3879310), wk = 0.0021786 k( 116) = ( 0.1206897 0.1206897 0.3793103), wk = 0.0021786 k( 117) = ( 0.1293103 0.1293103 0.3706897), wk = 0.0021786 k( 118) = ( 0.1379310 0.1379310 0.3620690), wk = 0.0021786 k( 119) = ( 0.1465517 0.1465517 0.3534483), wk = 0.0021786 k( 120) = ( 0.1551724 0.1551724 0.3448276), wk = 0.0021786 k( 121) = ( 0.1637931 0.1637931 0.3362069), wk = 0.0021786 k( 122) = ( 0.1724138 0.1724138 0.3275862), wk = 0.0021786 k( 123) = ( 0.1810345 0.1810345 0.3189655), wk = 0.0021786 k( 124) = ( 0.1896552 0.1896552 0.3103448), wk = 0.0021786 k( 125) = ( 0.1982759 0.1982759 0.3017241), wk = 0.0021786 k( 126) = ( 0.2068966 0.2068966 0.2931034), wk = 0.0021786 k( 127) = ( 0.2155172 0.2155172 0.2844828), wk = 0.0021786 k( 128) = ( 0.2241379 0.2241379 0.2758621), wk = 0.0021786 k( 129) = ( 0.2327586 0.2327586 0.2672414), wk = 0.0021786 k( 130) = ( 0.2413793 0.2413793 0.2586207), wk = 0.0021786 k( 131) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0021786 k( 132) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0021786 k( 133) = ( 0.2416667 0.2583333 0.2416667), wk = 0.0021786 k( 134) = ( 0.2333333 0.2666667 0.2333333), wk = 0.0021786 k( 135) = ( 0.2250000 0.2750000 0.2250000), wk = 0.0021786 k( 136) = ( 0.2166667 0.2833333 0.2166667), wk = 0.0021786 k( 137) = ( 0.2083333 0.2916667 0.2083333), wk = 0.0021786 k( 138) = ( 0.2000000 0.3000000 0.2000000), wk = 0.0021786 k( 139) = ( 0.1916667 0.3083333 0.1916667), wk = 0.0021786 k( 140) = ( 0.1833333 0.3166667 0.1833333), wk = 0.0021786 k( 141) = ( 0.1750000 0.3250000 0.1750000), wk = 0.0021786 k( 142) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0021786 k( 143) = ( 0.1583333 0.3416667 0.1583333), wk = 0.0021786 k( 144) = ( 0.1500000 0.3500000 0.1500000), wk = 0.0021786 k( 145) = ( 0.1416667 0.3583333 0.1416667), wk = 0.0021786 k( 146) = ( 0.1333333 0.3666667 0.1333333), wk = 0.0021786 k( 147) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0021786 k( 148) = ( 0.1166667 0.3833333 0.1166667), wk = 0.0021786 k( 149) = ( 0.1083333 0.3916667 0.1083333), wk = 0.0021786 k( 150) = ( 0.1000000 0.4000000 0.1000000), wk = 0.0021786 k( 151) = ( 0.0916667 0.4083333 0.0916667), wk = 0.0021786 k( 152) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0021786 k( 153) = ( 0.0750000 0.4250000 0.0750000), wk = 0.0021786 k( 154) = ( 0.0666667 0.4333333 0.0666667), wk = 0.0021786 k( 155) = ( 0.0583333 0.4416667 0.0583333), wk = 0.0021786 k( 156) = ( 0.0500000 0.4500000 0.0500000), wk = 0.0021786 k( 157) = ( 0.0416667 0.4583333 0.0416667), wk = 0.0021786 k( 158) = ( 0.0333333 0.4666667 0.0333333), wk = 0.0021786 k( 159) = ( 0.0250000 0.4750000 0.0250000), wk = 0.0021786 k( 160) = ( 0.0166667 0.4833333 0.0166667), wk = 0.0021786 k( 161) = ( 0.0083333 0.4916667 0.0083333), wk = 0.0021786 k( 162) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0021786 k( 163) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0021786 k( 164) = ( 0.0103505 0.5043554 -0.0103505), wk = 0.0021786 k( 165) = ( 0.0207010 0.5087108 -0.0207010), wk = 0.0021786 k( 166) = ( 0.0310515 0.5130661 -0.0310515), wk = 0.0021786 k( 167) = ( 0.0414020 0.5174215 -0.0414020), wk = 0.0021786 k( 168) = ( 0.0517525 0.5217769 -0.0517525), wk = 0.0021786 k( 169) = ( 0.0621030 0.5261323 -0.0621030), wk = 0.0021786 k( 170) = ( 0.0724535 0.5304877 -0.0724535), wk = 0.0021786 k( 171) = ( 0.0828040 0.5348430 -0.0828040), wk = 0.0021786 k( 172) = ( 0.0931545 0.5391984 -0.0931545), wk = 0.0021786 k( 173) = ( 0.1035050 0.5435538 -0.1035050), wk = 0.0021786 k( 174) = ( 0.1138555 0.5479092 -0.1138555), wk = 0.0021786 k( 175) = ( 0.1242060 0.5522645 -0.1242060), wk = 0.0021786 k( 176) = ( 0.1345565 0.5566199 -0.1345565), wk = 0.0021786 k( 177) = ( 0.1449071 0.5609753 -0.1449071), wk = 0.0021786 k( 178) = ( 0.1552575 0.5653307 -0.1552576), wk = 0.0021786 k( 179) = ( 0.1656081 0.5696861 -0.1656081), wk = 0.0021786 k( 180) = ( 0.1759586 0.5740414 -0.1759586), wk = 0.0021786 k( 181) = ( 0.1863091 0.5783968 -0.1863091), wk = 0.0021786 k( 182) = ( 0.1966596 0.5827522 -0.1966596), wk = 0.0021786 k( 183) = ( 0.2070101 0.5871076 -0.2070101), wk = 0.0021786 k( 184) = ( 0.2173606 0.5914630 -0.2173606), wk = 0.0021786 k( 185) = ( 0.2277111 0.5958183 -0.2277111), wk = 0.0021786 k( 186) = ( 0.2380616 0.6001737 -0.2380616), wk = 0.0021786 k( 187) = ( 0.2484121 0.6045291 -0.2484121), wk = 0.0021786 k( 188) = ( 0.2587626 0.6088845 -0.2587626), wk = 0.0021786 k( 189) = ( 0.2691131 0.6132399 -0.2691131), wk = 0.0021786 k( 190) = ( 0.2794636 0.6175952 -0.2794636), wk = 0.0021786 k( 191) = ( 0.2898141 0.6219506 -0.2898141), wk = 0.0021786 k( 192) = ( 0.3001646 0.6263060 -0.3001646), wk = 0.0021786 k( 193) = ( 0.3105151 0.6306614 -0.3105151), wk = 0.0021786 k( 194) = ( 0.3208656 0.6350168 -0.3208656), wk = 0.0021786 k( 195) = ( 0.3312161 0.6393721 -0.3312161), wk = 0.0021786 k( 196) = ( 0.3415666 0.6437275 -0.3415666), wk = 0.0021786 k( 197) = ( 0.3519171 0.6480829 -0.3519171), wk = 0.0021786 k( 198) = ( 0.3519171 0.6480829 -0.3519171), wk = 0.0021786 k( 199) = ( 0.3574017 0.6425983 -0.3574017), wk = 0.0021786 k( 200) = ( 0.3628862 0.6371138 -0.3628862), wk = 0.0021786 k( 201) = ( 0.3683708 0.6316292 -0.3683708), wk = 0.0021786 k( 202) = ( 0.3738553 0.6261447 -0.3738553), wk = 0.0021786 k( 203) = ( 0.3793399 0.6206601 -0.3793399), wk = 0.0021786 k( 204) = ( 0.3848244 0.6151756 -0.3848244), wk = 0.0021786 k( 205) = ( 0.3903090 0.6096910 -0.3903090), wk = 0.0021786 k( 206) = ( 0.3957935 0.6042065 -0.3957935), wk = 0.0021786 k( 207) = ( 0.4012781 0.5987219 -0.4012781), wk = 0.0021786 k( 208) = ( 0.4067626 0.5932374 -0.4067626), wk = 0.0021786 k( 209) = ( 0.4122472 0.5877528 -0.4122472), wk = 0.0021786 k( 210) = ( 0.4177317 0.5822683 -0.4177317), wk = 0.0021786 k( 211) = ( 0.4232163 0.5767837 -0.4232163), wk = 0.0021786 k( 212) = ( 0.4287008 0.5712992 -0.4287008), wk = 0.0021786 k( 213) = ( 0.4341854 0.5658146 -0.4341854), wk = 0.0021786 k( 214) = ( 0.4396699 0.5603301 -0.4396699), wk = 0.0021786 k( 215) = ( 0.4451545 0.5548455 -0.4451545), wk = 0.0021786 k( 216) = ( 0.4506390 0.5493610 -0.4506390), wk = 0.0021786 k( 217) = ( 0.4561236 0.5438764 -0.4561236), wk = 0.0021786 k( 218) = ( 0.4616081 0.5383919 -0.4616081), wk = 0.0021786 k( 219) = ( 0.4670927 0.5329073 -0.4670927), wk = 0.0021786 k( 220) = ( 0.4725772 0.5274228 -0.4725772), wk = 0.0021786 k( 221) = ( 0.4780618 0.5219382 -0.4780618), wk = 0.0021786 k( 222) = ( 0.4835464 0.5164536 -0.4835464), wk = 0.0021786 k( 223) = ( 0.4890309 0.5109691 -0.4890309), wk = 0.0021786 k( 224) = ( 0.4945155 0.5054846 -0.4945155), wk = 0.0021786 k( 225) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0021786 k( 226) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0021786 k( 227) = ( 0.4912281 0.4912281 -0.4912281), wk = 0.0021786 k( 228) = ( 0.4824561 0.4824561 -0.4824561), wk = 0.0021786 k( 229) = ( 0.4736842 0.4736842 -0.4736842), wk = 0.0021786 k( 230) = ( 0.4649123 0.4649123 -0.4649123), wk = 0.0021786 k( 231) = ( 0.4561404 0.4561404 -0.4561404), wk = 0.0021786 k( 232) = ( 0.4473684 0.4473684 -0.4473684), wk = 0.0021786 k( 233) = ( 0.4385965 0.4385965 -0.4385965), wk = 0.0021786 k( 234) = ( 0.4298246 0.4298246 -0.4298246), wk = 0.0021786 k( 235) = ( 0.4210526 0.4210526 -0.4210526), wk = 0.0021786 k( 236) = ( 0.4122807 0.4122807 -0.4122807), wk = 0.0021786 k( 237) = ( 0.4035088 0.4035088 -0.4035088), wk = 0.0021786 k( 238) = ( 0.3947368 0.3947368 -0.3947368), wk = 0.0021786 k( 239) = ( 0.3859649 0.3859649 -0.3859649), wk = 0.0021786 k( 240) = ( 0.3771930 0.3771930 -0.3771930), wk = 0.0021786 k( 241) = ( 0.3684211 0.3684211 -0.3684211), wk = 0.0021786 k( 242) = ( 0.3596491 0.3596491 -0.3596491), wk = 0.0021786 k( 243) = ( 0.3508772 0.3508772 -0.3508772), wk = 0.0021786 k( 244) = ( 0.3421053 0.3421053 -0.3421053), wk = 0.0021786 k( 245) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0021786 k( 246) = ( 0.3245614 0.3245614 -0.3245614), wk = 0.0021786 k( 247) = ( 0.3157895 0.3157895 -0.3157895), wk = 0.0021786 k( 248) = ( 0.3070175 0.3070175 -0.3070175), wk = 0.0021786 k( 249) = ( 0.2982456 0.2982456 -0.2982456), wk = 0.0021786 k( 250) = ( 0.2894737 0.2894737 -0.2894737), wk = 0.0021786 k( 251) = ( 0.2807018 0.2807018 -0.2807018), wk = 0.0021786 k( 252) = ( 0.2719298 0.2719298 -0.2719298), wk = 0.0021786 k( 253) = ( 0.2631579 0.2631579 -0.2631579), wk = 0.0021786 k( 254) = ( 0.2543860 0.2543860 -0.2543860), wk = 0.0021786 k( 255) = ( 0.2456140 0.2456140 -0.2456140), wk = 0.0021786 k( 256) = ( 0.2368421 0.2368421 -0.2368421), wk = 0.0021786 k( 257) = ( 0.2280702 0.2280702 -0.2280702), wk = 0.0021786 k( 258) = ( 0.2192983 0.2192983 -0.2192983), wk = 0.0021786 k( 259) = ( 0.2105263 0.2105263 -0.2105263), wk = 0.0021786 k( 260) = ( 0.2017544 0.2017544 -0.2017544), wk = 0.0021786 k( 261) = ( 0.1929825 0.1929825 -0.1929825), wk = 0.0021786 k( 262) = ( 0.1842105 0.1842105 -0.1842105), wk = 0.0021786 k( 263) = ( 0.1754386 0.1754386 -0.1754386), wk = 0.0021786 k( 264) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0021786 k( 265) = ( 0.1578947 0.1578947 -0.1578947), wk = 0.0021786 k( 266) = ( 0.1491228 0.1491228 -0.1491228), wk = 0.0021786 k( 267) = ( 0.1403509 0.1403509 -0.1403509), wk = 0.0021786 k( 268) = ( 0.1315790 0.1315790 -0.1315790), wk = 0.0021786 k( 269) = ( 0.1228070 0.1228070 -0.1228070), wk = 0.0021786 k( 270) = ( 0.1140351 0.1140351 -0.1140351), wk = 0.0021786 k( 271) = ( 0.1052632 0.1052632 -0.1052632), wk = 0.0021786 k( 272) = ( 0.0964912 0.0964912 -0.0964912), wk = 0.0021786 k( 273) = ( 0.0877193 0.0877193 -0.0877193), wk = 0.0021786 k( 274) = ( 0.0789474 0.0789474 -0.0789474), wk = 0.0021786 k( 275) = ( 0.0701754 0.0701754 -0.0701754), wk = 0.0021786 k( 276) = ( 0.0614035 0.0614035 -0.0614035), wk = 0.0021786 k( 277) = ( 0.0526316 0.0526316 -0.0526316), wk = 0.0021786 k( 278) = ( 0.0438597 0.0438597 -0.0438597), wk = 0.0021786 k( 279) = ( 0.0350877 0.0350877 -0.0350877), wk = 0.0021786 k( 280) = ( 0.0263158 0.0263158 -0.0263158), wk = 0.0021786 k( 281) = ( 0.0175439 0.0175439 -0.0175439), wk = 0.0021786 k( 282) = ( 0.0087719 0.0087719 -0.0087719), wk = 0.0021786 k( 283) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021786 k( 284) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021786 k( 285) = ( 0.0084925 -0.0084925 0.0084925), wk = 0.0021786 k( 286) = ( 0.0169851 -0.0169851 0.0169851), wk = 0.0021786 k( 287) = ( 0.0254776 -0.0254776 0.0254776), wk = 0.0021786 k( 288) = ( 0.0339702 -0.0339702 0.0339702), wk = 0.0021786 k( 289) = ( 0.0424627 -0.0424627 0.0424627), wk = 0.0021786 k( 290) = ( 0.0509553 -0.0509553 0.0509553), wk = 0.0021786 k( 291) = ( 0.0594478 -0.0594478 0.0594478), wk = 0.0021786 k( 292) = ( 0.0679403 -0.0679404 0.0679403), wk = 0.0021786 k( 293) = ( 0.0764329 -0.0764329 0.0764329), wk = 0.0021786 k( 294) = ( 0.0849254 -0.0849254 0.0849254), wk = 0.0021786 k( 295) = ( 0.0934180 -0.0934180 0.0934180), wk = 0.0021786 k( 296) = ( 0.1019105 -0.1019105 0.1019105), wk = 0.0021786 k( 297) = ( 0.1104031 -0.1104031 0.1104031), wk = 0.0021786 k( 298) = ( 0.1188956 -0.1188956 0.1188956), wk = 0.0021786 k( 299) = ( 0.1273882 -0.1273882 0.1273882), wk = 0.0021786 k( 300) = ( 0.1358807 -0.1358807 0.1358807), wk = 0.0021786 k( 301) = ( 0.1443732 -0.1443732 0.1443732), wk = 0.0021786 k( 302) = ( 0.1528658 -0.1528658 0.1528658), wk = 0.0021786 k( 303) = ( 0.1613583 -0.1613583 0.1613583), wk = 0.0021786 k( 304) = ( 0.1698509 -0.1698509 0.1698509), wk = 0.0021786 k( 305) = ( 0.1783434 -0.1783434 0.1783434), wk = 0.0021786 k( 306) = ( 0.1868360 -0.1868360 0.1868360), wk = 0.0021786 k( 307) = ( 0.1953285 -0.1953285 0.1953285), wk = 0.0021786 k( 308) = ( 0.2038210 -0.2038210 0.2038210), wk = 0.0021786 k( 309) = ( 0.2123136 -0.2123136 0.2123136), wk = 0.0021786 k( 310) = ( 0.2208061 -0.2208061 0.2208061), wk = 0.0021786 k( 311) = ( 0.2292987 -0.2292987 0.2292987), wk = 0.0021786 k( 312) = ( 0.2377912 -0.2377912 0.2377912), wk = 0.0021786 k( 313) = ( 0.2462838 -0.2462838 0.2462838), wk = 0.0021786 k( 314) = ( 0.2547763 -0.2547763 0.2547763), wk = 0.0021786 k( 315) = ( 0.2632688 -0.2632688 0.2632688), wk = 0.0021786 k( 316) = ( 0.2717614 -0.2717614 0.2717614), wk = 0.0021786 k( 317) = ( 0.2802539 -0.2802539 0.2802539), wk = 0.0021786 k( 318) = ( 0.2887465 -0.2887465 0.2887465), wk = 0.0021786 k( 319) = ( 0.2972390 -0.2972390 0.2972390), wk = 0.0021786 k( 320) = ( 0.3057316 -0.3057316 0.3057316), wk = 0.0021786 k( 321) = ( 0.3142241 -0.3142241 0.3142241), wk = 0.0021786 k( 322) = ( 0.3227166 -0.3227166 0.3227167), wk = 0.0021786 k( 323) = ( 0.3312092 -0.3312092 0.3312092), wk = 0.0021786 k( 324) = ( 0.3397017 -0.3397017 0.3397017), wk = 0.0021786 k( 325) = ( 0.3481943 -0.3481943 0.3481943), wk = 0.0021786 k( 326) = ( 0.3566868 -0.3566868 0.3566868), wk = 0.0021786 k( 327) = ( 0.3651794 -0.3651794 0.3651794), wk = 0.0021786 k( 328) = ( 0.3736719 -0.3736719 0.3736719), wk = 0.0021786 k( 329) = ( 0.3821644 -0.3821645 0.3821645), wk = 0.0021786 k( 330) = ( 0.3906570 -0.3906570 0.3906570), wk = 0.0021786 k( 331) = ( 0.3991495 -0.3991495 0.3991495), wk = 0.0021786 k( 332) = ( 0.4076421 -0.4076421 0.4076421), wk = 0.0021786 k( 333) = ( 0.4161346 -0.4161346 0.4161346), wk = 0.0021786 k( 334) = ( 0.4246272 -0.4246272 0.4246272), wk = 0.0021786 k( 335) = ( 0.4331197 -0.4331197 0.4331197), wk = 0.0021786 k( 336) = ( 0.4416122 -0.4416123 0.4416123), wk = 0.0021786 k( 337) = ( 0.4501048 -0.4501048 0.4501048), wk = 0.0021786 k( 338) = ( 0.4585973 -0.4585973 0.4585973), wk = 0.0021786 k( 339) = ( 0.4670899 -0.4670899 0.4670899), wk = 0.0021786 k( 340) = ( 0.4755824 -0.4755824 0.4755824), wk = 0.0021786 k( 341) = ( 0.4840750 -0.4840750 0.4840750), wk = 0.0021786 k( 342) = ( 0.4840750 -0.4840750 0.4840750), wk = 0.0021786 k( 343) = ( 0.4844731 -0.4719731 0.4719731), wk = 0.0021786 k( 344) = ( 0.4848712 -0.4598712 0.4598712), wk = 0.0021786 k( 345) = ( 0.4852693 -0.4477694 0.4477694), wk = 0.0021786 k( 346) = ( 0.4856675 -0.4356675 0.4356675), wk = 0.0021786 k( 347) = ( 0.4860656 -0.4235656 0.4235656), wk = 0.0021786 k( 348) = ( 0.4864637 -0.4114637 0.4114637), wk = 0.0021786 k( 349) = ( 0.4868618 -0.3993619 0.3993619), wk = 0.0021786 k( 350) = ( 0.4872600 -0.3872600 0.3872600), wk = 0.0021786 k( 351) = ( 0.4876581 -0.3751581 0.3751581), wk = 0.0021786 k( 352) = ( 0.4880562 -0.3630562 0.3630562), wk = 0.0021786 k( 353) = ( 0.4884543 -0.3509544 0.3509544), wk = 0.0021786 k( 354) = ( 0.4888525 -0.3388525 0.3388525), wk = 0.0021786 k( 355) = ( 0.4892506 -0.3267506 0.3267506), wk = 0.0021786 k( 356) = ( 0.4896487 -0.3146487 0.3146487), wk = 0.0021786 k( 357) = ( 0.4900469 -0.3025469 0.3025469), wk = 0.0021786 k( 358) = ( 0.4904450 -0.2904450 0.2904450), wk = 0.0021786 k( 359) = ( 0.4908431 -0.2783431 0.2783431), wk = 0.0021786 k( 360) = ( 0.4912412 -0.2662412 0.2662412), wk = 0.0021786 k( 361) = ( 0.4916394 -0.2541394 0.2541394), wk = 0.0021786 k( 362) = ( 0.4920375 -0.2420375 0.2420375), wk = 0.0021786 k( 363) = ( 0.4924356 -0.2299356 0.2299356), wk = 0.0021786 k( 364) = ( 0.4928337 -0.2178337 0.2178337), wk = 0.0021786 k( 365) = ( 0.4932319 -0.2057319 0.2057319), wk = 0.0021786 k( 366) = ( 0.4936300 -0.1936300 0.1936300), wk = 0.0021786 k( 367) = ( 0.4940281 -0.1815281 0.1815281), wk = 0.0021786 k( 368) = ( 0.4944262 -0.1694262 0.1694262), wk = 0.0021786 k( 369) = ( 0.4948244 -0.1573244 0.1573244), wk = 0.0021786 k( 370) = ( 0.4952225 -0.1452225 0.1452225), wk = 0.0021786 k( 371) = ( 0.4956206 -0.1331206 0.1331206), wk = 0.0021786 k( 372) = ( 0.4960187 -0.1210187 0.1210187), wk = 0.0021786 k( 373) = ( 0.4964169 -0.1089169 0.1089169), wk = 0.0021786 k( 374) = ( 0.4968150 -0.0968150 0.0968150), wk = 0.0021786 k( 375) = ( 0.4972131 -0.0847131 0.0847131), wk = 0.0021786 k( 376) = ( 0.4976113 -0.0726113 0.0726113), wk = 0.0021786 k( 377) = ( 0.4980094 -0.0605094 0.0605094), wk = 0.0021786 k( 378) = ( 0.4984075 -0.0484075 0.0484075), wk = 0.0021786 k( 379) = ( 0.4988056 -0.0363056 0.0363056), wk = 0.0021786 k( 380) = ( 0.4992038 -0.0242037 0.0242037), wk = 0.0021786 k( 381) = ( 0.4996019 -0.0121019 0.0121019), wk = 0.0021786 k( 382) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0021786 k( 383) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0021786 k( 384) = ( 0.4944444 0.0055556 0.0055556), wk = 0.0021786 k( 385) = ( 0.4888889 0.0111111 0.0111111), wk = 0.0021786 k( 386) = ( 0.4833333 0.0166667 0.0166667), wk = 0.0021786 k( 387) = ( 0.4777778 0.0222222 0.0222222), wk = 0.0021786 k( 388) = ( 0.4722222 0.0277778 0.0277778), wk = 0.0021786 k( 389) = ( 0.4666667 0.0333333 0.0333333), wk = 0.0021786 k( 390) = ( 0.4611111 0.0388889 0.0388889), wk = 0.0021786 k( 391) = ( 0.4555556 0.0444444 0.0444444), wk = 0.0021786 k( 392) = ( 0.4500000 0.0500000 0.0500000), wk = 0.0021786 k( 393) = ( 0.4444444 0.0555556 0.0555556), wk = 0.0021786 k( 394) = ( 0.4388889 0.0611111 0.0611111), wk = 0.0021786 k( 395) = ( 0.4333333 0.0666667 0.0666667), wk = 0.0021786 k( 396) = ( 0.4277778 0.0722222 0.0722222), wk = 0.0021786 k( 397) = ( 0.4222222 0.0777778 0.0777778), wk = 0.0021786 k( 398) = ( 0.4166667 0.0833333 0.0833333), wk = 0.0021786 k( 399) = ( 0.4111111 0.0888889 0.0888889), wk = 0.0021786 k( 400) = ( 0.4055556 0.0944444 0.0944444), wk = 0.0021786 k( 401) = ( 0.4000000 0.1000000 0.1000000), wk = 0.0021786 k( 402) = ( 0.3944444 0.1055556 0.1055556), wk = 0.0021786 k( 403) = ( 0.3888889 0.1111111 0.1111111), wk = 0.0021786 k( 404) = ( 0.3833333 0.1166667 0.1166667), wk = 0.0021786 k( 405) = ( 0.3777778 0.1222222 0.1222222), wk = 0.0021786 k( 406) = ( 0.3722222 0.1277778 0.1277778), wk = 0.0021786 k( 407) = ( 0.3666667 0.1333333 0.1333333), wk = 0.0021786 k( 408) = ( 0.3611111 0.1388889 0.1388889), wk = 0.0021786 k( 409) = ( 0.3555556 0.1444444 0.1444444), wk = 0.0021786 k( 410) = ( 0.3500000 0.1500000 0.1500000), wk = 0.0021786 k( 411) = ( 0.3444444 0.1555556 0.1555556), wk = 0.0021786 k( 412) = ( 0.3388889 0.1611111 0.1611111), wk = 0.0021786 k( 413) = ( 0.3333333 0.1666667 0.1666667), wk = 0.0021786 k( 414) = ( 0.3277778 0.1722222 0.1722222), wk = 0.0021786 k( 415) = ( 0.3222222 0.1777778 0.1777778), wk = 0.0021786 k( 416) = ( 0.3166667 0.1833333 0.1833333), wk = 0.0021786 k( 417) = ( 0.3111111 0.1888889 0.1888889), wk = 0.0021786 k( 418) = ( 0.3055556 0.1944444 0.1944444), wk = 0.0021786 k( 419) = ( 0.3000000 0.2000000 0.2000000), wk = 0.0021786 k( 420) = ( 0.2944444 0.2055556 0.2055556), wk = 0.0021786 k( 421) = ( 0.2888889 0.2111111 0.2111111), wk = 0.0021786 k( 422) = ( 0.2833333 0.2166667 0.2166667), wk = 0.0021786 k( 423) = ( 0.2777778 0.2222222 0.2222222), wk = 0.0021786 k( 424) = ( 0.2722222 0.2277778 0.2277778), wk = 0.0021786 k( 425) = ( 0.2666667 0.2333333 0.2333333), wk = 0.0021786 k( 426) = ( 0.2611111 0.2388889 0.2388889), wk = 0.0021786 k( 427) = ( 0.2555556 0.2444444 0.2444444), wk = 0.0021786 k( 428) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0021786 k( 429) = ( 0.3359921 -0.3359921 0.6321579), wk = 0.0021786 k( 430) = ( 0.3414766 -0.3414766 0.6266733), wk = 0.0021786 k( 431) = ( 0.3469612 -0.3469612 0.6211887), wk = 0.0021786 k( 432) = ( 0.3524457 -0.3524457 0.6157042), wk = 0.0021786 k( 433) = ( 0.3579303 -0.3579303 0.6102197), wk = 0.0021786 k( 434) = ( 0.3634148 -0.3634148 0.6047351), wk = 0.0021786 k( 435) = ( 0.3688994 -0.3688994 0.5992506), wk = 0.0021786 k( 436) = ( 0.3743840 -0.3743840 0.5937660), wk = 0.0021786 k( 437) = ( 0.3798685 -0.3798685 0.5882814), wk = 0.0021786 k( 438) = ( 0.3853530 -0.3853531 0.5827969), wk = 0.0021786 k( 439) = ( 0.3908376 -0.3908376 0.5773123), wk = 0.0021786 k( 440) = ( 0.3963221 -0.3963222 0.5718278), wk = 0.0021786 k( 441) = ( 0.4018067 -0.4018067 0.5663432), wk = 0.0021786 k( 442) = ( 0.4072912 -0.4072913 0.5608587), wk = 0.0021786 k( 443) = ( 0.4127758 -0.4127758 0.5553741), wk = 0.0021786 k( 444) = ( 0.4182604 -0.4182604 0.5498896), wk = 0.0021786 k( 445) = ( 0.4237449 -0.4237449 0.5444050), wk = 0.0021786 k( 446) = ( 0.4292295 -0.4292295 0.5389205), wk = 0.0021786 k( 447) = ( 0.4347140 -0.4347140 0.5334359), wk = 0.0021786 k( 448) = ( 0.4401986 -0.4401986 0.5279514), wk = 0.0021786 k( 449) = ( 0.4456831 -0.4456831 0.5224668), wk = 0.0021786 k( 450) = ( 0.4511677 -0.4511677 0.5169823), wk = 0.0021786 k( 451) = ( 0.4566522 -0.4566522 0.5114977), wk = 0.0021786 k( 452) = ( 0.4621368 -0.4621368 0.5060132), wk = 0.0021786 k( 453) = ( 0.4676213 -0.4676213 0.5005286), wk = 0.0021786 k( 454) = ( 0.4731059 -0.4731059 0.4950441), wk = 0.0021786 k( 455) = ( 0.4785904 -0.4785904 0.4895595), wk = 0.0021786 k( 456) = ( 0.4840750 -0.4840750 0.4840750), wk = 0.0021786 k( 457) = ( 0.5159250 0.4840750 -0.4840750), wk = 0.0021786 k( 458) = ( 0.5079625 0.4920375 -0.4920375), wk = 0.0021786 k( 459) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0021786 Dense grid: 35277 G-vectors FFT dimensions: ( 48, 48, 48) Smooth grid: 26569 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.07 Mb ( 144, 34) NL pseudopotentials 0.06 Mb ( 72, 56) Each V/rho on FFT grid 0.04 Mb ( 2304) Each G-vector array 0.01 Mb ( 735) G-vector shells 0.01 Mb ( 712) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.30 Mb ( 144, 136) Each subspace H/S matrix 0.28 Mb ( 136, 136) Each matrix 0.06 Mb ( 56, 2, 34) Check: negative/imaginary core charge= -0.000006 0.000000 The potential is recalculated from file : ./NaNO2.save/charge-density.dat Starting wfc are 34 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 41.6 secs Computing kpt #: 2 total cpu time spent up to now is 42.6 secs Computing kpt #: 3 total cpu time spent up to now is 43.5 secs Computing kpt #: 4 total cpu time spent up to now is 44.3 secs Computing kpt #: 5 total cpu time spent up to now is 45.3 secs Computing kpt #: 6 total cpu time spent up to now is 46.2 secs Computing kpt #: 7 total cpu time spent up to now is 47.0 secs Computing kpt #: 8 total cpu time spent up to now is 47.8 secs Computing kpt #: 9 total cpu time spent up to now is 48.9 secs Computing kpt #: 10 total cpu time spent up to now is 49.7 secs Computing kpt #: 11 total cpu time spent up to now is 50.7 secs Computing kpt #: 12 total cpu time spent up to now is 51.7 secs Computing kpt #: 13 total cpu time spent up to now is 52.8 secs Computing kpt #: 14 total cpu time spent up to now is 54.0 secs Computing kpt #: 15 total cpu time spent up to now is 55.0 secs Computing kpt #: 16 total cpu time spent up to now is 56.1 secs Computing kpt #: 17 total cpu time spent up to now is 57.1 secs Computing kpt #: 18 total cpu time spent up to now is 58.3 secs Computing kpt #: 19 total cpu time spent up to now is 59.4 secs Computing kpt #: 20 total cpu time spent up to now is 60.9 secs Computing kpt #: 21 total cpu time spent up to now is 61.9 secs Computing kpt #: 22 total cpu time spent up to now is 62.9 secs Computing kpt #: 23 total cpu time spent up to now is 63.9 secs Computing kpt #: 24 total cpu time spent up to now is 64.8 secs Computing kpt #: 25 total cpu time spent up to now is 65.8 secs Computing kpt #: 26 total cpu time spent up to now is 66.6 secs Computing kpt #: 27 total cpu time spent up to now is 67.5 secs Computing kpt #: 28 total cpu time spent up to now is 68.4 secs Computing kpt #: 29 total cpu time spent up to now is 69.3 secs Computing kpt #: 30 total cpu time spent up to now is 70.1 secs Computing kpt #: 31 total cpu time spent up to now is 70.9 secs Computing kpt #: 32 total cpu time spent up to now is 71.7 secs Computing kpt #: 33 total cpu time spent up to now is 72.5 secs Computing kpt #: 34 total cpu time spent up to now is 73.2 secs Computing kpt #: 35 total cpu time spent up to now is 73.9 secs Computing kpt #: 36 total cpu time spent up to now is 74.6 secs Computing kpt #: 37 total cpu time spent up to now is 75.2 secs Computing kpt #: 38 total cpu time spent up to now is 76.2 secs Computing kpt #: 39 total cpu time spent up to now is 76.9 secs Computing kpt #: 40 total cpu time spent up to now is 77.6 secs Computing kpt #: 41 total cpu time spent up to now is 78.3 secs Computing kpt #: 42 total cpu time spent up to now is 78.9 secs Computing kpt #: 43 total cpu time spent up to now is 79.7 secs Computing kpt #: 44 total cpu time spent up to now is 80.3 secs Computing kpt #: 45 total cpu time spent up to now is 81.0 secs Computing kpt #: 46 total cpu time spent up to now is 81.7 secs Computing kpt #: 47 total cpu time spent up to now is 82.4 secs Computing kpt #: 48 total cpu time spent up to now is 83.2 secs Computing kpt #: 49 total cpu time spent up to now is 83.9 secs Computing kpt #: 50 total cpu time spent up to now is 84.7 secs Computing kpt #: 51 total cpu time spent up to now is 85.4 secs Computing kpt #: 52 total cpu time spent up to now is 86.3 secs Computing kpt #: 53 total cpu time spent up to now is 87.2 secs Computing kpt #: 54 total cpu time spent up to now is 88.0 secs Computing kpt #: 55 total cpu time spent up to now is 89.2 secs Computing kpt #: 56 total cpu time spent up to now is 92.0 secs Computing kpt #: 57 total cpu time spent up to now is 92.8 secs Computing kpt #: 58 total cpu time spent up to now is 93.6 secs Computing kpt #: 59 total cpu time spent up to now is 94.4 secs Computing kpt #: 60 total cpu time spent up to now is 95.3 secs Computing kpt #: 61 total cpu time spent up to now is 96.1 secs Computing kpt #: 62 total cpu time spent up to now is 96.9 secs Computing kpt #: 63 total cpu time spent up to now is 97.6 secs Computing kpt #: 64 total cpu time spent up to now is 98.3 secs Computing kpt #: 65 total cpu time spent up to now is 99.0 secs Computing kpt #: 66 total cpu time spent up to now is 99.9 secs Computing kpt #: 67 total cpu time spent up to now is 100.7 secs Computing kpt #: 68 total cpu time spent up to now is 101.5 secs Computing kpt #: 69 total cpu time spent up to now is 102.4 secs Computing kpt #: 70 total cpu time spent up to now is 103.5 secs Computing kpt #: 71 total cpu time spent up to now is 104.3 secs Computing kpt #: 72 total cpu time spent up to now is 105.2 secs Computing kpt #: 73 total cpu time spent up to now is 106.0 secs Computing kpt #: 74 total cpu time spent up to now is 106.9 secs Computing kpt #: 75 total cpu time spent up to now is 107.9 secs Computing kpt #: 76 total cpu time spent up to now is 108.7 secs Computing kpt #: 77 total cpu time spent up to now is 109.6 secs Computing kpt #: 78 total cpu time spent up to now is 110.5 secs Computing kpt #: 79 total cpu time spent up to now is 111.3 secs Computing kpt #: 80 total cpu time spent up to now is 112.2 secs Computing kpt #: 81 total cpu time spent up to now is 113.0 secs Computing kpt #: 82 total cpu time spent up to now is 114.0 secs Computing kpt #: 83 total cpu time spent up to now is 114.8 secs Computing kpt #: 84 total cpu time spent up to now is 115.7 secs Computing kpt #: 85 total cpu time spent up to now is 116.5 secs Computing kpt #: 86 total cpu time spent up to now is 117.5 secs Computing kpt #: 87 total cpu time spent up to now is 118.4 secs Computing kpt #: 88 total cpu time spent up to now is 119.3 secs Computing kpt #: 89 total cpu time spent up to now is 120.2 secs Computing kpt #: 90 total cpu time spent up to now is 121.0 secs Computing kpt #: 91 total cpu time spent up to now is 121.9 secs Computing kpt #: 92 total cpu time spent up to now is 122.7 secs Computing kpt #: 93 total cpu time spent up to now is 123.5 secs Computing kpt #: 94 total cpu time spent up to now is 124.4 secs Computing kpt #: 95 total cpu time spent up to now is 125.3 secs Computing kpt #: 96 total cpu time spent up to now is 126.2 secs Computing kpt #: 97 total cpu time spent up to now is 127.0 secs Computing kpt #: 98 total cpu time spent up to now is 127.8 secs Computing kpt #: 99 total cpu time spent up to now is 128.7 secs Computing kpt #: 100 total cpu time spent up to now is 129.3 secs Computing kpt #: 101 total cpu time spent up to now is 130.1 secs Computing kpt #: 102 total cpu time spent up to now is 130.8 secs Computing kpt #: 103 total cpu time spent up to now is 131.7 secs Computing kpt #: 104 total cpu time spent up to now is 132.5 secs Computing kpt #: 105 total cpu time spent up to now is 133.2 secs Computing kpt #: 106 total cpu time spent up to now is 133.9 secs Computing kpt #: 107 total cpu time spent up to now is 134.6 secs Computing kpt #: 108 total cpu time spent up to now is 135.4 secs Computing kpt #: 109 total cpu time spent up to now is 136.2 secs Computing kpt #: 110 total cpu time spent up to now is 137.1 secs Computing kpt #: 111 total cpu time spent up to now is 138.0 secs Computing kpt #: 112 total cpu time spent up to now is 138.7 secs Computing kpt #: 113 total cpu time spent up to now is 139.4 secs Computing kpt #: 114 total cpu time spent up to now is 140.1 secs Computing kpt #: 115 total cpu time spent up to now is 140.7 secs Computing kpt #: 116 total cpu time spent up to now is 141.3 secs Computing kpt #: 117 total cpu time spent up to now is 142.0 secs Computing kpt #: 118 total cpu time spent up to now is 142.8 secs Computing kpt #: 119 total cpu time spent up to now is 143.4 secs Computing kpt #: 120 total cpu time spent up to now is 144.1 secs Computing kpt #: 121 total cpu time spent up to now is 144.8 secs Computing kpt #: 122 total cpu time spent up to now is 145.5 secs Computing kpt #: 123 total cpu time spent up to now is 146.1 secs Computing kpt #: 124 total cpu time spent up to now is 146.7 secs Computing kpt #: 125 total cpu time spent up to now is 147.3 secs Computing kpt #: 126 total cpu time spent up to now is 147.9 secs Computing kpt #: 127 total cpu time spent up to now is 148.6 secs Computing kpt #: 128 total cpu time spent up to now is 149.3 secs Computing kpt #: 129 total cpu time spent up to now is 149.9 secs Computing kpt #: 130 total cpu time spent up to now is 150.6 secs Computing kpt #: 131 total cpu time spent up to now is 151.4 secs Computing kpt #: 132 total cpu time spent up to now is 152.0 secs Computing kpt #: 133 total cpu time spent up to now is 152.6 secs Computing kpt #: 134 total cpu time spent up to now is 153.5 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Computing kpt #: 150 total cpu time spent up to now is 165.5 secs Computing kpt #: 151 total cpu time spent up to now is 166.2 secs Computing kpt #: 152 total cpu time spent up to now is 167.0 secs Computing kpt #: 153 total cpu time spent up to now is 167.7 secs Computing kpt #: 154 total cpu time spent up to now is 168.4 secs Computing kpt #: 155 total cpu time spent up to now is 169.2 secs Computing kpt #: 156 total cpu time spent up to now is 169.9 secs Computing kpt #: 157 total cpu time spent up to now is 170.6 secs Computing kpt #: 158 total cpu time spent up to now is 171.3 secs Computing kpt #: 159 total cpu time spent up to now is 172.2 secs Computing kpt #: 160 total cpu time spent up to now is 172.9 secs Computing kpt #: 161 total cpu time spent up to now is 173.6 secs Computing kpt #: 162 total cpu time spent up to now is 174.3 secs Computing kpt #: 163 total cpu time spent up to now is 175.1 secs Computing kpt #: 164 total cpu time spent up to now is 175.7 secs Computing kpt #: 165 total cpu time spent up to now is 176.4 secs Computing kpt #: 166 total cpu time spent up to now is 177.2 secs Computing kpt #: 167 total cpu time spent up to now is 177.9 secs Computing kpt #: 168 total cpu time spent up to now is 178.6 secs Computing kpt #: 169 total cpu time spent up to now is 179.3 secs Computing kpt #: 170 total cpu time spent up to now is 180.0 secs Computing kpt #: 171 total cpu time spent up to now is 180.7 secs Computing kpt #: 172 total cpu time spent up to now is 181.4 secs Computing kpt #: 173 total cpu time spent up to now is 182.0 secs Computing kpt #: 174 total cpu time spent up to now is 182.7 secs Computing kpt #: 175 total cpu time spent up to now is 183.4 secs Computing kpt #: 176 total cpu time spent up to now is 184.2 secs Computing kpt #: 177 total cpu time spent up to now is 184.9 secs Computing kpt #: 178 total cpu time spent up to now is 185.7 secs Computing kpt #: 179 total cpu time spent up to now is 186.5 secs Computing kpt #: 180 total cpu time spent up to now is 187.2 secs Computing kpt #: 181 total cpu time spent up to now is 187.9 secs Computing kpt #: 182 total cpu time spent up to now is 188.9 secs Computing kpt #: 183 total cpu time spent up to now is 189.6 secs Computing kpt #: 184 total cpu time spent up to now is 190.5 secs Computing kpt #: 185 total cpu time spent up to now is 191.3 secs Computing kpt #: 186 total cpu time spent up to now is 193.4 secs Computing kpt #: 187 total cpu time spent up to now is 194.6 secs Computing kpt #: 188 total cpu time spent up to now is 195.4 secs Computing kpt #: 189 total cpu time spent up to now is 196.2 secs Computing kpt #: 190 total cpu time spent up to now is 197.0 secs Computing kpt #: 191 total cpu time spent up to now is 197.9 secs Computing kpt #: 192 total cpu time spent up to now is 198.6 secs Computing kpt #: 193 total cpu time spent up to now is 199.5 secs Computing kpt #: 194 total cpu time spent up to now is 200.2 secs Computing kpt #: 195 total cpu 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secs Computing kpt #: 241 total cpu time spent up to now is 235.2 secs Computing kpt #: 242 total cpu time spent up to now is 235.8 secs Computing kpt #: 243 total cpu time spent up to now is 236.4 secs Computing kpt #: 244 total cpu time spent up to now is 237.0 secs Computing kpt #: 245 total cpu time spent up to now is 237.6 secs Computing kpt #: 246 total cpu time spent up to now is 238.3 secs Computing kpt #: 247 total cpu time spent up to now is 238.9 secs Computing kpt #: 248 total cpu time spent up to now is 239.5 secs Computing kpt #: 249 total cpu time spent up to now is 240.2 secs Computing kpt #: 250 total cpu time spent up to now is 240.8 secs Computing kpt #: 251 total cpu time spent up to now is 241.4 secs Computing kpt #: 252 total cpu time spent up to now is 242.0 secs Computing kpt #: 253 total cpu time spent up to now is 242.7 secs Computing kpt #: 254 total cpu time spent up to now is 243.3 secs Computing kpt #: 255 total cpu time spent up to now is 243.9 secs Computing kpt #: 256 total cpu time spent up to now is 244.6 secs Computing kpt #: 257 total cpu time spent up to now is 245.3 secs Computing kpt #: 258 total cpu time spent up to now is 246.0 secs Computing kpt #: 259 total cpu time spent up to now is 246.6 secs Computing kpt #: 260 total cpu time spent up to now is 247.2 secs Computing kpt #: 261 total cpu time spent up to now is 248.1 secs Computing kpt #: 262 total cpu time spent up to now is 248.7 secs Computing kpt #: 263 total cpu time spent up to now is 249.4 secs Computing kpt #: 264 total cpu time spent up to now is 250.1 secs Computing kpt #: 265 total cpu time spent up to now is 251.0 secs Computing kpt #: 266 total cpu time spent up to now is 251.8 secs Computing kpt #: 267 total cpu time spent up to now is 252.5 secs Computing kpt #: 268 total cpu time spent up to now is 253.3 secs Computing kpt #: 269 total cpu time spent up to now is 254.0 secs Computing kpt #: 270 total cpu time spent up to now is 254.7 secs Computing 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total cpu time spent up to now is 269.7 secs Computing kpt #: 287 total cpu time spent up to now is 270.5 secs Computing kpt #: 288 total cpu time spent up to now is 271.3 secs Computing kpt #: 289 total cpu time spent up to now is 272.1 secs Computing kpt #: 290 total cpu time spent up to now is 272.9 secs Computing kpt #: 291 total cpu time spent up to now is 273.7 secs Computing kpt #: 292 total cpu time spent up to now is 274.5 secs Computing kpt #: 293 total cpu time spent up to now is 275.2 secs Computing kpt #: 294 total cpu time spent up to now is 275.9 secs Computing kpt #: 295 total cpu time spent up to now is 276.7 secs Computing kpt #: 296 total cpu time spent up to now is 277.4 secs Computing kpt #: 297 total cpu time spent up to now is 278.1 secs Computing kpt #: 298 total cpu time spent up to now is 279.1 secs Computing kpt #: 299 total cpu time spent up to now is 280.5 secs Computing kpt #: 300 total cpu time spent up to now is 281.3 secs Computing kpt #: 301 total cpu 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is 307.9 secs Computing kpt #: 332 total cpu time spent up to now is 308.8 secs Computing kpt #: 333 total cpu time spent up to now is 309.6 secs Computing kpt #: 334 total cpu time spent up to now is 310.5 secs Computing kpt #: 335 total cpu time spent up to now is 311.3 secs Computing kpt #: 336 total cpu time spent up to now is 312.1 secs Computing kpt #: 337 total cpu time spent up to now is 312.8 secs Computing kpt #: 338 total cpu time spent up to now is 313.6 secs Computing kpt #: 339 total cpu time spent up to now is 314.2 secs Computing kpt #: 340 total cpu time spent up to now is 314.9 secs Computing kpt #: 341 total cpu time spent up to now is 315.5 secs Computing kpt #: 342 total cpu time spent up to now is 316.2 secs Computing kpt #: 343 total cpu time spent up to now is 316.9 secs Computing kpt #: 344 total cpu time spent up to now is 317.6 secs Computing kpt #: 345 total cpu time spent up to now is 318.4 secs Computing kpt #: 346 total cpu time spent up to now is 319.2 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Computing kpt #: 362 total cpu time spent up to now is 332.1 secs Computing kpt #: 363 total cpu time spent up to now is 332.8 secs Computing kpt #: 364 total cpu time spent up to now is 333.6 secs Computing kpt #: 365 total cpu time spent up to now is 334.4 secs Computing kpt #: 366 total cpu time spent up to now is 335.1 secs Computing kpt #: 367 total cpu time spent up to now is 335.8 secs Computing kpt #: 368 total cpu time spent up to now is 336.4 secs Computing kpt #: 369 total cpu time spent up to now is 337.1 secs Computing kpt #: 370 total cpu time spent up to now is 337.9 secs Computing kpt #: 371 total cpu time spent up to now is 338.6 secs Computing kpt #: 372 total cpu time spent up to now is 339.2 secs Computing kpt #: 373 total cpu time spent up to now is 339.9 secs Computing kpt #: 374 total cpu time spent up to now is 340.6 secs Computing kpt #: 375 total cpu time spent up to now is 341.5 secs Computing kpt #: 376 total cpu time spent up to now is 342.1 secs Computing kpt #: 377 total cpu time spent up to now is 342.8 secs Computing kpt #: 378 total cpu time spent up to now is 343.5 secs Computing kpt #: 379 total cpu time spent up to now is 344.3 secs Computing kpt #: 380 total cpu time spent up to now is 345.0 secs Computing kpt #: 381 total cpu time spent up to now is 345.7 secs Computing kpt #: 382 total cpu time spent up to now is 346.4 secs Computing kpt #: 383 total cpu time spent up to now is 347.1 secs Computing kpt #: 384 total cpu time spent up to now is 347.9 secs Computing kpt #: 385 total cpu time spent up to now is 348.6 secs Computing kpt #: 386 total cpu time spent up to now is 349.3 secs Computing kpt #: 387 total cpu time spent up to now is 350.0 secs Computing kpt #: 388 total cpu time spent up to now is 350.7 secs Computing kpt #: 389 total cpu time spent up to now is 351.4 secs Computing kpt #: 390 total cpu time spent up to now is 352.1 secs Computing kpt #: 391 total cpu time spent up to now is 353.0 secs Computing kpt #: 392 total cpu time spent up to now is 353.9 secs Computing kpt #: 393 total cpu time spent up to now is 354.6 secs Computing kpt #: 394 total cpu time spent up to now is 355.4 secs Computing kpt #: 395 total cpu time spent up to now is 356.1 secs Computing kpt #: 396 total cpu time spent up to now is 357.0 secs Computing kpt #: 397 total cpu time spent up to now is 357.7 secs Computing kpt #: 398 total cpu time spent up to now is 358.7 secs Computing kpt #: 399 total cpu time spent up to now is 359.5 secs Computing kpt #: 400 total cpu time spent up to now is 360.4 secs Computing kpt #: 401 total cpu time spent up to now is 361.4 secs Computing kpt #: 402 total cpu time spent up to now is 362.1 secs Computing kpt #: 403 total cpu time spent up to now is 363.0 secs Computing kpt #: 404 total cpu time spent up to now is 365.3 secs Computing kpt #: 405 total cpu time spent up to now is 366.1 secs Computing kpt #: 406 total cpu time spent up to now is 367.3 secs Computing kpt #: 407 total cpu time spent up to now is 368.4 secs Computing kpt #: 408 total cpu time spent up to now is 369.3 secs Computing kpt #: 409 total cpu time spent up to now is 370.3 secs Computing kpt #: 410 total cpu time spent up to now is 371.1 secs Computing kpt #: 411 total cpu time spent up to now is 372.0 secs Computing kpt #: 412 total cpu time spent up to now is 372.9 secs Computing kpt #: 413 total cpu time spent up to now is 373.6 secs Computing kpt #: 414 total cpu time spent up to now is 374.4 secs Computing kpt #: 415 total cpu time spent up to now is 375.2 secs Computing kpt #: 416 total cpu time spent up to now is 376.0 secs Computing kpt #: 417 total cpu time spent up to now is 377.0 secs Computing kpt #: 418 total cpu time spent up to now is 377.9 secs Computing kpt #: 419 total cpu time spent up to now is 378.5 secs Computing kpt #: 420 total cpu time spent up to now is 379.2 secs Computing kpt #: 421 total cpu time spent up to now is 379.9 secs Computing kpt #: 422 total cpu time spent up to now is 380.5 secs Computing kpt #: 423 total cpu time spent up to now is 381.2 secs Computing kpt #: 424 total cpu time spent up to now is 381.9 secs Computing kpt #: 425 total cpu time spent up to now is 382.5 secs Computing kpt #: 426 total cpu time spent up to now is 383.2 secs Computing kpt #: 427 total cpu time spent up to now is 383.9 secs Computing kpt #: 428 total cpu time spent up to now is 384.5 secs Computing kpt #: 429 total cpu time spent up to now is 385.5 secs Computing kpt #: 430 total cpu time spent up to now is 386.3 secs Computing kpt #: 431 total cpu time spent up to now is 387.2 secs Computing kpt #: 432 total cpu time spent up to now is 388.0 secs Computing kpt #: 433 total cpu time spent up to now is 389.0 secs Computing kpt #: 434 total cpu time spent up to now is 390.0 secs Computing kpt #: 435 total cpu time spent up to now is 390.9 secs Computing kpt #: 436 total cpu time spent up to now is 391.7 secs Computing kpt #: 437 total cpu time spent up to now is 394.4 secs Computing kpt #: 438 total cpu time spent up to now is 395.3 secs Computing kpt #: 439 total cpu time spent up to now is 396.1 secs Computing kpt #: 440 total cpu time spent up to now is 396.9 secs Computing kpt #: 441 total cpu time spent up to now is 399.5 secs Computing kpt #: 442 total cpu time spent up to now is 400.2 secs Computing kpt #: 443 total cpu time spent up to now is 401.0 secs Computing kpt #: 444 total cpu time spent up to now is 401.7 secs Computing kpt #: 445 total cpu time spent up to now is 402.4 secs Computing kpt #: 446 total cpu time spent up to now is 403.1 secs Computing kpt #: 447 total cpu time spent up to now is 403.7 secs Computing kpt #: 448 total cpu time spent up to now is 404.4 secs Computing kpt #: 449 total cpu time spent up to now is 405.0 secs Computing kpt #: 450 total cpu time spent up to now is 405.7 secs Computing kpt #: 451 total cpu time spent up to now is 406.4 secs Computing kpt #: 452 total cpu time spent up to now is 407.1 secs Computing kpt #: 453 total cpu time spent up to now is 407.7 secs Computing kpt #: 454 total cpu time spent up to now is 408.4 secs Computing kpt #: 455 total cpu time spent up to now is 409.0 secs Computing kpt #: 456 total cpu time spent up to now is 409.7 secs Computing kpt #: 457 total cpu time spent up to now is 410.4 secs Computing kpt #: 458 total cpu time spent up to now is 411.0 secs Computing kpt #: 459 total cpu time spent up to now is 411.6 secs ethr = 3.85E-11, avg # of iterations = 27.2 total cpu time spent up to now is 411.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3317 PWs) bands (ev): -47.4717 -47.4717 -22.5791 -22.5791 -19.5242 -19.5242 -19.3571 -19.3571 -19.3283 -19.3283 -17.7754 -17.7754 -7.5830 -7.5830 -4.6714 -4.6714 -4.2564 -4.2564 -4.0911 -4.0911 -0.0052 -0.0052 0.8035 0.8035 1.7006 1.7006 5.2034 5.2034 8.1793 8.1793 12.9030 12.9030 14.2221 14.2221 k =-0.0056 0.0048 0.0112 ( 3317 PWs) bands (ev): -47.4717 -47.4717 -22.5791 -22.5791 -19.5243 -19.5241 -19.3572 -19.3570 -19.3285 -19.3282 -17.7754 -17.7754 -7.5830 -7.5830 -4.6713 -4.6713 -4.2582 -4.2564 -4.0919 -4.0900 -0.0057 -0.0057 0.8037 0.8037 1.7010 1.7011 5.2026 5.2027 8.1809 8.1811 12.9029 12.9029 14.2242 14.2242 k =-0.0112 0.0096 0.0224 ( 3313 PWs) bands (ev): -47.4717 -47.4717 -22.5789 -22.5789 -19.5243 -19.5239 -19.3572 -19.3569 -19.3287 -19.3280 -17.7756 -17.7755 -7.5828 -7.5828 -4.6709 -4.6708 -4.2618 -4.2582 -4.0923 -4.0885 -0.0072 -0.0071 0.8041 0.8043 1.7024 1.7026 5.2002 5.2004 8.1861 8.1865 12.9027 12.9028 14.2303 14.2303 k =-0.0168 0.0145 0.0335 ( 3311 PWs) bands (ev): -47.4717 -47.4717 -22.5786 -22.5786 -19.5244 -19.5238 -19.3572 -19.3567 -19.3290 -19.3279 -17.7758 -17.7758 -7.5826 -7.5826 -4.6701 -4.6701 -4.2670 -4.2619 -4.0923 -4.0869 -0.0097 -0.0095 0.8049 0.8052 1.7045 1.7048 5.1962 5.1966 8.1949 8.1954 12.9023 12.9025 14.2405 14.2405 k =-0.0223 0.0193 0.0447 ( 3315 PWs) bands (ev): -47.4717 -47.4717 -22.5782 -22.5782 -19.5245 -19.5237 -19.3572 -19.3566 -19.3293 -19.3279 -17.7761 -17.7761 -7.5823 -7.5823 -4.6691 -4.6691 -4.2739 -4.2673 -4.0919 -4.0850 -0.0131 -0.0128 0.8060 0.8064 1.7076 1.7080 5.1907 5.1912 8.2071 8.2077 12.9018 12.9020 14.2547 14.2547 k =-0.0279 0.0241 0.0559 ( 3315 PWs) bands (ev): -47.4716 -47.4716 -22.5777 -22.5777 -19.5245 -19.5235 -19.3572 -19.3564 -19.3296 -19.3278 -17.7765 -17.7765 -7.5820 -7.5819 -4.6678 -4.6678 -4.2823 -4.2745 -4.0912 -4.0830 -0.0174 -0.0171 0.8075 0.8079 1.7115 1.7120 5.1838 5.1844 8.2227 8.2235 12.9010 12.9013 14.2728 14.2729 k =-0.0335 0.0289 0.0671 ( 3315 PWs) bands (ev): -47.4716 -47.4716 -22.5771 -22.5771 -19.5245 -19.5234 -19.3572 -19.3562 -19.3299 -19.3278 -17.7770 -17.7770 -7.5815 -7.5815 -4.6662 -4.6662 -4.2921 -4.2834 -4.0902 -4.0809 -0.0226 -0.0223 0.8092 0.8097 1.7162 1.7168 5.1754 5.1761 8.2417 8.2427 12.9001 12.9004 14.2947 14.2948 k =-0.0391 0.0337 0.0783 ( 3319 PWs) bands (ev): -47.4716 -47.4716 -22.5764 -22.5764 -19.5246 -19.5232 -19.3571 -19.3560 -19.3302 -19.3278 -17.7775 -17.7775 -7.5810 -7.5810 -4.6643 -4.6643 -4.3033 -4.2938 -4.0888 -4.0787 -0.0288 -0.0284 0.8113 0.8119 1.7217 1.7224 5.1657 5.1665 8.2641 8.2652 12.8989 12.8993 14.3202 14.3203 k =-0.0447 0.0385 0.0894 ( 3319 PWs) bands (ev): -47.4716 -47.4716 -22.5756 -22.5755 -19.5246 -19.5230 -19.3570 -19.3558 -19.3306 -19.3279 -17.7782 -17.7782 -7.5805 -7.5804 -4.6622 -4.6621 -4.3158 -4.3057 -4.0873 -4.0765 -0.0357 -0.0352 0.8138 0.8144 1.7280 1.7288 5.1547 5.1556 8.2898 8.2910 12.8974 12.8978 14.3492 14.3492 k =-0.0503 0.0434 0.1006 ( 3319 PWs) bands (ev): -47.4716 -47.4716 -22.5746 -22.5746 -19.5246 -19.5228 -19.3569 -19.3556 -19.3310 -19.3279 -17.7789 -17.7789 -7.5799 -7.5798 -4.6598 -4.6597 -4.3294 -4.3190 -4.0856 -4.0743 -0.0434 -0.0429 0.8165 0.8172 1.7350 1.7359 5.1425 5.1436 8.3187 8.3200 12.8955 12.8960 14.3812 14.3813 k =-0.0559 0.0482 0.1118 ( 3315 PWs) bands (ev): -47.4715 -47.4715 -22.5736 -22.5735 -19.5246 -19.5226 -19.3568 -19.3553 -19.3313 -19.3280 -17.7797 -17.7797 -7.5792 -7.5791 -4.6571 -4.6570 -4.3443 -4.3335 -4.0837 -4.0721 -0.0518 -0.0513 0.8196 0.8204 1.7427 1.7436 5.1293 5.1305 8.3506 8.3521 12.8933 12.8938 14.4159 14.4160 k =-0.0614 0.0530 0.1230 ( 3319 PWs) bands (ev): -47.4715 -47.4715 -22.5725 -22.5724 -19.5246 -19.5224 -19.3566 -19.3551 -19.3318 -19.3281 -17.7806 -17.7806 -7.5785 -7.5784 -4.6542 -4.6541 -4.3601 -4.3493 -4.0817 -4.0699 -0.0610 -0.0603 0.8229 0.8238 1.7510 1.7520 5.1151 5.1163 8.3857 8.3873 12.8906 12.8911 14.4526 14.4528 k =-0.0670 0.0578 0.1342 ( 3317 PWs) bands (ev): -47.4714 -47.4714 -22.5713 -22.5712 -19.5246 -19.5222 -19.3565 -19.3548 -19.3322 -19.3282 -17.7816 -17.7815 -7.5778 -7.5777 -4.6510 -4.6509 -4.3769 -4.3660 -4.0797 -4.0677 -0.0708 -0.0701 0.8266 0.8275 1.7598 1.7609 5.1000 5.1013 8.4237 8.4254 12.8874 12.8880 14.4906 14.4908 k =-0.0726 0.0626 0.1453 ( 3319 PWs) bands (ev): -47.4714 -47.4714 -22.5700 -22.5699 -19.5246 -19.5220 -19.3563 -19.3546 -19.3326 -19.3283 -17.7826 -17.7826 -7.5771 -7.5770 -4.6476 -4.6475 -4.3946 -4.3837 -4.0775 -4.0655 -0.0811 -0.0803 0.8306 0.8316 1.7692 1.7703 5.0840 5.0854 8.4645 8.4663 12.8836 12.8842 14.5285 14.5287 k =-0.0782 0.0675 0.1565 ( 3319 PWs) bands (ev): -47.4714 -47.4714 -22.5686 -22.5685 -19.5246 -19.5218 -19.3561 -19.3543 -19.3330 -19.3285 -17.7837 -17.7837 -7.5764 -7.5763 -4.6439 -4.6439 -4.4131 -4.4023 -4.0754 -4.0634 -0.0919 -0.0912 0.8349 0.8359 1.7791 1.7802 5.0675 5.0689 8.5081 8.5099 12.8791 12.8798 14.5644 14.5646 k =-0.0838 0.0723 0.1677 ( 3315 PWs) bands (ev): -47.4713 -47.4713 -22.5671 -22.5670 -19.5246 -19.5216 -19.3559 -19.3541 -19.3334 -19.3286 -17.7848 -17.7848 -7.5757 -7.5756 -4.6401 -4.6400 -4.4322 -4.4215 -4.0731 -4.0613 -0.1032 -0.1024 0.8394 0.8406 1.7893 1.7905 5.0504 5.0519 8.5543 8.5562 12.8740 12.8748 14.5951 14.5954 k =-0.0894 0.0771 0.1789 ( 3315 PWs) bands (ev): -47.4713 -47.4713 -22.5656 -22.5655 -19.5246 -19.5214 -19.3557 -19.3539 -19.3337 -19.3288 -17.7861 -17.7860 -7.5750 -7.5749 -4.6360 -4.6359 -4.4520 -4.4415 -4.0709 -4.0591 -0.1149 -0.1140 0.8443 0.8455 1.8000 1.8012 5.0328 5.0344 8.6031 8.6050 12.8681 12.8689 14.6160 14.6164 k =-0.0950 0.0819 0.1901 ( 3323 PWs) bands (ev): -47.4712 -47.4712 -22.5640 -22.5639 -19.5246 -19.5213 -19.3556 -19.3537 -19.3341 -19.3290 -17.7873 -17.7873 -7.5744 -7.5743 -4.6317 -4.6317 -4.4723 -4.4619 -4.0687 -4.0571 -0.1269 -0.1260 0.8494 0.8507 1.8109 1.8121 5.0149 5.0165 8.6543 8.6563 12.8613 12.8622 14.6212 14.6216 k =-0.1005 0.0867 0.2012 ( 3325 PWs) bands (ev): -47.4712 -47.4712 -22.5623 -22.5622 -19.5247 -19.5211 -19.3554 -19.3536 -19.3345 -19.3291 -17.7887 -17.7887 -7.5738 -7.5738 -4.6273 -4.6272 -4.4929 -4.4828 -4.0665 -4.0551 -0.1391 -0.1381 0.8548 0.8561 1.8220 1.8233 4.9968 4.9985 8.7078 8.7098 12.8536 12.8546 14.6053 14.6059 k =-0.1061 0.0916 0.2124 ( 3325 PWs) bands (ev): -47.4711 -47.4711 -22.5606 -22.5605 -19.5247 -19.5210 -19.3553 -19.3534 -19.3347 -19.3293 -17.7901 -17.7901 -7.5733 -7.5733 -4.6227 -4.6226 -4.5139 -4.5040 -4.0644 -4.0531 -0.1515 -0.1505 0.8605 0.8619 1.8334 1.8348 4.9787 4.9804 8.7636 8.7656 12.8449 12.8460 14.5670 14.5677 k =-0.1117 0.0964 0.2236 ( 3325 PWs) bands (ev): -47.4711 -47.4711 -22.5588 -22.5587 -19.5248 -19.5208 -19.3551 -19.3533 -19.3350 -19.3294 -17.7915 -17.7915 -7.5730 -7.5729 -4.6179 -4.6178 -4.5351 -4.5255 -4.0623 -4.0512 -0.1639 -0.1629 0.8665 0.8679 1.8450 1.8463 4.9606 4.9623 8.8214 8.8235 12.8353 12.8364 14.5097 14.5106 k =-0.1173 0.1012 0.2348 ( 3321 PWs) bands (ev): -47.4710 -47.4710 -22.5570 -22.5568 -19.5248 -19.5207 -19.3549 -19.3533 -19.3352 -19.3296 -17.7930 -17.7930 -7.5727 -7.5726 -4.6130 -4.6129 -4.5563 -4.5470 -4.0602 -4.0493 -0.1764 -0.1753 0.8727 0.8741 1.8566 1.8579 4.9426 4.9443 8.8813 8.8833 12.8245 12.8257 14.4389 14.4400 k =-0.1229 0.1060 0.2460 ( 3325 PWs) bands (ev): -47.4710 -47.4710 -22.5551 -22.5550 -19.5249 -19.5206 -19.3548 -19.3533 -19.3354 -19.3297 -17.7945 -17.7945 -7.5725 -7.5724 -4.6081 -4.6078 -4.5775 -4.5685 -4.0583 -4.0476 -0.1888 -0.1876 0.8791 0.8806 1.8682 1.8695 4.9248 4.9266 8.9430 8.9450 12.8126 12.8138 14.3595 14.3608 k =-0.1285 0.1108 0.2571 ( 3325 PWs) bands (ev): -47.4709 -47.4709 -22.5532 -22.5531 -19.5250 -19.5205 -19.3547 -19.3533 -19.3356 -19.3298 -17.7960 -17.7960 -7.5725 -7.5724 -4.6042 -4.6026 -4.5973 -4.5900 -4.0564 -4.0459 -0.2011 -0.1999 0.8858 0.8873 1.8798 1.8812 4.9074 4.9092 9.0064 9.0084 12.7995 12.8008 14.2750 14.2765 k =-0.1341 0.1156 0.2683 ( 3319 PWs) bands (ev): -47.4708 -47.4708 -22.5513 -22.5511 -19.5251 -19.5204 -19.3545 -19.3533 -19.3357 -19.3299 -17.7976 -17.7976 -7.5726 -7.5725 -4.6204 -4.6113 -4.5973 -4.5969 -4.0545 -4.0443 -0.2131 -0.2119 0.8927 0.8943 1.8914 1.8927 4.8905 4.8923 9.0715 9.0734 12.7851 12.7866 14.1876 14.1894 k =-0.1396 0.1205 0.2795 ( 3321 PWs) bands (ev): -47.4708 -47.4708 -22.5493 -22.5492 -19.5252 -19.5204 -19.3545 -19.3535 -19.3358 -19.3301 -17.7992 -17.7992 -7.5729 -7.5728 -4.6410 -4.6323 -4.5919 -4.5916 -4.0529 -4.0428 -0.2250 -0.2237 0.8999 0.9015 1.9029 1.9042 4.8741 4.8759 9.1381 9.1400 12.7695 12.7711 14.0988 14.1008 k =-0.1452 0.1253 0.2907 ( 3325 PWs) bands (ev): -47.4707 -47.4707 -22.5474 -22.5472 -19.5253 -19.5204 -19.3544 -19.3536 -19.3358 -19.3302 -17.8008 -17.8008 -7.5733 -7.5733 -4.6613 -4.6530 -4.5864 -4.5862 -4.0513 -4.0415 -0.2364 -0.2351 0.9072 0.9089 1.9143 1.9156 4.8584 4.8602 9.2060 9.2079 12.7527 12.7543 14.0096 14.0118 k =-0.1508 0.1301 0.3019 ( 3327 PWs) bands (ev): -47.4707 -47.4707 -22.5454 -22.5452 -19.5255 -19.5204 -19.3544 -19.3538 -19.3359 -19.3303 -17.8025 -17.8024 -7.5740 -7.5740 -4.6813 -4.6731 -4.5808 -4.5807 -4.0499 -4.0403 -0.2475 -0.2461 0.9147 0.9165 1.9255 1.9267 4.8434 4.8452 9.2753 9.2771 12.7345 12.7363 13.9206 13.9230 k =-0.1564 0.1349 0.3130 ( 3331 PWs) bands (ev): -47.4706 -47.4706 -22.5434 -22.5433 -19.5257 -19.5204 -19.3544 -19.3541 -19.3359 -19.3304 -17.8041 -17.8041 -7.5749 -7.5749 -4.7007 -4.6928 -4.5752 -4.5751 -4.0486 -4.0392 -0.2581 -0.2566 0.9225 0.9242 1.9365 1.9377 4.8292 4.8311 9.3457 9.3474 12.7151 12.7170 13.8324 13.8349 k =-0.1620 0.1397 0.3242 ( 3335 PWs) bands (ev): -47.4706 -47.4706 -22.5415 -22.5413 -19.5259 -19.5205 -19.3545 -19.3544 -19.3359 -19.3305 -17.8057 -17.8057 -7.5760 -7.5760 -4.7195 -4.7119 -4.5696 -4.5694 -4.0475 -4.0383 -0.2682 -0.2667 0.9304 0.9322 1.9473 1.9484 4.8160 4.8178 9.4171 9.4187 12.6944 12.6964 13.7451 13.7479 k =-0.1676 0.1446 0.3354 ( 3337 PWs) bands (ev): -47.4705 -47.4705 -22.5395 -22.5393 -19.5261 -19.5205 -19.3547 -19.3546 -19.3359 -19.3306 -17.8074 -17.8074 -7.5774 -7.5773 -4.7376 -4.7302 -4.5639 -4.5637 -4.0465 -4.0375 -0.2776 -0.2761 0.9385 0.9403 1.9578 1.9589 4.8037 4.8055 9.4894 9.4910 12.6725 12.6745 13.6590 13.6620 k =-0.1732 0.1494 0.3466 ( 3333 PWs) bands (ev): -47.4705 -47.4705 -22.5376 -22.5374 -19.5263 -19.5206 -19.3550 -19.3547 -19.3359 -19.3306 -17.8090 -17.8090 -7.5790 -7.5789 -4.7550 -4.7478 -4.5582 -4.5580 -4.0457 -4.0369 -0.2864 -0.2849 0.9467 0.9486 1.9681 1.9691 4.7925 4.7943 9.5624 9.5639 12.6493 12.6515 13.5743 13.5775 k =-0.1788 0.1542 0.3578 ( 3333 PWs) bands (ev): -47.4704 -47.4704 -22.5356 -22.5354 -19.5265 -19.5207 -19.3553 -19.3548 -19.3358 -19.3307 -17.8107 -17.8107 -7.5809 -7.5808 -4.7715 -4.7645 -4.5524 -4.5523 -4.0451 -4.0365 -0.2945 -0.2929 0.9551 0.9570 1.9780 1.9789 4.7824 4.7842 9.6361 9.6375 12.6251 12.6274 13.4911 13.4945 k =-0.1843 0.1590 0.3689 ( 3331 PWs) bands (ev): -47.4704 -47.4704 -22.5337 -22.5335 -19.5267 -19.5208 -19.3556 -19.3549 -19.3358 -19.3308 -17.8123 -17.8123 -7.5830 -7.5829 -4.7871 -4.7803 -4.5467 -4.5465 -4.0447 -4.0363 -0.3019 -0.3002 0.9636 0.9656 1.9876 1.9884 4.7735 4.7753 9.7103 9.7115 12.5997 12.6021 13.4095 13.4131 k =-0.1899 0.1638 0.3801 ( 3331 PWs) bands (ev): -47.4703 -47.4703 -22.5318 -22.5316 -19.5270 -19.5210 -19.3560 -19.3551 -19.3358 -19.3309 -17.8139 -17.8139 -7.5854 -7.5853 -4.8018 -4.7951 -4.5410 -4.5408 -4.0445 -4.0363 -0.3085 -0.3068 0.9723 0.9743 1.9968 1.9976 4.7658 4.7676 9.7847 9.7859 12.5733 12.5758 13.3295 13.3332 k =-0.1955 0.1686 0.3913 ( 3323 PWs) bands (ev): -47.4703 -47.4703 -22.5300 -22.5298 -19.5272 -19.5211 -19.3564 -19.3553 -19.3358 -19.3309 -17.8154 -17.8154 -7.5882 -7.5880 -4.8154 -4.8089 -4.5354 -4.5351 -4.0445 -4.0364 -0.3141 -0.3124 0.9811 0.9831 2.0057 2.0064 4.7594 4.7612 9.8594 9.8605 12.5460 12.5486 13.2512 13.2551 k =-0.2011 0.1735 0.4025 ( 3319 PWs) bands (ev): -47.4702 -47.4702 -22.5282 -22.5280 -19.5275 -19.5213 -19.3567 -19.3555 -19.3359 -19.3310 -17.8170 -17.8170 -7.5912 -7.5910 -4.8280 -4.8217 -4.5298 -4.5295 -4.0447 -4.0369 -0.3189 -0.3171 0.9900 0.9920 2.0141 2.0147 4.7543 4.7562 9.9341 9.9350 12.5178 12.5204 13.1746 13.1786 k =-0.2067 0.1783 0.4137 ( 3319 PWs) bands (ev): -47.4702 -47.4702 -22.5265 -22.5262 -19.5277 -19.5215 -19.3571 -19.3558 -19.3359 -19.3311 -17.8185 -17.8185 -7.5945 -7.5943 -4.8394 -4.8333 -4.5242 -4.5240 -4.0452 -4.0375 -0.3228 -0.3210 0.9989 1.0010 2.0222 2.0227 4.7506 4.7525 10.0086 10.0094 12.4888 12.4915 13.0997 13.1039 k =-0.2123 0.1831 0.4248 ( 3327 PWs) bands (ev): -47.4702 -47.4702 -22.5248 -22.5245 -19.5281 -19.5217 -19.3575 -19.3562 -19.3361 -19.3313 -17.8200 -17.8200 -7.5982 -7.5979 -4.8497 -4.8437 -4.5187 -4.5185 -4.0459 -4.0384 -0.3258 -0.3239 1.0079 1.0101 2.0298 2.0303 4.7483 4.7502 10.0827 10.0834 12.4590 12.4619 13.0265 13.0309 k =-0.2179 0.1879 0.4360 ( 3327 PWs) bands (ev): -47.4702 -47.4702 -22.5231 -22.5229 -19.5284 -19.5220 -19.3579 -19.3565 -19.3362 -19.3314 -17.8214 -17.8214 -7.6021 -7.6019 -4.8588 -4.8530 -4.5133 -4.5131 -4.0468 -4.0395 -0.3277 -0.3258 1.0170 1.0192 2.0371 2.0375 4.7475 4.7494 10.1564 10.1569 12.4287 12.4315 12.9551 12.9596 k =-0.2234 0.1927 0.4472 ( 3331 PWs) bands (ev): -47.4701 -47.4701 -22.5215 -22.5213 -19.5287 -19.5223 -19.3583 -19.3569 -19.3364 -19.3316 -17.8229 -17.8229 -7.6064 -7.6061 -4.8666 -4.8609 -4.5080 -4.5077 -4.0480 -4.0409 -0.3287 -0.3267 1.0261 1.0283 2.0439 2.0442 4.7480 4.7499 10.2293 10.2296 12.3977 12.4006 12.8855 12.8901 k =-0.2290 0.1976 0.4584 ( 3335 PWs) bands (ev): -47.4701 -47.4701 -22.5200 -22.5197 -19.5290 -19.5226 -19.3587 -19.3574 -19.3366 -19.3318 -17.8242 -17.8242 -7.6110 -7.6107 -4.8732 -4.8677 -4.5028 -4.5025 -4.0495 -4.0425 -0.3286 -0.3266 1.0353 1.0375 2.0503 2.0505 4.7501 4.7520 10.3012 10.3014 12.3661 12.3690 12.8179 12.8226 k =-0.2346 0.2024 0.4696 ( 3331 PWs) bands (ev): -47.4701 -47.4701 -22.5185 -22.5183 -19.5293 -19.5229 -19.3591 -19.3578 -19.3369 -19.3320 -17.8256 -17.8255 -7.6158 -7.6155 -4.8784 -4.8731 -4.4977 -4.4974 -4.0512 -4.0443 -0.3275 -0.3254 1.0445 1.0467 2.0563 2.0564 4.7536 4.7555 10.3719 10.3719 12.3339 12.3368 12.7521 12.7569 k =-0.2402 0.2072 0.4807 ( 3325 PWs) bands (ev): -47.4701 -47.4701 -22.5171 -22.5168 -19.5296 -19.5232 -19.3595 -19.3583 -19.3371 -19.3321 -17.8268 -17.8268 -7.6211 -7.6207 -4.8824 -4.8772 -4.4927 -4.4923 -4.0531 -4.0464 -0.3253 -0.3232 1.0537 1.0560 2.0618 2.0619 4.7586 4.7605 10.4410 10.4412 12.3010 12.3040 12.6885 12.6934 k =-0.2458 0.2120 0.4919 ( 3323 PWs) bands (ev): -47.4701 -47.4701 -22.5158 -22.5155 -19.5300 -19.5235 -19.3599 -19.3588 -19.3374 -19.3323 -17.8280 -17.8280 -7.6266 -7.6262 -4.8850 -4.8799 -4.4878 -4.4874 -4.0553 -4.0487 -0.3221 -0.3199 1.0629 1.0652 2.0670 2.0670 4.7651 4.7670 10.5083 10.5087 12.2675 12.2703 12.6272 12.6322 k =-0.2514 0.2168 0.5031 ( 3319 PWs) bands (ev): -47.4700 -47.4700 -22.5145 -22.5143 -19.5303 -19.5239 -19.3603 -19.3593 -19.3378 -19.3326 -17.8292 -17.8292 -7.6324 -7.6320 -4.8864 -4.8814 -4.4830 -4.4826 -4.0577 -4.0513 -0.3178 -0.3155 1.0720 1.0744 2.0716 2.0717 4.7731 4.7750 10.5735 10.5741 12.2330 12.2358 12.5685 12.5734 k =-0.2570 0.2216 0.5143 ( 3317 PWs) bands (ev): -47.4700 -47.4700 -22.5133 -22.5131 -19.5307 -19.5242 -19.3607 -19.3599 -19.3381 -19.3328 -17.8303 -17.8303 -7.6385 -7.6381 -4.8863 -4.8815 -4.4783 -4.4779 -4.0604 -4.0541 -0.3124 -0.3102 1.0812 1.0835 2.0758 2.0760 4.7826 4.7845 10.6364 10.6372 12.1974 12.2000 12.5125 12.5174 k =-0.2625 0.2265 0.5255 ( 3325 PWs) bands (ev): -47.4700 -47.4700 -22.5122 -22.5120 -19.5311 -19.5247 -19.3611 -19.3605 -19.3385 -19.3331 -17.8313 -17.8313 -7.6449 -7.6444 -4.8850 -4.8803 -4.4738 -4.4734 -4.0633 -4.0572 -0.3061 -0.3038 1.0902 1.0926 2.0797 2.0799 4.7934 4.7953 10.6966 10.6976 12.1605 12.1629 12.4596 12.4644 k =-0.2681 0.2313 0.5366 ( 3329 PWs) bands (ev): -47.4700 -47.4700 -22.5112 -22.5109 -19.5315 -19.5252 -19.3616 -19.3612 -19.3389 -19.3333 -17.8323 -17.8323 -7.6515 -7.6511 -4.8824 -4.8778 -4.4694 -4.4690 -4.0665 -4.0605 -0.2987 -0.2963 1.0992 1.1017 2.0831 2.0834 4.8057 4.8076 10.7536 10.7549 12.1220 12.1240 12.4102 12.4148 k =-0.2737 0.2361 0.5478 ( 3325 PWs) bands (ev): -47.4700 -47.4700 -22.5102 -22.5100 -19.5318 -19.5256 -19.3620 -19.3618 -19.3393 -19.3335 -17.8333 -17.8333 -7.6584 -7.6580 -4.8784 -4.8739 -4.4652 -4.4648 -4.0699 -4.0641 -0.2902 -0.2878 1.1082 1.1107 2.0861 2.0865 4.8194 4.8213 10.8072 10.8088 12.0816 12.0833 12.3644 12.3687 k =-0.2793 0.2409 0.5590 ( 3321 PWs) bands (ev): -47.4700 -47.4700 -22.5094 -22.5091 -19.5322 -19.5261 -19.3625 -19.3625 -19.3397 -19.3338 -17.8341 -17.8341 -7.6656 -7.6651 -4.8731 -4.8687 -4.4611 -4.4606 -4.0736 -4.0678 -0.2807 -0.2783 1.1171 1.1196 2.0888 2.0892 4.8344 4.8363 10.8570 10.8588 12.0394 12.0406 12.3223 12.3264 k =-0.2849 0.2457 0.5702 ( 3325 PWs) bands (ev): -47.4701 -47.4701 -22.5086 -22.5083 -19.5327 -19.5266 -19.3633 -19.3630 -19.3401 -19.3340 -17.8350 -17.8349 -7.6730 -7.6725 -4.8666 -4.8623 -4.4571 -4.4567 -4.0774 -4.0718 -0.2703 -0.2678 1.1259 1.1284 2.0911 2.0916 4.8507 4.8526 10.9026 10.9046 11.9952 11.9959 12.2839 12.2876 k =-0.2905 0.2506 0.5814 ( 3329 PWs) bands (ev): -47.4701 -47.4701 -22.5078 -22.5075 -19.5331 -19.5271 -19.3641 -19.3636 -19.3405 -19.3343 -17.8357 -17.8357 -7.6806 -7.6801 -4.8589 -4.8547 -4.4533 -4.4529 -4.0815 -4.0760 -0.2589 -0.2564 1.1345 1.1371 2.0930 2.0936 4.8683 4.8702 10.9436 10.9459 11.9492 11.9495 12.2488 12.2522 k =-0.2961 0.2554 0.5925 ( 3331 PWs) bands (ev): -47.4701 -47.4701 -22.5072 -22.5069 -19.5336 -19.5277 -19.3649 -19.3641 -19.3408 -19.3345 -17.8364 -17.8364 -7.6884 -7.6879 -4.8500 -4.8459 -4.4496 -4.4492 -4.0857 -4.0804 -0.2466 -0.2441 1.1431 1.1456 2.0946 2.0952 4.8871 4.8890 10.9797 10.9823 11.9016 11.9018 12.2168 12.2198 k =-0.3016 0.2602 0.6037 ( 3323 PWs) bands (ev): -47.4701 -47.4701 -22.5066 -22.5063 -19.5340 -19.5282 -19.3657 -19.3647 -19.3411 -19.3346 -17.8370 -17.8370 -7.6964 -7.6958 -4.8398 -4.8358 -4.4461 -4.4456 -4.0901 -4.0849 -0.2335 -0.2309 1.1515 1.1541 2.0959 2.0966 4.9072 4.9089 11.0107 11.0135 11.8524 11.8531 12.1874 12.1901 k =-0.3072 0.2650 0.6149 ( 3331 PWs) bands (ev): -47.4701 -47.4701 -22.5061 -22.5058 -19.5345 -19.5289 -19.3666 -19.3653 -19.3415 -19.3349 -17.8376 -17.8376 -7.7046 -7.7040 -4.8286 -4.8247 -4.4427 -4.4423 -4.0948 -4.0896 -0.2195 -0.2169 1.1598 1.1623 2.0968 2.0976 4.9282 4.9300 11.0363 11.0393 11.8023 11.8033 12.1600 12.1624 k =-0.3128 0.2698 0.6261 ( 3335 PWs) bands (ev): -47.4702 -47.4702 -22.5057 -22.5054 -19.5351 -19.5296 -19.3675 -19.3660 -19.3418 -19.3351 -17.8381 -17.8381 -7.7129 -7.7122 -4.8163 -4.8125 -4.4395 -4.4390 -4.0996 -4.0945 -0.2047 -0.2021 1.1679 1.1705 2.0975 2.0983 4.9504 4.9521 11.0563 11.0595 11.7516 11.7529 12.1344 12.1365 k =-0.3184 0.2747 0.6373 ( 3331 PWs) bands (ev): -47.4702 -47.4702 -22.5053 -22.5050 -19.5356 -19.5302 -19.3684 -19.3667 -19.3420 -19.3352 -17.8386 -17.8386 -7.7213 -7.7206 -4.8030 -4.7993 -4.4364 -4.4359 -4.1045 -4.0996 -0.1892 -0.1866 1.1758 1.1784 2.0979 2.0988 4.9735 4.9752 11.0708 11.0741 11.7002 11.7017 12.1099 12.1118 k =-0.3240 0.2795 0.6484 ( 3335 PWs) bands (ev): -47.4702 -47.4702 -22.5050 -22.5047 -19.5361 -19.5309 -19.3693 -19.3674 -19.3422 -19.3353 -17.8390 -17.8390 -7.7297 -7.7291 -4.7887 -4.7851 -4.4334 -4.4329 -4.1095 -4.1047 -0.1730 -0.1704 1.1836 1.1862 2.0980 2.0989 4.9976 4.9992 11.0797 11.0832 11.6483 11.6501 12.0863 12.0880 k =-0.3296 0.2843 0.6596 ( 3331 PWs) bands (ev): -47.4703 -47.4703 -22.5048 -22.5045 -19.5367 -19.5316 -19.3703 -19.3681 -19.3423 -19.3354 -17.8394 -17.8394 -7.7383 -7.7376 -4.7736 -4.7700 -4.4306 -4.4301 -4.1147 -4.1100 -0.1561 -0.1535 1.1912 1.1938 2.0979 2.0988 5.0224 5.0241 11.0832 11.0867 11.5960 11.5978 12.0634 12.0648 k =-0.3352 0.2891 0.6708 ( 3335 PWs) bands (ev): -47.4703 -47.4703 -22.5046 -22.5043 -19.5373 -19.5324 -19.3712 -19.3689 -19.3424 -19.3355 -17.8397 -17.8397 -7.7469 -7.7462 -4.7576 -4.7541 -4.4279 -4.4274 -4.1199 -4.1154 -0.1387 -0.1361 1.1986 1.2012 2.0976 2.0985 5.0480 5.0496 11.0816 11.0851 11.5430 11.5450 12.0409 12.0421 k =-0.3407 0.2939 0.6820 ( 3325 PWs) bands (ev): -47.4703 -47.4703 -22.5045 -22.5042 -19.5378 -19.5331 -19.3721 -19.3696 -19.3424 -19.3355 -17.8399 -17.8399 -7.7555 -7.7548 -4.7408 -4.7374 -4.4254 -4.4249 -4.1252 -4.1208 -0.1208 -0.1181 1.2058 1.2084 2.0970 2.0980 5.0743 5.0759 11.0751 11.0786 11.4895 11.4914 12.0187 12.0197 k =-0.3463 0.2987 0.6931 ( 3321 PWs) bands (ev): -47.4704 -47.4704 -22.5044 -22.5041 -19.5385 -19.5339 -19.3730 -19.3704 -19.3424 -19.3355 -17.8402 -17.8402 -7.7641 -7.7634 -4.7234 -4.7201 -4.4229 -4.4224 -4.1306 -4.1263 -0.1024 -0.0997 1.2128 1.2154 2.0962 2.0972 5.1011 5.1026 11.0642 11.0676 11.4351 11.4370 11.9968 11.9977 k =-0.3519 0.3036 0.7043 ( 3309 PWs) bands (ev): -47.4704 -47.4704 -22.5044 -22.5041 -19.5390 -19.5347 -19.3739 -19.3711 -19.3423 -19.3355 -17.8403 -17.8403 -7.7727 -7.7720 -4.7054 -4.7021 -4.4206 -4.4201 -4.1361 -4.1318 -0.0836 -0.0809 1.2196 1.2222 2.0953 2.0963 5.1284 5.1299 11.0492 11.0525 11.3799 11.3817 11.9752 11.9759 k =-0.3519 0.3036 0.7043 ( 3309 PWs) bands (ev): -47.4704 -47.4704 -22.5044 -22.5041 -19.5390 -19.5347 -19.3739 -19.3711 -19.3423 -19.3355 -17.8403 -17.8403 -7.7727 -7.7720 -4.7054 -4.7021 -4.4206 -4.4201 -4.1361 -4.1318 -0.0836 -0.0809 1.2196 1.2222 2.0953 2.0963 5.1284 5.1299 11.0492 11.0525 11.3799 11.3817 11.9752 11.9759 k =-0.3440 0.2967 0.7113 ( 3314 PWs) bands (ev): -47.4704 -47.4704 -22.5044 -22.5041 -19.5391 -19.5347 -19.3739 -19.3712 -19.3423 -19.3355 -17.8403 -17.8403 -7.7722 -7.7715 -4.7053 -4.7021 -4.4212 -4.4206 -4.1357 -4.1315 -0.0841 -0.0815 1.2181 1.2208 2.0958 2.0970 5.1286 5.1301 11.0469 11.0502 11.3810 11.3828 11.9759 11.9766 k =-0.3360 0.2898 0.7182 ( 3320 PWs) bands (ev): -47.4704 -47.4704 -22.5044 -22.5042 -19.5392 -19.5348 -19.3740 -19.3712 -19.3423 -19.3355 -17.8403 -17.8402 -7.7708 -7.7701 -4.7052 -4.7020 -4.4228 -4.4221 -4.1348 -4.1305 -0.0857 -0.0830 1.2138 1.2167 2.0972 2.0990 5.1290 5.1305 11.0401 11.0432 11.3845 11.3863 11.9778 11.9787 k =-0.3360 0.2898 0.7182 ( 3320 PWs) bands (ev): -47.4704 -47.4704 -22.5044 -22.5042 -19.5392 -19.5348 -19.3740 -19.3712 -19.3423 -19.3355 -17.8403 -17.8402 -7.7708 -7.7701 -4.7052 -4.7020 -4.4228 -4.4221 -4.1348 -4.1305 -0.0857 -0.0830 1.2138 1.2167 2.0972 2.0990 5.1290 5.1305 11.0401 11.0432 11.3845 11.3863 11.9778 11.9787 k =-0.3258 0.2810 0.7182 ( 3320 PWs) bands (ev): -47.4704 -47.4704 -22.5045 -22.5042 -19.5389 -19.5344 -19.3736 -19.3708 -19.3423 -19.3355 -17.8402 -17.8400 -7.7640 -7.7633 -4.7151 -4.7118 -4.4263 -4.4254 -4.1304 -4.1260 -0.0984 -0.0957 1.2042 1.2073 2.1000 2.1022 5.1147 5.1162 11.0399 11.0430 11.4208 11.4227 11.9926 11.9936 k =-0.3156 0.2723 0.7182 ( 3318 PWs) bands (ev): -47.4704 -47.4704 -22.5045 -22.5043 -19.5386 -19.5340 -19.3732 -19.3705 -19.3423 -19.3354 -17.8399 -17.8398 -7.7565 -7.7558 -4.7247 -4.7215 -4.4304 -4.4294 -4.1256 -4.1212 -0.1118 -0.1090 1.1927 1.1961 2.1034 2.1060 5.1008 5.1023 11.0366 11.0397 11.4591 11.4610 12.0084 12.0096 k =-0.3054 0.2635 0.7182 ( 3320 PWs) bands (ev): -47.4703 -47.4703 -22.5046 -22.5043 -19.5384 -19.5337 -19.3729 -19.3702 -19.3423 -19.3353 -17.8396 -17.8394 -7.7483 -7.7477 -4.7342 -4.7310 -4.4351 -4.4340 -4.1205 -4.1160 -0.1259 -0.1231 1.1796 1.1832 2.1074 2.1104 5.0874 5.0889 11.0309 11.0339 11.4993 11.5012 12.0253 12.0267 k =-0.2953 0.2547 0.7182 ( 3318 PWs) bands (ev): -47.4703 -47.4703 -22.5046 -22.5044 -19.5382 -19.5335 -19.3726 -19.3700 -19.3422 -19.3353 -17.8391 -17.8389 -7.7395 -7.7389 -4.7435 -4.7403 -4.4404 -4.4391 -4.1151 -4.1106 -0.1407 -0.1378 1.1650 1.1688 2.1118 2.1152 5.0746 5.0761 11.0235 11.0264 11.5411 11.5431 12.0432 12.0448 k =-0.2851 0.2459 0.7182 ( 3310 PWs) bands (ev): -47.4703 -47.4703 -22.5047 -22.5044 -19.5380 -19.5333 -19.3724 -19.3698 -19.3421 -19.3351 -17.8385 -17.8383 -7.7302 -7.7295 -4.7527 -4.7495 -4.4460 -4.4446 -4.1095 -4.1049 -0.1560 -0.1531 1.1492 1.1532 2.1166 2.1203 5.0624 5.0639 11.0149 11.0177 11.5843 11.5863 12.0620 12.0638 k =-0.2749 0.2371 0.7182 ( 3310 PWs) bands (ev): -47.4703 -47.4703 -22.5048 -22.5045 -19.5379 -19.5332 -19.3723 -19.3697 -19.3420 -19.3351 -17.8378 -17.8376 -7.7203 -7.7196 -4.7617 -4.7586 -4.4519 -4.4504 -4.1038 -4.0991 -0.1719 -0.1690 1.1322 1.1365 2.1217 2.1257 5.0508 5.0524 11.0056 11.0083 11.6284 11.6304 12.0816 12.0836 k =-0.2647 0.2283 0.7182 ( 3307 PWs) bands (ev): -47.4702 -47.4702 -22.5048 -22.5046 -19.5379 -19.5333 -19.3723 -19.3697 -19.3419 -19.3350 -17.8370 -17.8367 -7.7098 -7.7093 -4.7707 -4.7677 -4.4581 -4.4565 -4.0979 -4.0932 -0.1883 -0.1853 1.1144 1.1188 2.1271 2.1312 5.0399 5.0414 10.9959 10.9984 11.6733 11.6753 12.1020 12.1041 k =-0.2545 0.2196 0.7182 ( 3313 PWs) bands (ev): -47.4702 -47.4702 -22.5049 -22.5046 -19.5380 -19.5334 -19.3725 -19.3699 -19.3417 -19.3349 -17.8360 -17.8357 -7.6990 -7.6984 -4.7797 -4.7767 -4.4644 -4.4627 -4.0919 -4.0872 -0.2051 -0.2021 1.0958 1.1004 2.1325 2.1367 5.0296 5.0312 10.9861 10.9885 11.7183 11.7204 12.1230 12.1252 k =-0.2444 0.2108 0.7182 ( 3312 PWs) bands (ev): -47.4702 -47.4702 -22.5049 -22.5046 -19.5381 -19.5337 -19.3727 -19.3701 -19.3416 -19.3348 -17.8348 -17.8345 -7.6878 -7.6872 -4.7886 -4.7858 -4.4706 -4.4688 -4.0859 -4.0812 -0.2222 -0.2192 1.0767 1.0813 2.1380 2.1423 5.0200 5.0215 10.9764 10.9786 11.7634 11.7656 12.1444 12.1468 k =-0.2342 0.2020 0.7182 ( 3312 PWs) bands (ev): -47.4702 -47.4702 -22.5049 -22.5047 -19.5383 -19.5340 -19.3730 -19.3705 -19.3414 -19.3348 -17.8335 -17.8332 -7.6763 -7.6757 -4.7976 -4.7949 -4.4767 -4.4748 -4.0799 -4.0753 -0.2396 -0.2365 1.0572 1.0619 2.1434 2.1478 5.0111 5.0126 10.9669 10.9690 11.8081 11.8103 12.1663 12.1687 k =-0.2240 0.1932 0.7182 ( 3310 PWs) bands (ev): -47.4702 -47.4702 -22.5049 -22.5047 -19.5385 -19.5344 -19.3733 -19.3709 -19.3412 -19.3347 -17.8320 -17.8317 -7.6645 -7.6640 -4.8067 -4.8040 -4.4826 -4.4807 -4.0741 -4.0694 -0.2571 -0.2540 1.0373 1.0420 2.1489 2.1533 5.0029 5.0043 10.9577 10.9597 11.8521 11.8545 12.1885 12.1909 k =-0.2138 0.1844 0.7182 ( 3314 PWs) bands (ev): -47.4702 -47.4702 -22.5049 -22.5046 -19.5388 -19.5349 -19.3738 -19.3714 -19.3410 -19.3347 -17.8305 -17.8301 -7.6525 -7.6520 -4.8159 -4.8133 -4.4882 -4.4862 -4.0683 -4.0637 -0.2746 -0.2715 1.0173 1.0220 2.1542 2.1586 4.9953 4.9967 10.9490 10.9509 11.8951 11.8976 12.2108 12.2132 k =-0.2036 0.1757 0.7182 ( 3317 PWs) bands (ev): -47.4702 -47.4702 -22.5048 -22.5046 -19.5392 -19.5355 -19.3744 -19.3720 -19.3407 -19.3347 -17.8288 -17.8284 -7.6404 -7.6399 -4.8252 -4.8228 -4.4934 -4.4914 -4.0627 -4.0582 -0.2920 -0.2889 0.9972 1.0019 2.1594 2.1638 4.9883 4.9897 10.9407 10.9425 11.9368 11.9396 12.2334 12.2357 k =-0.1934 0.1669 0.7182 ( 3313 PWs) bands (ev): -47.4702 -47.4702 -22.5048 -22.5046 -19.5397 -19.5361 -19.3750 -19.3726 -19.3405 -19.3347 -17.8269 -17.8266 -7.6282 -7.6277 -4.8346 -4.8323 -4.4982 -4.4961 -4.0573 -4.0529 -0.3092 -0.3061 0.9772 0.9819 2.1645 2.1688 4.9821 4.9834 10.9330 10.9347 11.9769 11.9799 12.2561 12.2584 k =-0.1833 0.1581 0.7182 ( 3307 PWs) bands (ev): -47.4701 -47.4701 -22.5047 -22.5045 -19.5401 -19.5368 -19.3757 -19.3734 -19.3402 -19.3347 -17.8250 -17.8247 -7.6160 -7.6156 -4.8442 -4.8420 -4.5024 -4.5003 -4.0522 -4.0478 -0.3261 -0.3231 0.9574 0.9620 2.1694 2.1736 4.9764 4.9777 10.9257 10.9274 12.0151 12.0183 12.2791 12.2813 k =-0.1731 0.1493 0.7182 ( 3311 PWs) bands (ev): -47.4701 -47.4701 -22.5046 -22.5044 -19.5407 -19.5376 -19.3764 -19.3742 -19.3400 -19.3348 -17.8230 -17.8227 -7.6039 -7.6035 -4.8539 -4.8518 -4.5061 -4.5039 -4.0473 -4.0430 -0.3426 -0.3397 0.9378 0.9423 2.1741 2.1782 4.9713 4.9726 10.9190 10.9205 12.0510 12.0545 12.3024 12.3045 k =-0.1629 0.1405 0.7182 ( 3316 PWs) bands (ev): -47.4701 -47.4701 -22.5045 -22.5043 -19.5413 -19.5384 -19.3772 -19.3750 -19.3398 -19.3348 -17.8210 -17.8207 -7.5920 -7.5916 -4.8636 -4.8616 -4.5093 -4.5071 -4.0427 -4.0385 -0.3586 -0.3557 0.9186 0.9230 2.1786 2.1825 4.9667 4.9680 10.9128 10.9142 12.0843 12.0881 12.3263 12.3283 k =-0.1527 0.1317 0.7182 ( 3318 PWs) bands (ev): -47.4701 -47.4701 -22.5044 -22.5042 -19.5420 -19.5392 -19.3779 -19.3759 -19.3395 -19.3349 -17.8189 -17.8186 -7.5803 -7.5799 -4.8733 -4.8715 -4.5118 -4.5096 -4.0384 -4.0343 -0.3741 -0.3713 0.9000 0.9042 2.1828 2.1866 4.9628 4.9639 10.9071 10.9084 12.1147 12.1187 12.3510 12.3529 k =-0.1425 0.1230 0.7182 ( 3320 PWs) bands (ev): -47.4701 -47.4701 -22.5043 -22.5041 -19.5426 -19.5401 -19.3787 -19.3768 -19.3393 -19.3350 -17.8168 -17.8165 -7.5689 -7.5685 -4.8830 -4.8814 -4.5138 -4.5116 -4.0344 -4.0305 -0.3889 -0.3861 0.8819 0.8859 2.1869 2.1904 4.9593 4.9604 10.9019 10.9031 12.1419 12.1461 12.3765 12.3784 k =-0.1324 0.1142 0.7182 ( 3320 PWs) bands (ev): -47.4701 -47.4701 -22.5041 -22.5040 -19.5433 -19.5410 -19.3795 -19.3777 -19.3391 -19.3351 -17.8147 -17.8144 -7.5578 -7.5575 -4.8926 -4.8911 -4.5153 -4.5131 -4.0308 -4.0271 -0.4029 -0.4002 0.8645 0.8684 2.1906 2.1940 4.9562 4.9573 10.8972 10.8983 12.1659 12.1702 12.4029 12.4048 k =-0.1222 0.1054 0.7182 ( 3324 PWs) bands (ev): -47.4701 -47.4701 -22.5040 -22.5038 -19.5440 -19.5419 -19.3803 -19.3786 -19.3389 -19.3352 -17.8127 -17.8124 -7.5472 -7.5470 -4.9020 -4.9006 -4.5162 -4.5141 -4.0275 -4.0239 -0.4161 -0.4136 0.8479 0.8516 2.1942 2.1973 4.9536 4.9546 10.8929 10.8939 12.1866 12.1910 12.4301 12.4320 k =-0.1120 0.0966 0.7182 ( 3324 PWs) bands (ev): -47.4701 -47.4701 -22.5038 -22.5037 -19.5447 -19.5428 -19.3811 -19.3795 -19.3387 -19.3353 -17.8107 -17.8104 -7.5372 -7.5370 -4.9111 -4.9098 -4.5167 -4.5147 -4.0245 -4.0212 -0.4284 -0.4260 0.8323 0.8357 2.1975 2.2004 4.9514 4.9523 10.8890 10.8900 12.2043 12.2086 12.4578 12.4597 k =-0.1018 0.0878 0.7182 ( 3328 PWs) bands (ev): -47.4701 -47.4701 -22.5037 -22.5036 -19.5454 -19.5437 -19.3818 -19.3803 -19.3385 -19.3354 -17.8087 -17.8085 -7.5277 -7.5275 -4.9198 -4.9187 -4.5169 -4.5150 -4.0219 -4.0188 -0.4398 -0.4376 0.8176 0.8208 2.2005 2.2032 4.9495 4.9503 10.8856 10.8864 12.2192 12.2233 12.4856 12.4874 k =-0.0916 0.0790 0.7182 ( 3330 PWs) bands (ev): -47.4701 -47.4701 -22.5035 -22.5034 -19.5460 -19.5446 -19.3825 -19.3811 -19.3383 -19.3356 -17.8069 -17.8067 -7.5189 -7.5187 -4.9280 -4.9270 -4.5167 -4.5149 -4.0196 -4.0167 -0.4502 -0.4481 0.8040 0.8069 2.2032 2.2057 4.9479 4.9487 10.8825 10.8833 12.2316 12.2354 12.5131 12.5148 k =-0.0815 0.0703 0.7182 ( 3329 PWs) bands (ev): -47.4701 -47.4701 -22.5034 -22.5033 -19.5466 -19.5453 -19.3831 -19.3819 -19.3381 -19.3357 -17.8052 -17.8050 -7.5109 -7.5107 -4.9357 -4.9348 -4.5163 -4.5147 -4.0175 -4.0149 -0.4595 -0.4577 0.7916 0.7942 2.2057 2.2079 4.9466 4.9473 10.8799 10.8806 12.2418 12.2453 12.5397 12.5413 k =-0.0713 0.0615 0.7182 ( 3328 PWs) bands (ev): -47.4701 -47.4701 -22.5033 -22.5032 -19.5472 -19.5461 -19.3836 -19.3826 -19.3379 -19.3358 -17.8037 -17.8035 -7.5036 -7.5034 -4.9427 -4.9419 -4.5157 -4.5142 -4.0158 -4.0135 -0.4678 -0.4661 0.7804 0.7828 2.2079 2.2099 4.9456 4.9462 10.8776 10.8782 12.2502 12.2534 12.5648 12.5662 k =-0.0611 0.0527 0.7182 ( 3328 PWs) bands (ev): -47.4701 -47.4701 -22.5031 -22.5031 -19.5477 -19.5468 -19.3841 -19.3832 -19.3377 -19.3359 -17.8023 -17.8021 -7.4971 -7.4970 -4.9489 -4.9482 -4.5150 -4.5137 -4.0143 -4.0123 -0.4750 -0.4735 0.7706 0.7727 2.2099 2.2116 4.9447 4.9453 10.8756 10.8761 12.2570 12.2597 12.5880 12.5892 k =-0.0509 0.0439 0.7182 ( 3324 PWs) bands (ev): -47.4701 -47.4701 -22.5030 -22.5030 -19.5481 -19.5473 -19.3845 -19.3837 -19.3375 -19.3360 -17.8011 -17.8009 -7.4916 -7.4915 -4.9543 -4.9538 -4.5143 -4.5132 -4.0131 -4.0114 -0.4811 -0.4799 0.7622 0.7639 2.2116 2.2130 4.9441 4.9445 10.8740 10.8744 12.2624 12.2647 12.6086 12.6097 k =-0.0407 0.0351 0.7182 ( 3324 PWs) bands (ev): -47.4701 -47.4701 -22.5029 -22.5029 -19.5485 -19.5478 -19.3848 -19.3842 -19.3374 -19.3362 -17.8001 -17.7999 -7.4870 -7.4869 -4.9588 -4.9584 -4.5136 -4.5127 -4.0121 -4.0107 -0.4860 -0.4851 0.7553 0.7567 2.2130 2.2141 4.9436 4.9440 10.8727 10.8730 12.2667 12.2685 12.6263 12.6272 k =-0.0305 0.0263 0.7182 ( 3326 PWs) bands (ev): -47.4701 -47.4701 -22.5029 -22.5028 -19.5487 -19.5483 -19.3851 -19.3846 -19.3372 -19.3363 -17.7993 -17.7992 -7.4834 -7.4833 -4.9624 -4.9621 -4.5130 -4.5122 -4.0113 -4.0102 -0.4899 -0.4892 0.7499 0.7509 2.2141 2.2149 4.9432 4.9435 10.8717 10.8719 12.2699 12.2713 12.6406 12.6413 k =-0.0204 0.0176 0.7182 ( 3330 PWs) bands (ev): -47.4701 -47.4701 -22.5028 -22.5028 -19.5489 -19.5486 -19.3853 -19.3850 -19.3371 -19.3365 -17.7987 -17.7986 -7.4808 -7.4807 -4.9650 -4.9647 -4.5124 -4.5120 -4.0107 -4.0100 -0.4927 -0.4922 0.7461 0.7468 2.2149 2.2155 4.9430 4.9432 10.8710 10.8712 12.2721 12.2731 12.6512 12.6516 k =-0.0102 0.0088 0.7182 ( 3330 PWs) bands (ev): -47.4701 -47.4701 -22.5028 -22.5028 -19.5490 -19.5489 -19.3853 -19.3852 -19.3369 -19.3366 -17.7983 -17.7983 -7.4792 -7.4792 -4.9665 -4.9664 -4.5121 -4.5118 -4.0102 -4.0099 -0.4943 -0.4940 0.7438 0.7442 2.2155 2.2158 4.9429 4.9430 10.8706 10.8707 12.2736 12.2740 12.6577 12.6579 k = 0.0000 0.0000 0.7182 ( 3334 PWs) bands (ev): -47.4701 -47.4701 -22.5028 -22.5028 -19.5490 -19.5490 -19.3853 -19.3853 -19.3368 -19.3368 -17.7982 -17.7982 -7.4787 -7.4787 -4.9670 -4.9670 -4.5119 -4.5119 -4.0100 -4.0100 -0.4947 -0.4947 0.7432 0.7432 2.2158 2.2158 4.9429 4.9429 10.8705 10.8705 12.2742 12.2742 12.6599 12.6599 k = 0.0000 0.0000 0.7182 ( 3334 PWs) bands (ev): -47.4701 -47.4701 -22.5028 -22.5028 -19.5490 -19.5490 -19.3853 -19.3853 -19.3368 -19.3368 -17.7982 -17.7982 -7.4787 -7.4787 -4.9670 -4.9670 -4.5119 -4.5119 -4.0100 -4.0100 -0.4947 -0.4947 0.7432 0.7432 2.2158 2.2158 4.9429 4.9429 10.8705 10.8705 12.2742 12.2742 12.6599 12.6599 k = 0.0086 0.0100 0.7182 ( 3330 PWs) bands (ev): -47.4701 -47.4701 -22.5028 -22.5028 -19.5493 -19.5487 -19.3857 -19.3849 -19.3368 -19.3367 -17.7982 -17.7982 -7.4787 -7.4787 -4.9672 -4.9670 -4.5118 -4.5116 -4.0102 -4.0101 -0.4945 -0.4944 0.7432 0.7432 2.2158 2.2158 4.9428 4.9430 10.8713 10.8715 12.2742 12.2744 12.6579 12.6584 k = 0.0172 0.0200 0.7182 ( 3322 PWs) bands (ev): -47.4700 -47.4700 -22.5028 -22.5028 -19.5495 -19.5483 -19.3860 -19.3845 -19.3367 -19.3365 -17.7983 -17.7981 -7.4789 -7.4789 -4.9678 -4.9674 -4.5115 -4.5109 -4.0106 -4.0104 -0.4937 -0.4934 0.7433 0.7434 2.2160 2.2160 4.9426 4.9431 10.8738 10.8742 12.2744 12.2749 12.6524 12.6534 k = 0.0259 0.0300 0.7182 ( 3324 PWs) bands (ev): -47.4701 -47.4701 -22.5029 -22.5029 -19.5497 -19.5480 -19.3863 -19.3841 -19.3367 -19.3364 -17.7983 -17.7981 -7.4793 -7.4792 -4.9687 -4.9681 -4.5108 -4.5100 -4.0114 -4.0111 -0.4923 -0.4919 0.7434 0.7435 2.2163 2.2163 4.9424 4.9431 10.8780 10.8787 12.2749 12.2755 12.6434 12.6449 k = 0.0345 0.0400 0.7182 ( 3322 PWs) bands (ev): -47.4701 -47.4701 -22.5030 -22.5030 -19.5499 -19.5476 -19.3866 -19.3837 -19.3366 -19.3361 -17.7984 -17.7981 -7.4798 -7.4797 -4.9698 -4.9691 -4.5099 -4.5088 -4.0124 -4.0120 -0.4904 -0.4899 0.7435 0.7437 2.2166 2.2166 4.9422 4.9432 10.8839 10.8848 12.2755 12.2763 12.6311 12.6331 k = 0.0431 0.0500 0.7182 ( 3322 PWs) bands (ev): -47.4701 -47.4701 -22.5032 -22.5032 -19.5501 -19.5473 -19.3870 -19.3832 -19.3364 -19.3359 -17.7985 -17.7981 -7.4803 -7.4803 -4.9713 -4.9703 -4.5086 -4.5073 -4.0138 -4.0133 -0.4880 -0.4873 0.7437 0.7440 2.2171 2.2171 4.9419 4.9432 10.8916 10.8927 12.2763 12.2774 12.6156 12.6180 k = 0.0517 0.0600 0.7182 ( 3322 PWs) bands (ev): -47.4700 -47.4700 -22.5034 -22.5034 -19.5502 -19.5469 -19.3873 -19.3828 -19.3362 -19.3356 -17.7986 -17.7982 -7.4811 -7.4809 -4.9730 -4.9719 -4.5071 -4.5056 -4.0153 -4.0147 -0.4851 -0.4843 0.7440 0.7443 2.2176 2.2176 4.9417 4.9432 10.9009 10.9023 12.2774 12.2786 12.5970 12.5999 k = 0.0603 0.0700 0.7182 ( 3322 PWs) bands (ev): -47.4700 -47.4700 -22.5036 -22.5036 -19.5504 -19.5465 -19.3875 -19.3824 -19.3360 -19.3352 -17.7987 -17.7982 -7.4819 -7.4817 -4.9749 -4.9737 -4.5054 -4.5036 -4.0171 -4.0164 -0.4817 -0.4808 0.7443 0.7447 2.2183 2.2183 4.9414 4.9431 10.9119 10.9135 12.2786 12.2801 12.5756 12.5789 k = 0.0690 0.0800 0.7182 ( 3320 PWs) bands (ev): -47.4700 -47.4700 -22.5038 -22.5038 -19.5505 -19.5461 -19.3878 -19.3819 -19.3357 -19.3348 -17.7988 -17.7982 -7.4828 -7.4826 -4.9771 -4.9756 -4.5034 -4.5014 -4.0191 -4.0183 -0.4780 -0.4769 0.7447 0.7451 2.2190 2.2190 4.9411 4.9430 10.9245 10.9263 12.2800 12.2816 12.5516 12.5553 k = 0.0776 0.0899 0.7182 ( 3330 PWs) bands (ev): -47.4701 -47.4701 -22.5041 -22.5041 -19.5506 -19.5457 -19.3881 -19.3815 -19.3355 -19.3345 -17.7989 -17.7983 -7.4838 -7.4836 -4.9794 -4.9778 -4.5013 -4.4991 -4.0213 -4.0204 -0.4738 -0.4727 0.7450 0.7455 2.2198 2.2198 4.9408 4.9429 10.9387 10.9406 12.2815 12.2834 12.5251 12.5292 k = 0.0862 0.0999 0.7182 ( 3326 PWs) bands (ev): -47.4701 -47.4701 -22.5044 -22.5044 -19.5507 -19.5452 -19.3883 -19.3811 -19.3351 -19.3340 -17.7990 -17.7983 -7.4849 -7.4847 -4.9818 -4.9801 -4.4989 -4.4966 -4.0236 -4.0226 -0.4694 -0.4681 0.7455 0.7460 2.2206 2.2207 4.9404 4.9428 10.9544 10.9565 12.2832 12.2853 12.4965 12.5008 k = 0.0948 0.1099 0.7182 ( 3324 PWs) bands (ev): -47.4701 -47.4701 -22.5047 -22.5047 -19.5507 -19.5448 -19.3886 -19.3806 -19.3348 -19.3335 -17.7991 -17.7984 -7.4860 -7.4858 -4.9844 -4.9826 -4.4965 -4.4939 -4.0260 -4.0250 -0.4647 -0.4633 0.7459 0.7465 2.2216 2.2216 4.9401 4.9427 10.9715 10.9739 12.2850 12.2873 12.4659 12.4706 k = 0.1034 0.1199 0.7182 ( 3328 PWs) bands (ev): -47.4701 -47.4701 -22.5050 -22.5050 -19.5508 -19.5444 -19.3888 -19.3802 -19.3344 -19.3331 -17.7993 -17.7984 -7.4872 -7.4870 -4.9871 -4.9851 -4.4940 -4.4912 -4.0285 -4.0274 -0.4598 -0.4583 0.7464 0.7470 2.2225 2.2225 4.9397 4.9425 10.9900 10.9926 12.2870 12.2894 12.4337 12.4386 k = 0.1121 0.1299 0.7182 ( 3332 PWs) bands (ev): -47.4701 -47.4701 -22.5053 -22.5053 -19.5508 -19.5440 -19.3890 -19.3798 -19.3340 -19.3326 -17.7994 -17.7985 -7.4884 -7.4882 -4.9898 -4.9877 -4.4915 -4.4885 -4.0311 -4.0300 -0.4548 -0.4532 0.7469 0.7475 2.2235 2.2235 4.9393 4.9424 11.0099 11.0126 12.2890 12.2915 12.4000 12.4051 k = 0.1207 0.1399 0.7182 ( 3328 PWs) bands (ev): -47.4701 -47.4701 -22.5056 -22.5056 -19.5509 -19.5436 -19.3892 -19.3794 -19.3336 -19.3320 -17.7995 -17.7986 -7.4897 -7.4894 -4.9925 -4.9903 -4.4889 -4.4858 -4.0338 -4.0325 -0.4497 -0.4479 0.7474 0.7480 2.2246 2.2246 4.9390 4.9422 11.0309 11.0339 12.2910 12.2938 12.3652 12.3705 k = 0.1293 0.1499 0.7182 ( 3324 PWs) bands (ev): -47.4700 -47.4700 -22.5060 -22.5060 -19.5509 -19.5431 -19.3894 -19.3790 -19.3332 -19.3315 -17.7996 -17.7986 -7.4909 -7.4907 -4.9951 -4.9929 -4.4863 -4.4830 -4.0364 -4.0351 -0.4445 -0.4427 0.7479 0.7486 2.2256 2.2256 4.9386 4.9420 11.0531 11.0562 12.2931 12.2960 12.3294 12.3350 k = 0.1379 0.1599 0.7182 ( 3314 PWs) bands (ev): -47.4700 -47.4700 -22.5063 -22.5063 -19.5508 -19.5427 -19.3895 -19.3786 -19.3327 -19.3309 -17.7997 -17.7987 -7.4921 -7.4919 -4.9978 -4.9954 -4.4837 -4.4803 -4.0390 -4.0376 -0.4394 -0.4375 0.7484 0.7491 2.2267 2.2267 4.9383 4.9419 11.0763 11.0795 12.2926 12.2957 12.2981 12.2990 k = 0.1466 0.1699 0.7182 ( 3312 PWs) bands (ev): -47.4700 -47.4700 -22.5066 -22.5066 -19.5508 -19.5423 -19.3897 -19.3783 -19.3323 -19.3304 -17.7999 -17.7988 -7.4934 -7.4931 -5.0003 -4.9979 -4.4812 -4.4777 -4.0415 -4.0401 -0.4344 -0.4324 0.7489 0.7497 2.2277 2.2278 4.9380 4.9417 11.1002 11.1036 12.2563 12.2622 12.2975 12.3006 k = 0.1552 0.1799 0.7182 ( 3314 PWs) bands (ev): -47.4700 -47.4700 -22.5069 -22.5069 -19.5508 -19.5419 -19.3898 -19.3779 -19.3319 -19.3299 -17.8000 -17.7988 -7.4946 -7.4943 -5.0028 -5.0003 -4.4788 -4.4752 -4.0440 -4.0425 -0.4296 -0.4275 0.7493 0.7502 2.2288 2.2288 4.9377 4.9415 11.1248 11.1284 12.2195 12.2255 12.2995 12.3028 k = 0.1638 0.1899 0.7182 ( 3312 PWs) bands (ev): -47.4700 -47.4700 -22.5072 -22.5072 -19.5508 -19.5416 -19.3900 -19.3776 -19.3315 -19.3295 -17.8001 -17.7989 -7.4957 -7.4954 -5.0051 -5.0026 -4.4765 -4.4728 -4.0464 -4.0448 -0.4249 -0.4228 0.7498 0.7506 2.2298 2.2298 4.9374 4.9414 11.1498 11.1535 12.1831 12.1892 12.3016 12.3049 k = 0.1724 0.1999 0.7182 ( 3316 PWs) bands (ev): -47.4700 -47.4700 -22.5075 -22.5075 -19.5507 -19.5413 -19.3901 -19.3773 -19.3312 -19.3290 -17.8002 -17.7990 -7.4968 -7.4965 -5.0073 -5.0047 -4.4744 -4.4706 -4.0486 -4.0470 -0.4206 -0.4184 0.7502 0.7511 2.2307 2.2307 4.9371 4.9412 11.1750 11.1788 12.1473 12.1535 12.3035 12.3070 k = 0.1810 0.2099 0.7182 ( 3318 PWs) bands (ev): -47.4700 -47.4700 -22.5078 -22.5078 -19.5507 -19.5410 -19.3902 -19.3771 -19.3308 -19.3287 -17.8003 -17.7990 -7.4978 -7.4975 -5.0093 -5.0067 -4.4725 -4.4686 -4.0506 -4.0490 -0.4165 -0.4143 0.7506 0.7515 2.2315 2.2315 4.9368 4.9410 11.2000 11.2039 12.1125 12.1188 12.3053 12.3089 k = 0.1897 0.2199 0.7182 ( 3318 PWs) bands (ev): -47.4700 -47.4700 -22.5080 -22.5080 -19.5507 -19.5407 -19.3903 -19.3768 -19.3305 -19.3283 -17.8004 -17.7991 -7.4987 -7.4984 -5.0112 -5.0085 -4.4707 -4.4668 -4.0525 -4.0508 -0.4129 -0.4106 0.7510 0.7519 2.2323 2.2323 4.9366 4.9409 11.2244 11.2284 12.0793 12.0857 12.3070 12.3107 k = 0.1983 0.2299 0.7182 ( 3320 PWs) bands (ev): -47.4700 -47.4700 -22.5082 -22.5082 -19.5507 -19.5405 -19.3904 -19.3766 -19.3303 -19.3280 -17.8004 -17.7992 -7.4995 -7.4992 -5.0128 -5.0100 -4.4691 -4.4651 -4.0542 -4.0525 -0.4096 -0.4073 0.7513 0.7522 2.2330 2.2331 4.9364 4.9408 11.2478 11.2519 12.0482 12.0547 12.3085 12.3122 k = 0.2069 0.2399 0.7182 ( 3320 PWs) bands (ev): -47.4700 -47.4700 -22.5084 -22.5084 -19.5507 -19.5403 -19.3905 -19.3765 -19.3300 -19.3277 -17.8005 -17.7992 -7.5002 -7.4999 -5.0142 -5.0114 -4.4678 -4.4637 -4.0556 -4.0539 -0.4068 -0.4044 0.7516 0.7525 2.2337 2.2337 4.9362 4.9407 11.2695 11.2737 12.0199 12.0264 12.3099 12.3136 k = 0.2155 0.2498 0.7182 ( 3318 PWs) bands (ev): -47.4700 -47.4700 -22.5085 -22.5085 -19.5507 -19.5401 -19.3905 -19.3763 -19.3298 -19.3274 -17.8006 -17.7992 -7.5008 -7.5005 -5.0153 -5.0125 -4.4667 -4.4626 -4.0568 -4.0550 -0.4044 -0.4020 0.7518 0.7528 2.2342 2.2342 4.9360 4.9406 11.2889 11.2931 11.9950 12.0015 12.3110 12.3148 k = 0.2241 0.2598 0.7182 ( 3318 PWs) bands (ev): -47.4700 -47.4700 -22.5087 -22.5087 -19.5506 -19.5400 -19.3906 -19.3762 -19.3296 -19.3272 -17.8006 -17.7993 -7.5013 -7.5009 -5.0162 -5.0134 -4.4658 -4.4616 -4.0577 -4.0559 -0.4025 -0.4001 0.7520 0.7530 2.2346 2.2347 4.9359 4.9405 11.3052 11.3094 11.9744 11.9810 12.3119 12.3157 k = 0.2328 0.2698 0.7182 ( 3316 PWs) bands (ev): -47.4700 -47.4700 -22.5088 -22.5087 -19.5506 -19.5399 -19.3906 -19.3761 -19.3295 -19.3271 -17.8006 -17.7993 -7.5016 -7.5013 -5.0169 -5.0141 -4.4651 -4.4610 -4.0584 -4.0566 -0.4012 -0.3987 0.7521 0.7531 2.2349 2.2350 4.9358 4.9405 11.3176 11.3219 11.9589 11.9655 12.3125 12.3164 k = 0.2414 0.2798 0.7182 ( 3318 PWs) bands (ev): -47.4700 -47.4700 -22.5088 -22.5088 -19.5506 -19.5399 -19.3906 -19.3761 -19.3294 -19.3270 -17.8007 -17.7993 -7.5018 -7.5015 -5.0173 -5.0144 -4.4647 -4.4606 -4.0588 -4.0570 -0.4004 -0.3979 0.7522 0.7532 2.2351 2.2351 4.9358 4.9404 11.3254 11.3297 11.9493 11.9559 12.3129 12.3168 k = 0.2500 0.2898 0.7182 ( 3320 PWs) bands (ev): -47.4700 -47.4700 -22.5088 -22.5088 -19.5506 -19.5398 -19.3907 -19.3761 -19.3294 -19.3270 -17.8007 -17.7993 -7.5019 -7.5015 -5.0174 -5.0146 -4.4646 -4.4604 -4.0589 -4.0572 -0.4001 -0.3977 0.7522 0.7532 2.2352 2.2352 4.9358 4.9404 11.3280 11.3323 11.9460 11.9526 12.3130 12.3169 k = 0.2500 0.2898 0.7182 ( 3320 PWs) bands (ev): -47.4700 -47.4700 -22.5088 -22.5088 -19.5506 -19.5398 -19.3907 -19.3761 -19.3294 -19.3270 -17.8007 -17.7993 -7.5019 -7.5015 -5.0174 -5.0146 -4.4646 -4.4604 -4.0589 -4.0572 -0.4001 -0.3977 0.7522 0.7532 2.2352 2.2352 4.9358 4.9404 11.3280 11.3323 11.9460 11.9526 12.3130 12.3169 k = 0.2417 0.2970 0.7109 ( 3320 PWs) bands (ev): -47.4700 -47.4700 -22.5089 -22.5089 -19.5506 -19.5398 -19.3906 -19.3760 -19.3294 -19.3270 -17.8007 -17.7994 -7.5023 -7.5020 -5.0168 -5.0140 -4.4651 -4.4609 -4.0588 -4.0570 -0.4000 -0.3976 0.7533 0.7543 2.2350 2.2350 4.9356 4.9402 11.3274 11.3316 11.9324 11.9386 12.3281 12.3316 k = 0.2333 0.3042 0.7037 ( 3318 PWs) bands (ev): -47.4700 -47.4700 -22.5090 -22.5089 -19.5503 -19.5396 -19.3904 -19.3759 -19.3294 -19.3269 -17.8010 -17.7996 -7.5037 -7.5033 -5.0150 -5.0122 -4.4666 -4.4624 -4.0583 -4.0564 -0.3998 -0.3973 0.7564 0.7574 2.2343 2.2344 4.9350 4.9396 11.3254 11.3296 11.8967 11.9020 12.3679 12.3704 k = 0.2250 0.3114 0.6964 ( 3324 PWs) bands (ev): -47.4700 -47.4700 -22.5091 -22.5091 -19.5500 -19.5393 -19.3901 -19.3756 -19.3294 -19.3269 -17.8014 -17.8001 -7.5059 -7.5056 -5.0121 -5.0093 -4.4691 -4.4648 -4.0575 -4.0555 -0.3993 -0.3969 0.7616 0.7625 2.2333 2.2334 4.9340 4.9386 11.3220 11.3263 11.8480 11.8525 12.4227 12.4243 k = 0.2167 0.3186 0.6892 ( 3324 PWs) bands (ev): -47.4700 -47.4700 -22.5093 -22.5093 -19.5495 -19.5389 -19.3896 -19.3753 -19.3294 -19.3269 -17.8020 -17.8006 -7.5090 -7.5087 -5.0081 -5.0053 -4.4723 -4.4680 -4.0565 -4.0544 -0.3987 -0.3964 0.7687 0.7697 2.2319 2.2321 4.9326 4.9372 11.3175 11.3216 11.7929 11.7967 12.4856 12.4864 k = 0.2083 0.3258 0.6819 ( 3324 PWs) bands (ev): -47.4700 -47.4700 -22.5096 -22.5096 -19.5488 -19.5384 -19.3890 -19.3748 -19.3293 -19.3269 -17.8027 -17.8013 -7.5129 -7.5126 -5.0031 -5.0002 -4.4764 -4.4720 -4.0553 -4.0530 -0.3979 -0.3956 0.7777 0.7787 2.2301 2.2303 4.9309 4.9354 11.3116 11.3157 11.7348 11.7382 12.5529 12.5532 k = 0.2000 0.3330 0.6746 ( 3326 PWs) bands (ev): -47.4700 -47.4700 -22.5100 -22.5100 -19.5481 -19.5378 -19.3883 -19.3743 -19.3293 -19.3268 -17.8035 -17.8022 -7.5176 -7.5173 -4.9971 -4.9943 -4.4810 -4.4765 -4.0541 -4.0516 -0.3969 -0.3947 0.7886 0.7895 2.2279 2.2282 4.9288 4.9332 11.3045 11.3086 11.6757 11.6788 12.6219 12.6225 k = 0.1917 0.3401 0.6674 ( 3320 PWs) bands (ev): -47.4700 -47.4700 -22.5104 -22.5104 -19.5472 -19.5370 -19.3874 -19.3736 -19.3292 -19.3267 -17.8045 -17.8032 -7.5230 -7.5227 -4.9903 -4.9874 -4.4860 -4.4815 -4.0528 -4.0502 -0.3957 -0.3935 0.8011 0.8021 2.2255 2.2258 4.9263 4.9307 11.2963 11.3003 11.6168 11.6196 12.6914 12.6926 k = 0.1833 0.3473 0.6601 ( 3318 PWs) bands (ev): -47.4700 -47.4700 -22.5108 -22.5108 -19.5462 -19.5363 -19.3864 -19.3729 -19.3291 -19.3266 -17.8056 -17.8043 -7.5290 -7.5287 -4.9827 -4.9798 -4.4914 -4.4868 -4.0516 -4.0488 -0.3942 -0.3922 0.8151 0.8161 2.2227 2.2230 4.9236 4.9279 11.2870 11.2908 11.5587 11.5613 12.7603 12.7621 k = 0.1750 0.3545 0.6529 ( 3316 PWs) bands (ev): -47.4700 -47.4700 -22.5113 -22.5113 -19.5451 -19.5354 -19.3853 -19.3721 -19.3290 -19.3265 -17.8068 -17.8056 -7.5355 -7.5352 -4.9746 -4.9717 -4.4968 -4.4921 -4.0506 -4.0477 -0.3925 -0.3906 0.8305 0.8314 2.2196 2.2200 4.9205 4.9247 11.2767 11.2803 11.5018 11.5042 12.8276 12.8300 k = 0.1667 0.3617 0.6456 ( 3314 PWs) bands (ev): -47.4700 -47.4700 -22.5118 -22.5118 -19.5439 -19.5345 -19.3842 -19.3712 -19.3289 -19.3264 -17.8081 -17.8069 -7.5426 -7.5423 -4.9660 -4.9631 -4.5022 -4.4974 -4.0499 -4.0468 -0.3906 -0.3887 0.8470 0.8480 2.2163 2.2167 4.9171 4.9213 11.2654 11.2689 11.4464 11.4488 12.8920 12.8950 k = 0.1583 0.3689 0.6383 ( 3316 PWs) bands (ev): -47.4700 -47.4700 -22.5124 -22.5124 -19.5427 -19.5336 -19.3829 -19.3703 -19.3288 -19.3264 -17.8095 -17.8084 -7.5500 -7.5497 -4.9571 -4.9542 -4.5073 -4.5025 -4.0495 -4.0464 -0.3885 -0.3867 0.8646 0.8656 2.2128 2.2132 4.9136 4.9176 11.2532 11.2565 11.3928 11.3951 12.9524 12.9560 k = 0.1500 0.3761 0.6311 ( 3318 PWs) bands (ev): -47.4700 -47.4700 -22.5130 -22.5130 -19.5415 -19.5326 -19.3816 -19.3694 -19.3286 -19.3263 -17.8110 -17.8099 -7.5578 -7.5575 -4.9481 -4.9452 -4.5120 -4.5071 -4.0495 -4.0463 -0.3861 -0.3844 0.8830 0.8839 2.2091 2.2096 4.9098 4.9137 11.2401 11.2430 11.3414 11.3437 13.0076 13.0117 k = 0.1417 0.3833 0.6238 ( 3316 PWs) bands (ev): -47.4700 -47.4700 -22.5136 -22.5136 -19.5401 -19.5317 -19.3801 -19.3683 -19.3285 -19.3261 -17.8125 -17.8114 -7.5657 -7.5654 -4.9391 -4.9362 -4.5161 -4.5112 -4.0499 -4.0467 -0.3835 -0.3820 0.9020 0.9029 2.2053 2.2058 4.9058 4.9096 11.2259 11.2283 11.2925 11.2950 13.0565 13.0611 k = 0.1333 0.3905 0.6165 ( 3314 PWs) bands (ev): -47.4700 -47.4700 -22.5142 -22.5142 -19.5388 -19.5307 -19.3786 -19.3673 -19.3283 -19.3260 -17.8141 -17.8131 -7.5738 -7.5735 -4.9304 -4.9275 -4.5195 -4.5146 -4.0508 -4.0475 -0.3808 -0.3793 0.9213 0.9223 2.2014 2.2019 4.9017 4.9054 11.2091 11.2107 11.2479 11.2510 13.0982 13.1031 k = 0.1250 0.3976 0.6093 ( 3318 PWs) bands (ev): -47.4700 -47.4700 -22.5148 -22.5148 -19.5375 -19.5298 -19.3771 -19.3663 -19.3281 -19.3259 -17.8157 -17.8147 -7.5819 -7.5816 -4.9220 -4.9191 -4.5220 -4.5171 -4.0523 -4.0489 -0.3779 -0.3765 0.9409 0.9419 2.1975 2.1980 4.8975 4.9010 11.1832 11.1844 11.2139 11.2179 13.1322 13.1373 k = 0.1167 0.4048 0.6020 ( 3316 PWs) bands (ev): -47.4700 -47.4700 -22.5154 -22.5154 -19.5361 -19.5289 -19.3756 -19.3653 -19.3279 -19.3257 -17.8173 -17.8163 -7.5899 -7.5897 -4.9141 -4.9113 -4.5236 -4.5187 -4.0541 -4.0508 -0.3748 -0.3736 0.9605 0.9615 2.1935 2.1941 4.8933 4.8966 11.1460 11.1473 11.1937 11.1975 13.1585 13.1637 k = 0.1083 0.4120 0.5948 ( 3320 PWs) bands (ev): -47.4700 -47.4700 -22.5160 -22.5160 -19.5349 -19.5280 -19.3740 -19.3643 -19.3277 -19.3256 -17.8188 -17.8180 -7.5978 -7.5976 -4.9068 -4.9041 -4.5242 -4.5194 -4.0565 -4.0532 -0.3718 -0.3706 0.9798 0.9808 2.1896 2.1902 4.8890 4.8922 11.1069 11.1081 11.1782 11.1815 13.1776 13.1826 k = 0.1000 0.4192 0.5875 ( 3322 PWs) bands (ev): -47.4700 -47.4700 -22.5166 -22.5166 -19.5336 -19.5272 -19.3725 -19.3634 -19.3275 -19.3255 -17.8204 -17.8196 -7.6055 -7.6053 -4.9002 -4.8977 -4.5237 -4.5190 -4.0593 -4.0560 -0.3686 -0.3676 0.9988 0.9997 2.1858 2.1863 4.8848 4.8878 11.0691 11.0702 11.1639 11.1669 13.1902 13.1950 k = 0.0917 0.4264 0.5802 ( 3324 PWs) bands (ev): -47.4700 -47.4700 -22.5172 -22.5172 -19.5324 -19.5264 -19.3709 -19.3625 -19.3273 -19.3253 -17.8219 -17.8211 -7.6129 -7.6127 -4.8945 -4.8920 -4.5223 -4.5177 -4.0624 -4.0592 -0.3655 -0.3645 1.0171 1.0179 2.1821 2.1826 4.8807 4.8835 11.0335 11.0345 11.1505 11.1532 13.1974 13.2018 k = 0.0833 0.4336 0.5730 ( 3322 PWs) bands (ev): -47.4700 -47.4700 -22.5178 -22.5178 -19.5312 -19.5257 -19.3694 -19.3616 -19.3270 -19.3252 -17.8233 -17.8226 -7.6199 -7.6197 -4.8895 -4.8872 -4.5199 -4.5156 -4.0658 -4.0628 -0.3624 -0.3615 1.0345 1.0354 2.1786 2.1791 4.8768 4.8794 11.0003 11.0013 11.1378 11.1402 13.2003 13.2043 k = 0.0750 0.4408 0.5657 ( 3312 PWs) bands (ev): -47.4700 -47.4700 -22.5183 -22.5183 -19.5300 -19.5251 -19.3679 -19.3608 -19.3267 -19.3250 -17.8246 -17.8240 -7.6264 -7.6262 -4.8853 -4.8832 -4.5167 -4.5127 -4.0695 -4.0666 -0.3594 -0.3586 1.0510 1.0518 2.1753 2.1758 4.8731 4.8755 10.9699 10.9708 11.1258 11.1280 13.1999 13.2035 k = 0.0667 0.4480 0.5584 ( 3318 PWs) bands (ev): -47.4700 -47.4700 -22.5188 -22.5188 -19.5290 -19.5246 -19.3666 -19.3602 -19.3264 -19.3249 -17.8259 -17.8253 -7.6324 -7.6323 -4.8818 -4.8799 -4.5130 -4.5092 -4.0732 -4.0705 -0.3565 -0.3559 1.0663 1.0670 2.1722 2.1727 4.8696 4.8717 10.9422 10.9431 11.1148 11.1167 13.1972 13.2004 k = 0.0583 0.4552 0.5512 ( 3322 PWs) bands (ev): -47.4700 -47.4700 -22.5192 -22.5192 -19.5280 -19.5241 -19.3653 -19.3597 -19.3262 -19.3248 -17.8270 -17.8265 -7.6379 -7.6378 -4.8790 -4.8773 -4.5089 -4.5055 -4.0770 -4.0745 -0.3539 -0.3533 1.0802 1.0808 2.1694 2.1698 4.8665 4.8683 10.9176 10.9183 11.1048 11.1064 13.1931 13.1958 k = 0.0500 0.4623 0.5439 ( 3320 PWs) bands (ev): -47.4700 -47.4700 -22.5196 -22.5196 -19.5271 -19.5237 -19.3641 -19.3592 -19.3259 -19.3247 -17.8280 -17.8276 -7.6427 -7.6426 -4.8768 -4.8753 -4.5046 -4.5016 -4.0806 -4.0783 -0.3515 -0.3510 1.0926 1.0932 2.1669 2.1673 4.8636 4.8653 10.8959 10.8966 11.0959 11.0973 13.1882 13.1905 k = 0.0417 0.4695 0.5367 ( 3316 PWs) bands (ev): -47.4700 -47.4700 -22.5199 -22.5199 -19.5262 -19.5235 -19.3629 -19.3589 -19.3257 -19.3246 -17.8289 -17.8285 -7.6469 -7.6468 -4.8751 -4.8738 -4.5004 -4.4978 -4.0839 -4.0819 -0.3494 -0.3490 1.1033 1.1038 2.1648 2.1651 4.8612 4.8626 10.8775 10.8780 11.0882 11.0894 13.1832 13.1851 k = 0.0333 0.4767 0.5294 ( 3316 PWs) bands (ev): -47.4700 -47.4700 -22.5202 -22.5202 -19.5255 -19.5233 -19.3619 -19.3587 -19.3254 -19.3246 -17.8296 -17.8293 -7.6504 -7.6503 -4.8738 -4.8728 -4.4965 -4.4943 -4.0868 -4.0852 -0.3476 -0.3473 1.1123 1.1127 2.1630 2.1632 4.8592 4.8603 10.8622 10.8627 11.0818 11.0827 13.1785 13.1800 k = 0.0250 0.4839 0.5221 ( 3320 PWs) bands (ev): -47.4700 -47.4700 -22.5204 -22.5204 -19.5249 -19.5232 -19.3611 -19.3586 -19.3252 -19.3246 -17.8302 -17.8300 -7.6531 -7.6531 -4.8729 -4.8721 -4.4931 -4.4915 -4.0891 -4.0879 -0.3462 -0.3459 1.1194 1.1197 2.1616 2.1618 4.8576 4.8584 10.8503 10.8507 11.0768 11.0775 13.1745 13.1757 k = 0.0167 0.4911 0.5149 ( 3326 PWs) bands (ev): -47.4700 -47.4700 -22.5206 -22.5206 -19.5244 -19.5233 -19.3604 -19.3587 -19.3250 -19.3246 -17.8306 -17.8304 -7.6551 -7.6550 -4.8722 -4.8717 -4.4905 -4.4894 -4.0909 -4.0900 -0.3451 -0.3450 1.1245 1.1247 2.1606 2.1607 4.8565 4.8570 10.8418 10.8420 11.0732 11.0736 13.1715 13.1723 k = 0.0083 0.4983 0.5076 ( 3328 PWs) bands (ev): -47.4700 -47.4700 -22.5207 -22.5207 -19.5240 -19.5234 -19.3598 -19.3589 -19.3249 -19.3247 -17.8308 -17.8307 -7.6563 -7.6562 -4.8718 -4.8716 -4.4888 -4.4882 -4.0918 -4.0914 -0.3445 -0.3444 1.1276 1.1277 2.1600 2.1600 4.8559 4.8561 10.8367 10.8368 11.0710 11.0713 13.1697 13.1701 k = 0.0000 0.5055 0.5004 ( 3326 PWs) bands (ev): -47.4700 -47.4700 -22.5207 -22.5207 -19.5237 -19.5237 -19.3593 -19.3593 -19.3247 -19.3247 -17.8309 -17.8309 -7.6566 -7.6566 -4.8716 -4.8716 -4.4880 -4.4880 -4.0920 -4.0920 -0.3442 -0.3442 1.1287 1.1287 2.1598 2.1598 4.8557 4.8557 10.8350 10.8350 11.0704 11.0704 13.1693 13.1693 k = 0.0000 0.5055 0.5004 ( 3326 PWs) bands (ev): -47.4700 -47.4700 -22.5207 -22.5207 -19.5237 -19.5237 -19.3593 -19.3593 -19.3247 -19.3247 -17.8309 -17.8309 -7.6566 -7.6566 -4.8716 -4.8716 -4.4880 -4.4880 -4.0920 -4.0920 -0.3442 -0.3442 1.1287 1.1287 2.1598 2.1598 4.8557 4.8557 10.8350 10.8350 11.0704 11.0704 13.1693 13.1693 k = 0.0104 0.5114 0.4944 ( 3324 PWs) bands (ev): -47.4700 -47.4700 -22.5207 -22.5207 -19.5238 -19.5235 -19.3593 -19.3593 -19.3249 -19.3247 -17.8309 -17.8309 -7.6568 -7.6568 -4.8716 -4.8714 -4.4879 -4.4879 -4.0921 -4.0919 -0.3440 -0.3438 1.1288 1.1289 2.1596 2.1596 4.8559 4.8560 10.8357 10.8357 11.0707 11.0709 13.1679 13.1681 k = 0.0207 0.5173 0.4884 ( 3323 PWs) bands (ev): -47.4700 -47.4700 -22.5206 -22.5206 -19.5240 -19.5234 -19.3594 -19.3593 -19.3251 -19.3246 -17.8309 -17.8309 -7.6572 -7.6571 -4.8713 -4.8709 -4.4876 -4.4875 -4.0922 -4.0917 -0.3431 -0.3428 1.1290 1.1292 2.1591 2.1592 4.8565 4.8567 10.8377 10.8377 11.0717 11.0720 13.1641 13.1644 k = 0.0311 0.5233 0.4824 ( 3320 PWs) bands (ev): -47.4700 -47.4700 -22.5204 -22.5204 -19.5242 -19.5233 -19.3595 -19.3593 -19.3254 -19.3247 -17.8310 -17.8310 -7.6579 -7.6578 -4.8708 -4.8702 -4.4870 -4.4870 -4.0923 -4.0915 -0.3415 -0.3412 1.1294 1.1297 2.1583 2.1585 4.8576 4.8578 10.8411 10.8411 11.0734 11.0739 13.1578 13.1582 k = 0.0414 0.5292 0.4764 ( 3324 PWs) bands (ev): -47.4700 -47.4700 -22.5202 -22.5202 -19.5245 -19.5233 -19.3596 -19.3594 -19.3257 -19.3248 -17.8311 -17.8311 -7.6589 -7.6587 -4.8700 -4.8692 -4.4863 -4.4862 -4.0923 -4.0913 -0.3393 -0.3389 1.1299 1.1304 2.1572 2.1574 4.8590 4.8594 10.8459 10.8459 11.0759 11.0765 13.1490 13.1495 k = 0.0518 0.5352 0.4704 ( 3324 PWs) bands (ev): -47.4701 -47.4701 -22.5199 -22.5199 -19.5248 -19.5234 -19.3598 -19.3596 -19.3261 -19.3250 -17.8313 -17.8313 -7.6601 -7.6599 -4.8689 -4.8680 -4.4853 -4.4852 -4.0923 -4.0911 -0.3365 -0.3359 1.1306 1.1312 2.1558 2.1561 4.8610 4.8614 10.8520 10.8520 11.0790 11.0797 13.1378 13.1384 k = 0.0621 0.5411 0.4644 ( 3322 PWs) bands (ev): -47.4701 -47.4701 -22.5196 -22.5195 -19.5251 -19.5234 -19.3599 -19.3597 -19.3266 -19.3252 -17.8314 -17.8314 -7.6616 -7.6614 -4.8676 -4.8665 -4.4842 -4.4840 -4.0924 -4.0909 -0.3331 -0.3324 1.1315 1.1322 2.1542 2.1545 4.8633 4.8638 10.8593 10.8593 11.0828 11.0836 13.1241 13.1248 k = 0.0725 0.5470 0.4584 ( 3318 PWs) bands (ev): -47.4701 -47.4701 -22.5192 -22.5191 -19.5254 -19.5235 -19.3601 -19.3599 -19.3270 -19.3254 -17.8316 -17.8316 -7.6633 -7.6631 -4.8660 -4.8648 -4.4828 -4.4826 -4.0924 -4.0908 -0.3291 -0.3282 1.1326 1.1335 2.1523 2.1527 4.8661 4.8667 10.8679 10.8679 11.0872 11.0882 13.1079 13.1088 k = 0.0828 0.5530 0.4524 ( 3320 PWs) bands (ev): -47.4701 -47.4701 -22.5187 -22.5186 -19.5258 -19.5236 -19.3604 -19.3601 -19.3276 -19.3257 -17.8319 -17.8319 -7.6653 -7.6651 -4.8641 -4.8627 -4.4812 -4.4811 -4.0925 -4.0906 -0.3245 -0.3235 1.1339 1.1348 2.1502 2.1506 4.8694 4.8701 10.8777 10.8777 11.0922 11.0934 13.0894 13.0904 k = 0.0932 0.5589 0.4464 ( 3322 PWs) bands (ev): -47.4701 -47.4701 -22.5182 -22.5181 -19.5263 -19.5238 -19.3606 -19.3604 -19.3282 -19.3261 -17.8321 -17.8321 -7.6675 -7.6673 -4.8620 -4.8604 -4.4795 -4.4793 -4.0926 -4.0906 -0.3193 -0.3182 1.1354 1.1364 2.1479 2.1483 4.8732 4.8739 10.8886 10.8886 11.0978 11.0991 13.0685 13.0696 k = 0.1035 0.5649 0.4404 ( 3316 PWs) bands (ev): -47.4701 -47.4701 -22.5177 -22.5176 -19.5267 -19.5240 -19.3609 -19.3607 -19.3288 -19.3264 -17.8324 -17.8324 -7.6700 -7.6697 -4.8596 -4.8578 -4.4776 -4.4774 -4.0928 -4.0905 -0.3135 -0.3124 1.1371 1.1382 2.1455 2.1459 4.8774 4.8782 10.9006 10.9006 11.1039 11.1054 13.0452 13.0465 k = 0.1139 0.5708 0.4344 ( 3315 PWs) bands (ev): -47.4701 -47.4701 -22.5171 -22.5169 -19.5271 -19.5242 -19.3612 -19.3611 -19.3295 -19.3269 -17.8327 -17.8327 -7.6727 -7.6724 -4.8568 -4.8549 -4.4756 -4.4753 -4.0931 -4.0906 -0.3073 -0.3060 1.1389 1.1401 2.1429 2.1434 4.8822 4.8830 10.9136 10.9136 11.1106 11.1122 13.0196 13.0210 k = 0.1242 0.5767 0.4284 ( 3316 PWs) bands (ev): -47.4701 -47.4701 -22.5165 -22.5163 -19.5276 -19.5245 -19.3615 -19.3614 -19.3302 -19.3273 -17.8331 -17.8331 -7.6757 -7.6753 -4.8537 -4.8517 -4.4734 -4.4731 -4.0934 -4.0908 -0.3005 -0.2991 1.1409 1.1423 2.1401 2.1407 4.8874 4.8884 10.9275 10.9275 11.1178 11.1195 12.9916 12.9932 k = 0.1346 0.5827 0.4224 ( 3312 PWs) bands (ev): -47.4701 -47.4701 -22.5158 -22.5156 -19.5281 -19.5247 -19.3619 -19.3618 -19.3309 -19.3278 -17.8334 -17.8334 -7.6788 -7.6784 -4.8503 -4.8482 -4.4710 -4.4707 -4.0939 -4.0910 -0.2932 -0.2918 1.1431 1.1446 2.1373 2.1379 4.8932 4.8942 10.9421 10.9421 11.1255 11.1273 12.9613 12.9630 k = 0.1449 0.5886 0.4164 ( 3314 PWs) bands (ev): -47.4701 -47.4701 -22.5151 -22.5149 -19.5286 -19.5251 -19.3623 -19.3622 -19.3317 -19.3283 -17.8338 -17.8338 -7.6822 -7.6818 -4.8466 -4.8444 -4.4686 -4.4683 -4.0945 -4.0914 -0.2855 -0.2839 1.1455 1.1471 2.1344 2.1350 4.8995 4.9006 10.9573 10.9574 11.1337 11.1356 12.9287 12.9305 k = 0.1553 0.5946 0.4104 ( 3315 PWs) bands (ev): -47.4701 -47.4701 -22.5144 -22.5142 -19.5292 -19.5254 -19.3627 -19.3626 -19.3325 -19.3288 -17.8342 -17.8342 -7.6857 -7.6853 -4.8426 -4.8402 -4.4661 -4.4657 -4.0952 -4.0920 -0.2774 -0.2757 1.1481 1.1498 2.1315 2.1321 4.9063 4.9075 10.9729 10.9731 11.1426 11.1445 12.8937 12.8957 k = 0.1656 0.6005 0.4044 ( 3317 PWs) bands (ev): -47.4701 -47.4701 -22.5137 -22.5135 -19.5297 -19.5258 -19.3632 -19.3630 -19.3333 -19.3294 -17.8346 -17.8346 -7.6894 -7.6890 -4.8383 -4.8357 -4.4634 -4.4631 -4.0960 -4.0927 -0.2688 -0.2671 1.1509 1.1526 2.1286 2.1292 4.9137 4.9149 10.9887 10.9889 11.1521 11.1541 12.8564 12.8585 k = 0.1760 0.6064 0.3984 ( 3317 PWs) bands (ev): -47.4701 -47.4701 -22.5129 -22.5127 -19.5303 -19.5262 -19.3638 -19.3634 -19.3341 -19.3299 -17.8350 -17.8350 -7.6933 -7.6929 -4.8336 -4.8309 -4.4607 -4.4604 -4.0970 -4.0936 -0.2599 -0.2581 1.1538 1.1557 2.1257 2.1263 4.9216 4.9228 11.0044 11.0047 11.1625 11.1644 12.8168 12.8189 k = 0.1863 0.6124 0.3924 ( 3316 PWs) bands (ev): -47.4701 -47.4701 -22.5122 -22.5120 -19.5309 -19.5267 -19.3643 -19.3638 -19.3349 -19.3304 -17.8354 -17.8354 -7.6974 -7.6969 -4.8285 -4.8258 -4.4580 -4.4576 -4.0982 -4.0946 -0.2507 -0.2487 1.1570 1.1589 2.1228 2.1235 4.9301 4.9313 11.0196 11.0201 11.1740 11.1758 12.7747 12.7769 k = 0.1967 0.6183 0.3864 ( 3322 PWs) bands (ev): -47.4702 -47.4702 -22.5114 -22.5112 -19.5315 -19.5271 -19.3649 -19.3643 -19.3357 -19.3310 -17.8358 -17.8358 -7.7016 -7.7011 -4.8232 -4.8203 -4.4552 -4.4548 -4.0996 -4.0958 -0.2411 -0.2391 1.1603 1.1623 2.1200 2.1208 4.9390 4.9404 11.0338 11.0346 11.1867 11.1883 12.7303 12.7326 k = 0.2070 0.6242 0.3804 ( 3322 PWs) bands (ev): -47.4702 -47.4702 -22.5107 -22.5105 -19.5320 -19.5276 -19.3655 -19.3647 -19.3365 -19.3315 -17.8362 -17.8362 -7.7060 -7.7054 -4.8175 -4.8145 -4.4524 -4.4520 -4.1011 -4.0972 -0.2313 -0.2292 1.1637 1.1658 2.1173 2.1181 4.9486 4.9500 11.0468 11.0479 11.2010 11.2024 12.6834 12.6858 k = 0.2174 0.6302 0.3744 ( 3322 PWs) bands (ev): -47.4702 -47.4702 -22.5100 -22.5097 -19.5326 -19.5281 -19.3661 -19.3652 -19.3372 -19.3320 -17.8366 -17.8366 -7.7104 -7.7099 -4.8114 -4.8084 -4.4495 -4.4491 -4.1027 -4.0988 -0.2212 -0.2191 1.1673 1.1695 2.1148 2.1156 4.9586 4.9600 11.0582 11.0596 11.2170 11.2181 12.6342 12.6366 k = 0.2277 0.6361 0.3684 ( 3317 PWs) bands (ev): -47.4702 -47.4702 -22.5092 -22.5090 -19.5332 -19.5286 -19.3667 -19.3656 -19.3379 -19.3324 -17.8370 -17.8370 -7.7150 -7.7145 -4.8050 -4.8020 -4.4467 -4.4463 -4.1046 -4.1005 -0.2110 -0.2087 1.1711 1.1733 2.1123 2.1131 4.9692 4.9707 11.0677 11.0694 11.2347 11.2355 12.5827 12.5851 k = 0.2381 0.6421 0.3624 ( 3320 PWs) bands (ev): -47.4702 -47.4702 -22.5086 -22.5083 -19.5338 -19.5291 -19.3673 -19.3660 -19.3386 -19.3329 -17.8374 -17.8374 -7.7197 -7.7191 -4.7983 -4.7952 -4.4440 -4.4435 -4.1066 -4.1025 -0.2005 -0.1982 1.1750 1.1773 2.1100 2.1108 4.9803 4.9818 11.0752 11.0772 11.2542 11.2547 12.5290 12.5314 k = 0.2484 0.6480 0.3564 ( 3324 PWs) bands (ev): -47.4702 -47.4702 -22.5079 -22.5077 -19.5344 -19.5297 -19.3680 -19.3665 -19.3393 -19.3334 -17.8378 -17.8378 -7.7244 -7.7238 -4.7913 -4.7881 -4.4413 -4.4408 -4.1088 -4.1046 -0.1899 -0.1876 1.1789 1.1813 2.1078 2.1087 4.9919 4.9934 11.0806 11.0830 11.2752 11.2753 12.4732 12.4755 k = 0.2588 0.6539 0.3504 ( 3320 PWs) bands (ev): -47.4702 -47.4702 -22.5073 -22.5070 -19.5349 -19.5302 -19.3686 -19.3670 -19.3398 -19.3337 -17.8381 -17.8381 -7.7292 -7.7286 -4.7839 -4.7807 -4.4386 -4.4382 -4.1111 -4.1068 -0.1792 -0.1768 1.1830 1.1854 2.1059 2.1067 5.0040 5.0055 11.0841 11.0868 11.2971 11.2972 12.4155 12.4178 k = 0.2691 0.6599 0.3444 ( 3320 PWs) bands (ev): -47.4702 -47.4702 -22.5067 -22.5065 -19.5354 -19.5307 -19.3692 -19.3674 -19.3404 -19.3341 -17.8385 -17.8385 -7.7341 -7.7335 -4.7763 -4.7730 -4.4361 -4.4356 -4.1135 -4.1092 -0.1685 -0.1660 1.1872 1.1896 2.1040 2.1049 5.0165 5.0181 11.0858 11.0887 11.3195 11.3200 12.3565 12.3586 k = 0.2795 0.6658 0.3384 ( 3319 PWs) bands (ev): -47.4703 -47.4703 -22.5062 -22.5059 -19.5360 -19.5312 -19.3699 -19.3679 -19.3409 -19.3344 -17.8388 -17.8388 -7.7390 -7.7384 -4.7683 -4.7650 -4.4336 -4.4331 -4.1161 -4.1117 -0.1577 -0.1552 1.1913 1.1938 2.1024 2.1033 5.0295 5.0310 11.0859 11.0889 11.3419 11.3426 12.2965 12.2985 k = 0.2898 0.6718 0.3324 ( 3321 PWs) bands (ev): -47.4703 -47.4703 -22.5057 -22.5055 -19.5365 -19.5318 -19.3705 -19.3684 -19.3413 -19.3347 -17.8391 -17.8391 -7.7439 -7.7432 -4.7601 -4.7568 -4.4313 -4.4308 -4.1188 -4.1144 -0.1469 -0.1444 1.1956 1.1981 2.1009 2.1018 5.0428 5.0443 11.0843 11.0875 11.3635 11.3645 12.2364 12.2383 k = 0.3002 0.6777 0.3264 ( 3319 PWs) bands (ev): -47.4703 -47.4703 -22.5053 -22.5051 -19.5370 -19.5323 -19.3711 -19.3689 -19.3416 -19.3350 -17.8394 -17.8394 -7.7488 -7.7481 -4.7516 -4.7483 -4.4291 -4.4286 -4.1215 -4.1172 -0.1361 -0.1336 1.1998 1.2023 2.0996 2.1005 5.0564 5.0580 11.0814 11.0847 11.3832 11.3844 12.1774 12.1791 k = 0.3105 0.6836 0.3204 ( 3317 PWs) bands (ev): -47.4703 -47.4703 -22.5050 -22.5047 -19.5374 -19.5328 -19.3717 -19.3693 -19.3419 -19.3352 -17.8397 -17.8397 -7.7537 -7.7530 -4.7429 -4.7395 -4.4270 -4.4265 -4.1244 -4.1200 -0.1254 -0.1228 1.2040 1.2065 2.0985 2.0994 5.0704 5.0719 11.0772 11.0805 11.3994 11.4008 12.1211 12.1225 k = 0.3209 0.6896 0.3144 ( 3319 PWs) bands (ev): -47.4703 -47.4703 -22.5047 -22.5045 -19.5379 -19.5333 -19.3723 -19.3698 -19.3421 -19.3353 -17.8399 -17.8399 -7.7585 -7.7579 -4.7338 -4.7305 -4.4251 -4.4247 -4.1273 -4.1229 -0.1148 -0.1122 1.2080 1.2106 2.0975 2.0984 5.0846 5.0862 11.0717 11.0751 11.4099 11.4114 12.0697 12.0710 k = 0.3312 0.6955 0.3084 ( 3323 PWs) bands (ev): -47.4704 -47.4704 -22.5045 -22.5043 -19.5383 -19.5338 -19.3729 -19.3703 -19.3423 -19.3355 -17.8401 -17.8401 -7.7633 -7.7627 -4.7246 -4.7213 -4.4235 -4.4230 -4.1302 -4.1259 -0.1043 -0.1016 1.2120 1.2146 2.0966 2.0976 5.0991 5.1006 11.0652 11.0686 11.4119 11.4137 12.0263 12.0273 k = 0.3416 0.7014 0.3024 ( 3313 PWs) bands (ev): -47.4704 -47.4704 -22.5044 -22.5042 -19.5387 -19.5342 -19.3734 -19.3707 -19.3423 -19.3355 -17.8402 -17.8402 -7.7680 -7.7674 -4.7151 -4.7118 -4.4219 -4.4214 -4.1331 -4.1288 -0.0939 -0.0912 1.2159 1.2185 2.0959 2.0969 5.1137 5.1152 11.0577 11.0611 11.4027 11.4045 11.9939 11.9948 k = 0.3519 0.7074 0.2964 ( 3309 PWs) bands (ev): -47.4704 -47.4704 -22.5044 -22.5041 -19.5390 -19.5347 -19.3739 -19.3711 -19.3423 -19.3355 -17.8403 -17.8403 -7.7727 -7.7720 -4.7054 -4.7021 -4.4206 -4.4201 -4.1361 -4.1318 -0.0836 -0.0809 1.2196 1.2222 2.0953 2.0963 5.1284 5.1299 11.0492 11.0525 11.3799 11.3817 11.9752 11.9759 k = 0.3519 0.7074 0.2964 ( 3309 PWs) bands (ev): -47.4704 -47.4704 -22.5044 -22.5041 -19.5390 -19.5347 -19.3739 -19.3711 -19.3423 -19.3355 -17.8403 -17.8403 -7.7727 -7.7720 -4.7054 -4.7021 -4.4206 -4.4201 -4.1361 -4.1318 -0.0836 -0.0809 1.2196 1.2222 2.0953 2.0963 5.1284 5.1299 11.0492 11.0525 11.3799 11.3817 11.9752 11.9759 k = 0.3574 0.7027 0.2854 ( 3305 PWs) bands (ev): -47.4704 -47.4704 -22.5044 -22.5042 -19.5397 -19.5355 -19.3748 -19.3720 -19.3421 -19.3355 -17.8405 -17.8405 -7.7810 -7.7804 -4.6872 -4.6840 -4.4185 -4.4180 -4.1414 -4.1373 -0.0649 -0.0622 1.2260 1.2286 2.0942 2.0952 5.1556 5.1570 11.0311 11.0342 11.3247 11.3264 11.9545 11.9550 k = 0.3629 0.6979 0.2744 ( 3313 PWs) bands (ev): -47.4705 -47.4705 -22.5045 -22.5043 -19.5404 -19.5364 -19.3757 -19.3728 -19.3420 -19.3355 -17.8406 -17.8406 -7.7893 -7.7887 -4.6686 -4.6655 -4.4165 -4.4160 -4.1468 -4.1427 -0.0460 -0.0434 1.2322 1.2348 2.0929 2.0939 5.1830 5.1844 11.0100 11.0128 11.2687 11.2702 11.9342 11.9346 k = 0.3684 0.6932 0.2634 ( 3313 PWs) bands (ev): -47.4705 -47.4705 -22.5046 -22.5044 -19.5411 -19.5373 -19.3765 -19.3736 -19.3419 -19.3354 -17.8406 -17.8406 -7.7975 -7.7969 -4.6498 -4.6467 -4.4146 -4.4141 -4.1522 -4.1482 -0.0269 -0.0243 1.2382 1.2407 2.0915 2.0926 5.2106 5.2120 10.9862 10.9888 11.2118 11.2131 11.9146 11.9149 k = 0.3739 0.6885 0.2525 ( 3308 PWs) bands (ev): -47.4706 -47.4706 -22.5048 -22.5045 -19.5418 -19.5381 -19.3774 -19.3744 -19.3416 -19.3353 -17.8407 -17.8407 -7.8056 -7.8050 -4.6306 -4.6275 -4.4128 -4.4123 -4.1575 -4.1536 -0.0078 -0.0052 1.2439 1.2464 2.0901 2.0911 5.2383 5.2396 10.9602 10.9625 11.1545 11.1555 11.8957 11.8959 k = 0.3793 0.6837 0.2415 ( 3312 PWs) bands (ev): -47.4706 -47.4706 -22.5050 -22.5047 -19.5425 -19.5390 -19.3782 -19.3753 -19.3414 -19.3353 -17.8407 -17.8407 -7.8135 -7.8129 -4.6113 -4.6083 -4.4111 -4.4107 -4.1627 -4.1589 0.0113 0.0139 1.2494 1.2519 2.0885 2.0895 5.2659 5.2671 10.9321 10.9339 11.0971 11.0978 11.8776 11.8777 k = 0.3848 0.6790 0.2305 ( 3308 PWs) bands (ev): -47.4706 -47.4706 -22.5052 -22.5049 -19.5432 -19.5399 -19.3790 -19.3761 -19.3411 -19.3352 -17.8407 -17.8407 -7.8213 -7.8206 -4.5920 -4.5890 -4.4095 -4.4091 -4.1679 -4.1642 0.0304 0.0329 1.2547 1.2571 2.0868 2.0878 5.2933 5.2946 10.9017 10.9031 11.0404 11.0407 11.8340 11.8367 k = 0.3903 0.6743 0.2195 ( 3304 PWs) bands (ev): -47.4707 -47.4707 -22.5054 -22.5052 -19.5439 -19.5408 -19.3797 -19.3768 -19.3408 -19.3351 -17.8406 -17.8406 -7.8288 -7.8282 -4.5727 -4.5698 -4.4080 -4.4076 -4.1730 -4.1694 0.0493 0.0517 1.2597 1.2621 2.0851 2.0860 5.3206 5.3217 10.8686 10.8694 10.9854 10.9856 11.7749 11.7776 k = 0.3958 0.6695 0.2086 ( 3296 PWs) bands (ev): -47.4707 -47.4707 -22.5057 -22.5054 -19.5446 -19.5417 -19.3804 -19.3776 -19.3404 -19.3349 -17.8406 -17.8406 -7.8361 -7.8355 -4.5536 -4.5507 -4.4066 -4.4062 -4.1780 -4.1745 0.0680 0.0703 1.2645 1.2668 2.0833 2.0843 5.3475 5.3486 10.8319 10.8320 10.9335 10.9344 11.7179 11.7204 k = 0.4013 0.6648 0.1976 ( 3296 PWs) bands (ev): -47.4708 -47.4708 -22.5059 -22.5057 -19.5453 -19.5426 -19.3811 -19.3783 -19.3400 -19.3348 -17.8405 -17.8405 -7.8432 -7.8427 -4.5347 -4.5319 -4.4053 -4.4049 -4.1829 -4.1795 0.0863 0.0886 1.2690 1.2713 2.0815 2.0824 5.3739 5.3749 10.7896 10.7902 10.8869 10.8884 11.6630 11.6654 k = 0.4068 0.6601 0.1866 ( 3296 PWs) bands (ev): -47.4708 -47.4708 -22.5062 -22.5060 -19.5461 -19.5435 -19.3817 -19.3791 -19.3397 -19.3347 -17.8404 -17.8404 -7.8501 -7.8495 -4.5161 -4.5134 -4.4041 -4.4037 -4.1876 -4.1843 0.1041 0.1064 1.2732 1.2755 2.0797 2.0806 5.3997 5.4007 10.7423 10.7433 10.8466 10.8485 11.6104 11.6126 k = 0.4122 0.6553 0.1756 ( 3296 PWs) bands (ev): -47.4708 -47.4708 -22.5065 -22.5063 -19.5468 -19.5444 -19.3824 -19.3798 -19.3393 -19.3345 -17.8403 -17.8403 -7.8566 -7.8561 -4.4980 -4.4953 -4.4030 -4.4026 -4.1922 -4.1889 0.1216 0.1237 1.2773 1.2794 2.0779 2.0787 5.4248 5.4257 10.6916 10.6928 10.8117 10.8136 11.5602 11.5623 k = 0.4177 0.6506 0.1647 ( 3292 PWs) bands (ev): -47.4709 -47.4709 -22.5068 -22.5066 -19.5474 -19.5452 -19.3829 -19.3804 -19.3389 -19.3344 -17.8402 -17.8402 -7.8629 -7.8624 -4.4804 -4.4777 -4.4020 -4.4016 -4.1966 -4.1934 0.1384 0.1405 1.2810 1.2831 2.0761 2.0769 5.4491 5.4500 10.6395 10.6406 10.7806 10.7825 11.5124 11.5144 k = 0.4232 0.6459 0.1537 ( 3292 PWs) bands (ev): -47.4709 -47.4709 -22.5071 -22.5069 -19.5481 -19.5460 -19.3834 -19.3811 -19.3385 -19.3343 -17.8401 -17.8401 -7.8688 -7.8683 -4.4634 -4.4608 -4.4010 -4.4006 -4.2008 -4.1977 0.1546 0.1566 1.2846 1.2865 2.0743 2.0751 5.4725 5.4733 10.5874 10.5884 10.7524 10.7542 11.4673 11.4691 k = 0.4287 0.6412 0.1427 ( 3296 PWs) bands (ev): -47.4709 -47.4709 -22.5073 -22.5072 -19.5488 -19.5469 -19.3839 -19.3817 -19.3381 -19.3342 -17.8400 -17.8400 -7.8744 -7.8740 -4.4471 -4.4445 -4.4002 -4.3998 -4.2048 -4.2018 0.1701 0.1720 1.2878 1.2897 2.0726 2.0733 5.4948 5.4956 10.5365 10.5374 10.7264 10.7280 11.4248 11.4265 k = 0.4342 0.6364 0.1317 ( 3294 PWs) bands (ev): -47.4710 -47.4710 -22.5076 -22.5075 -19.5494 -19.5476 -19.3844 -19.3823 -19.3378 -19.3341 -17.8399 -17.8399 -7.8797 -7.8793 -4.4317 -4.4291 -4.3993 -4.3989 -4.2086 -4.2056 0.1847 0.1865 1.2908 1.2926 2.0709 2.0716 5.5160 5.5167 10.4874 10.4883 10.7023 10.7037 11.3850 11.3866 k = 0.4397 0.6317 0.1207 ( 3294 PWs) bands (ev): -47.4710 -47.4710 -22.5079 -22.5078 -19.5499 -19.5484 -19.3848 -19.3828 -19.3374 -19.3340 -17.8398 -17.8398 -7.8846 -7.8842 -4.4172 -4.4146 -4.3985 -4.3981 -4.2121 -4.2092 0.1985 0.2002 1.2936 1.2952 2.0693 2.0700 5.5359 5.5366 10.4409 10.4416 10.6800 10.6813 11.3481 11.3496 k = 0.4452 0.6270 0.1098 ( 3294 PWs) bands (ev): -47.4710 -47.4710 -22.5081 -22.5080 -19.5505 -19.5490 -19.3851 -19.3833 -19.3370 -19.3339 -17.8397 -17.8397 -7.8891 -7.8887 -4.4043 -4.4018 -4.3970 -4.3967 -4.2153 -4.2126 0.2114 0.2130 1.2961 1.2976 2.0678 2.0684 5.5545 5.5551 10.3972 10.3978 10.6595 10.6607 11.3142 11.3155 k = 0.4506 0.6222 0.0988 ( 3298 PWs) bands (ev): -47.4711 -47.4711 -22.5084 -22.5083 -19.5510 -19.5497 -19.3855 -19.3838 -19.3367 -19.3339 -17.8396 -17.8396 -7.8932 -7.8929 -4.3982 -4.3979 -4.3895 -4.3878 -4.2183 -4.2158 0.2232 0.2247 1.2984 1.2998 2.0664 2.0670 5.5717 5.5722 10.3568 10.3573 10.6408 10.6418 11.2832 11.2844 k = 0.4561 0.6175 0.0878 ( 3302 PWs) bands (ev): -47.4711 -47.4711 -22.5086 -22.5085 -19.5514 -19.5503 -19.3858 -19.3843 -19.3364 -19.3339 -17.8395 -17.8395 -7.8969 -7.8967 -4.3972 -4.3972 -4.3785 -4.3766 -4.2211 -4.2187 0.2340 0.2353 1.3004 1.3017 2.0652 2.0657 5.5873 5.5878 10.3199 10.3203 10.6239 10.6248 11.2553 11.2564 k = 0.4616 0.6128 0.0768 ( 3302 PWs) bands (ev): -47.4711 -47.4711 -22.5088 -22.5087 -19.5518 -19.5509 -19.3860 -19.3847 -19.3360 -19.3339 -17.8394 -17.8394 -7.9003 -7.9000 -4.3966 -4.3966 -4.3682 -4.3664 -4.2235 -4.2213 0.2437 0.2449 1.3022 1.3034 2.0640 2.0645 5.6013 5.6018 10.2867 10.2871 10.6089 10.6096 11.2306 11.2315 k = 0.4671 0.6080 0.0659 ( 3298 PWs) bands (ev): -47.4711 -47.4711 -22.5090 -22.5089 -19.5522 -19.5513 -19.3862 -19.3850 -19.3357 -19.3338 -17.8393 -17.8393 -7.9031 -7.9029 -4.3962 -4.3961 -4.3591 -4.3574 -4.2256 -4.2236 0.2522 0.2532 1.3038 1.3048 2.0630 2.0634 5.6137 5.6140 10.2576 10.2580 10.5958 10.5964 11.2090 11.2098 k = 0.4726 0.6033 0.0549 ( 3294 PWs) bands (ev): -47.4712 -47.4712 -22.5091 -22.5091 -19.5524 -19.5517 -19.3863 -19.3853 -19.3354 -19.3338 -17.8393 -17.8393 -7.9056 -7.9054 -4.3958 -4.3958 -4.3512 -4.3497 -4.2274 -4.2256 0.2595 0.2604 1.3052 1.3060 2.0622 2.0625 5.6242 5.6245 10.2327 10.2330 10.5846 10.5851 11.1907 11.1913 k = 0.4781 0.5986 0.0439 ( 3294 PWs) bands (ev): -47.4712 -47.4712 -22.5093 -22.5092 -19.5527 -19.5521 -19.3864 -19.3856 -19.3351 -19.3339 -17.8392 -17.8392 -7.9076 -7.9074 -4.3956 -4.3955 -4.3446 -4.3433 -4.2288 -4.2273 0.2656 0.2662 1.3063 1.3069 2.0615 2.0617 5.6329 5.6332 10.2121 10.2123 10.5754 10.5758 11.1756 11.1761 k = 0.4835 0.5938 0.0329 ( 3292 PWs) bands (ev): -47.4712 -47.4712 -22.5093 -22.5093 -19.5528 -19.5524 -19.3864 -19.3858 -19.3348 -19.3339 -17.8392 -17.8392 -7.9092 -7.9090 -4.3953 -4.3953 -4.3394 -4.3384 -4.2299 -4.2288 0.2703 0.2708 1.3072 1.3077 2.0609 2.0611 5.6398 5.6400 10.1960 10.1961 10.5683 10.5686 11.1639 11.1643 k = 0.4890 0.5891 0.0220 ( 3296 PWs) bands (ev): -47.4712 -47.4712 -22.5094 -22.5094 -19.5529 -19.5526 -19.3864 -19.3861 -19.3346 -19.3340 -17.8391 -17.8391 -7.9103 -7.9102 -4.3952 -4.3951 -4.3356 -4.3349 -4.2307 -4.2299 0.2737 0.2741 1.3078 1.3081 2.0605 2.0607 5.6447 5.6449 10.1844 10.1845 10.5631 10.5633 11.1555 11.1558 k = 0.4945 0.5844 0.0110 ( 3296 PWs) bands (ev): -47.4712 -47.4712 -22.5095 -22.5094 -19.5530 -19.5528 -19.3864 -19.3862 -19.3345 -19.3341 -17.8391 -17.8391 -7.9109 -7.9109 -4.3951 -4.3951 -4.3332 -4.3329 -4.2310 -4.2306 0.2758 0.2760 1.3082 1.3084 2.0603 2.0604 5.6477 5.6478 10.1774 10.1775 10.5601 10.5602 11.1505 11.1506 k = 0.5000 0.5796-0.0000 ( 3292 PWs) bands (ev): -47.4712 -47.4712 -22.5095 -22.5095 -19.5529 -19.5529 -19.3863 -19.3863 -19.3343 -19.3343 -17.8391 -17.8391 -7.9111 -7.9111 -4.3950 -4.3950 -4.3323 -4.3323 -4.2310 -4.2310 0.2766 0.2766 1.3084 1.3084 2.0603 2.0603 5.6488 5.6488 10.1751 10.1751 10.5591 10.5591 11.1489 11.1489 k = 0.5000 0.5796-0.0000 ( 3292 PWs) bands (ev): -47.4712 -47.4712 -22.5095 -22.5095 -19.5529 -19.5529 -19.3863 -19.3863 -19.3343 -19.3343 -17.8391 -17.8391 -7.9111 -7.9111 -4.3950 -4.3950 -4.3323 -4.3323 -4.2310 -4.2310 0.2766 0.2766 1.3084 1.3084 2.0603 2.0603 5.6488 5.6488 10.1751 10.1751 10.5591 10.5591 11.1489 11.1489 k = 0.4912 0.5695-0.0000 ( 3292 PWs) bands (ev): -47.4712 -47.4712 -22.5095 -22.5095 -19.5529 -19.5529 -19.3863 -19.3863 -19.3342 -19.3342 -17.8391 -17.8391 -7.9110 -7.9110 -4.3952 -4.3952 -4.3321 -4.3321 -4.2310 -4.2310 0.2764 0.2764 1.3080 1.3080 2.0602 2.0602 5.6484 5.6484 10.1691 10.1691 10.5607 10.5607 11.1507 11.1507 k = 0.4825 0.5593-0.0000 ( 3294 PWs) bands (ev): -47.4712 -47.4712 -22.5098 -22.5098 -19.5528 -19.5528 -19.3862 -19.3862 -19.3342 -19.3342 -17.8389 -17.8389 -7.9106 -7.9106 -4.3959 -4.3959 -4.3316 -4.3316 -4.2310 -4.2310 0.2757 0.2757 1.3068 1.3068 2.0600 2.0600 5.6474 5.6474 10.1514 10.1514 10.5655 10.5655 11.1563 11.1563 k = 0.4737 0.5491-0.0000 ( 3290 PWs) bands (ev): -47.4712 -47.4712 -22.5101 -22.5101 -19.5526 -19.5526 -19.3860 -19.3860 -19.3340 -19.3340 -17.8387 -17.8387 -7.9099 -7.9099 -4.3969 -4.3969 -4.3307 -4.3307 -4.2309 -4.2309 0.2746 0.2746 1.3047 1.3047 2.0596 2.0596 5.6457 5.6457 10.1233 10.1233 10.5729 10.5729 11.1656 11.1656 k = 0.4649 0.5390-0.0000 ( 3294 PWs) bands (ev): -47.4712 -47.4712 -22.5106 -22.5106 -19.5524 -19.5524 -19.3858 -19.3858 -19.3339 -19.3339 -17.8385 -17.8385 -7.9089 -7.9089 -4.3983 -4.3983 -4.3295 -4.3295 -4.2308 -4.2308 0.2731 0.2731 1.3018 1.3018 2.0590 2.0590 5.6433 5.6433 10.0864 10.0864 10.5825 10.5825 11.1785 11.1785 k = 0.4561 0.5288-0.0000 ( 3298 PWs) bands (ev): -47.4712 -47.4712 -22.5113 -22.5113 -19.5521 -19.5521 -19.3855 -19.3855 -19.3337 -19.3337 -17.8381 -17.8381 -7.9077 -7.9077 -4.4001 -4.4001 -4.3280 -4.3280 -4.2307 -4.2307 0.2711 0.2711 1.2982 1.2982 2.0583 2.0583 5.6402 5.6402 10.0424 10.0424 10.5938 10.5938 11.1951 11.1951 k = 0.4474 0.5186-0.0000 ( 3300 PWs) bands (ev): -47.4712 -47.4712 -22.5120 -22.5120 -19.5517 -19.5517 -19.3852 -19.3852 -19.3334 -19.3334 -17.8376 -17.8376 -7.9061 -7.9061 -4.4024 -4.4024 -4.3262 -4.3262 -4.2307 -4.2307 0.2687 0.2687 1.2937 1.2937 2.0575 2.0575 5.6365 5.6365 9.9926 9.9926 10.6067 10.6067 11.2154 11.2154 k = 0.4386 0.5085-0.0000 ( 3296 PWs) bands (ev): -47.4712 -47.4712 -22.5129 -22.5129 -19.5512 -19.5512 -19.3847 -19.3847 -19.3331 -19.3331 -17.8371 -17.8371 -7.9043 -7.9043 -4.4050 -4.4050 -4.3239 -4.3239 -4.2305 -4.2305 0.2659 0.2659 1.2884 1.2884 2.0564 2.0564 5.6321 5.6321 9.9384 9.9384 10.6210 10.6210 11.2393 11.2393 k = 0.4298 0.4983-0.0000 ( 3300 PWs) bands (ev): -47.4712 -47.4712 -22.5140 -22.5140 -19.5508 -19.5508 -19.3843 -19.3843 -19.3327 -19.3327 -17.8365 -17.8365 -7.9022 -7.9022 -4.4080 -4.4080 -4.3214 -4.3214 -4.2305 -4.2305 0.2627 0.2627 1.2824 1.2824 2.0551 2.0551 5.6272 5.6272 9.8810 9.8810 10.6367 10.6367 11.2668 11.2668 k = 0.4211 0.4881-0.0000 ( 3308 PWs) bands (ev): -47.4712 -47.4712 -22.5151 -22.5151 -19.5503 -19.5503 -19.3838 -19.3838 -19.3324 -19.3324 -17.8359 -17.8359 -7.8997 -7.8997 -4.4114 -4.4114 -4.3186 -4.3186 -4.2304 -4.2304 0.2590 0.2590 1.2757 1.2757 2.0536 2.0536 5.6216 5.6216 9.8211 9.8211 10.6540 10.6540 11.2979 11.2979 k = 0.4123 0.4780-0.0000 ( 3300 PWs) bands (ev): -47.4712 -47.4712 -22.5164 -22.5164 -19.5496 -19.5496 -19.3832 -19.3832 -19.3319 -19.3319 -17.8351 -17.8351 -7.8969 -7.8969 -4.4151 -4.4151 -4.3154 -4.3154 -4.2302 -4.2302 0.2550 0.2550 1.2683 1.2683 2.0518 2.0518 5.6154 5.6154 9.7596 9.7596 10.6728 10.6728 11.3326 11.3326 k = 0.4035 0.4678-0.0000 ( 3300 PWs) bands (ev): -47.4712 -47.4712 -22.5178 -22.5178 -19.5490 -19.5490 -19.3826 -19.3826 -19.3314 -19.3314 -17.8343 -17.8343 -7.8938 -7.8938 -4.4192 -4.4192 -4.3120 -4.3120 -4.2301 -4.2301 0.2507 0.2507 1.2602 1.2602 2.0498 2.0498 5.6086 5.6086 9.6970 9.6970 10.6933 10.6933 11.3708 11.3708 k = 0.3947 0.4576-0.0000 ( 3302 PWs) bands (ev): -47.4712 -47.4712 -22.5193 -22.5193 -19.5483 -19.5483 -19.3820 -19.3820 -19.3310 -19.3310 -17.8334 -17.8334 -7.8904 -7.8904 -4.4236 -4.4236 -4.3082 -4.3082 -4.2300 -4.2300 0.2460 0.2460 1.2514 1.2514 2.0474 2.0474 5.6013 5.6013 9.6337 9.6337 10.7155 10.7155 11.4124 11.4124 k = 0.3860 0.4474-0.0000 ( 3306 PWs) bands (ev): -47.4713 -47.4713 -22.5208 -22.5208 -19.5475 -19.5475 -19.3813 -19.3813 -19.3305 -19.3305 -17.8324 -17.8324 -7.8867 -7.8867 -4.4284 -4.4284 -4.3042 -4.3042 -4.2300 -4.2300 0.2409 0.2409 1.2420 1.2420 2.0448 2.0448 5.5934 5.5934 9.5703 9.5703 10.7394 10.7394 11.4575 11.4575 k = 0.3772 0.4373-0.0000 ( 3306 PWs) bands (ev): -47.4713 -47.4713 -22.5225 -22.5225 -19.5468 -19.5468 -19.3806 -19.3806 -19.3300 -19.3300 -17.8314 -17.8314 -7.8826 -7.8826 -4.4335 -4.4335 -4.3000 -4.3000 -4.2299 -4.2299 0.2355 0.2355 1.2321 1.2321 2.0418 2.0418 5.5850 5.5850 9.5071 9.5071 10.7652 10.7652 11.5059 11.5059 k = 0.3684 0.4271-0.0000 ( 3306 PWs) bands (ev): -47.4713 -47.4713 -22.5242 -22.5242 -19.5459 -19.5459 -19.3799 -19.3799 -19.3294 -19.3294 -17.8302 -17.8302 -7.8781 -7.8781 -4.4388 -4.4388 -4.2954 -4.2954 -4.2299 -4.2299 0.2298 0.2298 1.2215 1.2215 2.0384 2.0384 5.5762 5.5762 9.4442 9.4442 10.7928 10.7928 11.5577 11.5577 k = 0.3596 0.4169-0.0000 ( 3306 PWs) bands (ev): -47.4713 -47.4713 -22.5260 -22.5260 -19.5451 -19.5451 -19.3791 -19.3791 -19.3289 -19.3289 -17.8291 -17.8291 -7.8733 -7.8733 -4.4445 -4.4445 -4.2906 -4.2906 -4.2299 -4.2299 0.2238 0.2238 1.2105 1.2105 2.0347 2.0347 5.5669 5.5669 9.3821 9.3821 10.8224 10.8224 11.6128 11.6128 k = 0.3509 0.4068-0.0000 ( 3302 PWs) bands (ev): -47.4713 -47.4713 -22.5278 -22.5278 -19.5442 -19.5442 -19.3783 -19.3783 -19.3283 -19.3283 -17.8278 -17.8278 -7.8682 -7.8682 -4.4504 -4.4504 -4.2856 -4.2856 -4.2300 -4.2300 0.2175 0.2175 1.1990 1.1990 2.0306 2.0306 5.5571 5.5571 9.3208 9.3208 10.8539 10.8539 11.6710 11.6710 k = 0.3421 0.3966-0.0000 ( 3302 PWs) bands (ev): -47.4713 -47.4713 -22.5298 -22.5298 -19.5433 -19.5433 -19.3775 -19.3775 -19.3278 -19.3278 -17.8265 -17.8265 -7.8627 -7.8627 -4.4566 -4.4566 -4.2804 -4.2804 -4.2300 -4.2300 0.2110 0.2110 1.1871 1.1871 2.0260 2.0260 5.5470 5.5470 9.2605 9.2605 10.8875 10.8875 11.7325 11.7325 k = 0.3333 0.3864-0.0000 ( 3304 PWs) bands (ev): -47.4713 -47.4713 -22.5317 -22.5317 -19.5424 -19.5424 -19.3767 -19.3767 -19.3273 -19.3273 -17.8251 -17.8251 -7.8568 -7.8568 -4.4630 -4.4630 -4.2750 -4.2750 -4.2302 -4.2302 0.2043 0.2043 1.1748 1.1748 2.0210 2.0210 5.5365 5.5365 9.2014 9.2014 10.9230 10.9230 11.7970 11.7970 k = 0.3246 0.3763-0.0000 ( 3300 PWs) bands (ev): -47.4713 -47.4713 -22.5337 -22.5337 -19.5415 -19.5415 -19.3759 -19.3759 -19.3268 -19.3268 -17.8237 -17.8237 -7.8506 -7.8506 -4.4697 -4.4697 -4.2694 -4.2694 -4.2303 -4.2303 0.1974 0.1974 1.1621 1.1621 2.0156 2.0156 5.5257 5.5257 9.1436 9.1436 10.9605 10.9605 11.8646 11.8646 k = 0.3158 0.3661-0.0000 ( 3306 PWs) bands (ev): -47.4713 -47.4713 -22.5357 -22.5357 -19.5406 -19.5406 -19.3751 -19.3751 -19.3263 -19.3263 -17.8223 -17.8223 -7.8440 -7.8440 -4.4765 -4.4765 -4.2637 -4.2637 -4.2304 -4.2304 0.1902 0.1902 1.1491 1.1491 2.0096 2.0096 5.5146 5.5146 9.0872 9.0872 11.0000 11.0000 11.9351 11.9351 k = 0.3070 0.3559-0.0000 ( 3310 PWs) bands (ev): -47.4714 -47.4714 -22.5377 -22.5377 -19.5397 -19.5397 -19.3743 -19.3743 -19.3259 -19.3259 -17.8207 -17.8207 -7.8371 -7.8371 -4.4835 -4.4835 -4.2579 -4.2579 -4.2306 -4.2306 0.1830 0.1830 1.1359 1.1359 2.0032 2.0032 5.5032 5.5032 9.0323 9.0323 11.0415 11.0415 12.0084 12.0084 k = 0.2982 0.3458-0.0000 ( 3312 PWs) bands (ev): -47.4714 -47.4714 -22.5397 -22.5397 -19.5388 -19.5388 -19.3735 -19.3735 -19.3255 -19.3255 -17.8192 -17.8192 -7.8298 -7.8298 -4.4906 -4.4906 -4.2521 -4.2521 -4.2307 -4.2307 0.1755 0.1755 1.1224 1.1224 1.9963 1.9963 5.4916 5.4916 8.9790 8.9790 11.0851 11.0851 12.0846 12.0846 k = 0.2895 0.3356-0.0000 ( 3320 PWs) bands (ev): -47.4714 -47.4714 -22.5418 -22.5418 -19.5379 -19.5379 -19.3727 -19.3727 -19.3251 -19.3251 -17.8176 -17.8176 -7.8223 -7.8223 -4.4979 -4.4979 -4.2465 -4.2465 -4.2305 -4.2305 0.1680 0.1680 1.1087 1.1087 1.9889 1.9889 5.4797 5.4797 8.9274 8.9274 11.1306 11.1306 12.1635 12.1635 k = 0.2807 0.3254-0.0000 ( 3324 PWs) bands (ev): -47.4714 -47.4714 -22.5438 -22.5438 -19.5371 -19.5371 -19.3719 -19.3719 -19.3247 -19.3247 -17.8159 -17.8159 -7.8144 -7.8144 -4.5053 -4.5053 -4.2415 -4.2415 -4.2296 -4.2296 0.1604 0.1604 1.0950 1.0950 1.9809 1.9809 5.4677 5.4677 8.8774 8.8774 11.1781 11.1781 12.2451 12.2451 k = 0.2719 0.3152-0.0000 ( 3320 PWs) bands (ev): -47.4714 -47.4714 -22.5458 -22.5458 -19.5362 -19.5362 -19.3711 -19.3711 -19.3244 -19.3244 -17.8142 -17.8142 -7.8061 -7.8061 -4.5128 -4.5128 -4.2382 -4.2382 -4.2270 -4.2270 0.1527 0.1527 1.0811 1.0811 1.9726 1.9726 5.4557 5.4557 8.8293 8.8293 11.2275 11.2275 12.3291 12.3291 k = 0.2632 0.3051-0.0000 ( 3324 PWs) bands (ev): -47.4714 -47.4714 -22.5478 -22.5478 -19.5354 -19.5354 -19.3703 -19.3703 -19.3242 -19.3242 -17.8125 -17.8125 -7.7977 -7.7977 -4.5204 -4.5204 -4.2369 -4.2369 -4.2224 -4.2224 0.1449 0.1449 1.0672 1.0672 1.9637 1.9637 5.4435 5.4435 8.7829 8.7829 11.2788 11.2788 12.4157 12.4157 k = 0.2544 0.2949-0.0000 ( 3324 PWs) bands (ev): -47.4715 -47.4715 -22.5497 -22.5497 -19.5345 -19.5345 -19.3695 -19.3695 -19.3239 -19.3239 -17.8108 -17.8108 -7.7889 -7.7889 -4.5279 -4.5279 -4.2367 -4.2367 -4.2167 -4.2167 0.1372 0.1372 1.0533 1.0533 1.9544 1.9544 5.4312 5.4312 8.7384 8.7384 11.3319 11.3319 12.5045 12.5045 k = 0.2456 0.2847-0.0000 ( 3320 PWs) bands (ev): -47.4715 -47.4715 -22.5516 -22.5516 -19.5337 -19.5337 -19.3687 -19.3687 -19.3237 -19.3237 -17.8090 -17.8090 -7.7799 -7.7799 -4.5356 -4.5356 -4.2370 -4.2370 -4.2105 -4.2105 0.1294 0.1294 1.0394 1.0394 1.9447 1.9447 5.4190 5.4190 8.6957 8.6957 11.3868 11.3868 12.5956 12.5956 k = 0.2368 0.2746-0.0000 ( 3318 PWs) bands (ev): -47.4715 -47.4715 -22.5535 -22.5535 -19.5329 -19.5329 -19.3680 -19.3680 -19.3236 -19.3236 -17.8073 -17.8073 -7.7707 -7.7707 -4.5432 -4.5432 -4.2376 -4.2376 -4.2041 -4.2041 0.1217 0.1217 1.0256 1.0256 1.9346 1.9346 5.4068 5.4068 8.6549 8.6549 11.4434 11.4434 12.6887 12.6887 k = 0.2281 0.2644-0.0000 ( 3320 PWs) bands (ev): -47.4715 -47.4715 -22.5553 -22.5553 -19.5322 -19.5322 -19.3672 -19.3672 -19.3235 -19.3235 -17.8055 -17.8055 -7.7613 -7.7613 -4.5507 -4.5507 -4.2382 -4.2382 -4.1976 -4.1976 0.1140 0.1140 1.0119 1.0119 1.9241 1.9241 5.3946 5.3946 8.6159 8.6159 11.5016 11.5016 12.7839 12.7839 k = 0.2193 0.2542-0.0000 ( 3320 PWs) bands (ev): -47.4715 -47.4715 -22.5571 -22.5571 -19.5314 -19.5314 -19.3665 -19.3665 -19.3235 -19.3235 -17.8037 -17.8037 -7.7518 -7.7518 -4.5583 -4.5583 -4.2390 -4.2390 -4.1911 -4.1911 0.1064 0.1064 0.9984 0.9984 1.9132 1.9132 5.3826 5.3826 8.5789 8.5789 11.5614 11.5614 12.8809 12.8809 k = 0.2105 0.2441-0.0000 ( 3324 PWs) bands (ev): -47.4715 -47.4715 -22.5588 -22.5588 -19.5308 -19.5308 -19.3658 -19.3658 -19.3235 -19.3235 -17.8019 -17.8019 -7.7421 -7.7421 -4.5657 -4.5657 -4.2398 -4.2398 -4.1847 -4.1847 0.0989 0.0989 0.9851 0.9851 1.9021 1.9021 5.3706 5.3706 8.5437 8.5437 11.6226 11.6226 12.9796 12.9796 k = 0.2018 0.2339-0.0000 ( 3328 PWs) bands (ev): -47.4715 -47.4715 -22.5605 -22.5605 -19.5302 -19.5302 -19.3651 -19.3651 -19.3236 -19.3236 -17.8002 -17.8002 -7.7324 -7.7324 -4.5731 -4.5731 -4.2407 -4.2407 -4.1783 -4.1783 0.0914 0.0914 0.9720 0.9720 1.8907 1.8907 5.3589 5.3589 8.5104 8.5104 11.6851 11.6851 13.0799 13.0799 k = 0.1930 0.2237-0.0000 ( 3332 PWs) bands (ev): -47.4716 -47.4716 -22.5620 -22.5620 -19.5296 -19.5296 -19.3645 -19.3645 -19.3237 -19.3237 -17.7984 -17.7984 -7.7226 -7.7226 -4.5804 -4.5804 -4.2417 -4.2417 -4.1719 -4.1719 0.0842 0.0842 0.9592 0.9592 1.8791 1.8791 5.3473 5.3473 8.4790 8.4790 11.7488 11.7488 13.1815 13.1815 k = 0.1842 0.2136-0.0000 ( 3330 PWs) bands (ev): -47.4716 -47.4716 -22.5636 -22.5636 -19.5290 -19.5290 -19.3639 -19.3639 -19.3239 -19.3239 -17.7967 -17.7967 -7.7128 -7.7128 -4.5875 -4.5875 -4.2426 -4.2426 -4.1657 -4.1657 0.0771 0.0771 0.9467 0.9467 1.8673 1.8673 5.3360 5.3360 8.4494 8.4494 11.8136 11.8136 13.2842 13.2842 k = 0.1754 0.2034-0.0000 ( 3338 PWs) bands (ev): -47.4716 -47.4716 -22.5650 -22.5650 -19.5285 -19.5285 -19.3633 -19.3633 -19.3241 -19.3241 -17.7950 -17.7950 -7.7031 -7.7031 -4.5944 -4.5944 -4.2436 -4.2436 -4.1596 -4.1596 0.0701 0.0701 0.9345 0.9345 1.8555 1.8555 5.3249 5.3249 8.4216 8.4216 11.8793 11.8793 13.3880 13.3880 k = 0.1667 0.1932-0.0000 ( 3338 PWs) bands (ev): -47.4716 -47.4716 -22.5664 -22.5664 -19.5280 -19.5280 -19.3627 -19.3627 -19.3243 -19.3243 -17.7933 -17.7933 -7.6934 -7.6934 -4.6012 -4.6012 -4.2446 -4.2446 -4.1537 -4.1537 0.0634 0.0634 0.9227 0.9227 1.8436 1.8436 5.3142 5.3142 8.3955 8.3955 11.9457 11.9457 13.4924 13.4924 k = 0.1579 0.1830-0.0000 ( 3338 PWs) bands (ev): -47.4716 -47.4716 -22.5678 -22.5678 -19.5275 -19.5275 -19.3621 -19.3621 -19.3246 -19.3246 -17.7917 -17.7917 -7.6839 -7.6839 -4.6078 -4.6078 -4.2456 -4.2456 -4.1479 -4.1479 0.0569 0.0569 0.9113 0.9113 1.8318 1.8318 5.3038 5.3038 8.3712 8.3712 12.0127 12.0127 13.5973 13.5973 k = 0.1491 0.1729-0.0000 ( 3333 PWs) bands (ev): -47.4716 -47.4716 -22.5690 -22.5690 -19.5271 -19.5271 -19.3616 -19.3616 -19.3248 -19.3248 -17.7901 -17.7901 -7.6746 -7.6746 -4.6141 -4.6141 -4.2465 -4.2465 -4.1423 -4.1423 0.0507 0.0507 0.9004 0.9004 1.8201 1.8201 5.2938 5.2938 8.3486 8.3486 12.0801 12.0801 13.7023 13.7023 k = 0.1404 0.1627-0.0000 ( 3341 PWs) bands (ev): -47.4716 -47.4716 -22.5702 -22.5702 -19.5267 -19.5267 -19.3611 -19.3611 -19.3251 -19.3251 -17.7886 -17.7886 -7.6654 -7.6654 -4.6202 -4.6202 -4.2475 -4.2475 -4.1369 -4.1369 0.0447 0.0447 0.8899 0.8899 1.8086 1.8086 5.2841 5.2841 8.3277 8.3277 12.1477 12.1477 13.8070 13.8070 k = 0.1316 0.1525-0.0000 ( 3337 PWs) bands (ev): -47.4716 -47.4716 -22.5713 -22.5713 -19.5264 -19.5264 -19.3606 -19.3606 -19.3254 -19.3254 -17.7871 -17.7871 -7.6566 -7.6566 -4.6260 -4.6260 -4.2484 -4.2484 -4.1317 -4.1317 0.0390 0.0390 0.8799 0.8799 1.7973 1.7973 5.2749 5.2749 8.3083 8.3083 12.2151 12.2151 13.9109 13.9109 k = 0.1228 0.1424-0.0000 ( 3341 PWs) bands (ev): -47.4717 -47.4717 -22.5723 -22.5723 -19.5261 -19.5261 -19.3602 -19.3602 -19.3257 -19.3257 -17.7857 -17.7857 -7.6480 -7.6480 -4.6316 -4.6316 -4.2494 -4.2494 -4.1268 -4.1268 0.0335 0.0335 0.8705 0.8705 1.7863 1.7863 5.2662 5.2662 8.2905 8.2905 12.2821 12.2821 14.0136 14.0136 k = 0.1140 0.1322-0.0000 ( 3337 PWs) bands (ev): -47.4717 -47.4717 -22.5733 -22.5733 -19.5258 -19.5258 -19.3598 -19.3598 -19.3260 -19.3260 -17.7844 -17.7844 -7.6398 -7.6398 -4.6368 -4.6368 -4.2502 -4.2502 -4.1221 -4.1221 0.0284 0.0284 0.8616 0.8616 1.7758 1.7758 5.2579 5.2579 8.2743 8.2743 12.3484 12.3484 14.1143 14.1143 k = 0.1053 0.1220-0.0000 ( 3335 PWs) bands (ev): -47.4717 -47.4717 -22.5742 -22.5742 -19.5255 -19.5255 -19.3594 -19.3594 -19.3263 -19.3263 -17.7831 -17.7831 -7.6320 -7.6320 -4.6417 -4.6417 -4.2511 -4.2511 -4.1177 -4.1177 0.0236 0.0236 0.8532 0.8532 1.7656 1.7656 5.2502 5.2502 8.2594 8.2594 12.4137 12.4137 14.2122 14.2122 k = 0.0965 0.1119-0.0000 ( 3327 PWs) bands (ev): -47.4717 -47.4717 -22.5750 -22.5750 -19.5252 -19.5252 -19.3590 -19.3590 -19.3265 -19.3265 -17.7819 -17.7819 -7.6247 -7.6247 -4.6463 -4.6463 -4.2519 -4.2519 -4.1136 -4.1136 0.0191 0.0191 0.8455 0.8455 1.7560 1.7560 5.2429 5.2429 8.2460 8.2460 12.4774 12.4774 14.3060 14.3060 k = 0.0877 0.1017-0.0000 ( 3331 PWs) bands (ev): -47.4717 -47.4717 -22.5757 -22.5757 -19.5251 -19.5251 -19.3587 -19.3587 -19.3269 -19.3269 -17.7808 -17.7808 -7.6178 -7.6178 -4.6506 -4.6506 -4.2526 -4.2526 -4.1098 -4.1098 0.0150 0.0150 0.8384 0.8384 1.7470 1.7470 5.2362 5.2362 8.2340 8.2340 12.5392 12.5392 14.3288 14.3288 k = 0.0789 0.0915-0.0000 ( 3325 PWs) bands (ev): -47.4717 -47.4717 -22.5764 -22.5764 -19.5249 -19.5249 -19.3583 -19.3583 -19.3271 -19.3271 -17.7798 -17.7798 -7.6115 -7.6115 -4.6544 -4.6544 -4.2533 -4.2533 -4.1064 -4.1064 0.0113 0.0113 0.8319 0.8319 1.7386 1.7386 5.2302 5.2302 8.2232 8.2232 12.5985 12.5985 14.3175 14.3175 k = 0.0702 0.0814-0.0000 ( 3319 PWs) bands (ev): -47.4717 -47.4717 -22.5769 -22.5769 -19.5247 -19.5247 -19.3580 -19.3580 -19.3273 -19.3273 -17.7789 -17.7789 -7.6057 -7.6057 -4.6579 -4.6579 -4.2539 -4.2539 -4.1032 -4.1032 0.0079 0.0079 0.8260 0.8260 1.7310 1.7310 5.2246 5.2246 8.2137 8.2137 12.6547 12.6547 14.3046 14.3046 k = 0.0614 0.0712-0.0000 ( 3323 PWs) bands (ev): -47.4717 -47.4717 -22.5775 -22.5775 -19.5246 -19.5246 -19.3578 -19.3578 -19.3276 -19.3276 -17.7781 -17.7781 -7.6005 -7.6005 -4.6611 -4.6611 -4.2545 -4.2545 -4.1004 -4.1004 0.0048 0.0048 0.8208 0.8208 1.7241 1.7241 5.2197 5.2197 8.2055 8.2055 12.7071 12.7071 14.2906 14.2906 k = 0.0526 0.0610-0.0000 ( 3323 PWs) bands (ev): -47.4717 -47.4717 -22.5779 -22.5779 -19.5245 -19.5245 -19.3576 -19.3576 -19.3278 -19.3278 -17.7774 -17.7774 -7.5960 -7.5960 -4.6638 -4.6638 -4.2550 -4.2550 -4.0980 -4.0980 0.0022 0.0022 0.8162 0.8162 1.7180 1.7180 5.2155 5.2155 8.1984 8.1984 12.7550 12.7550 14.2762 14.2762 k = 0.0439 0.0508-0.0000 ( 3327 PWs) bands (ev): -47.4717 -47.4717 -22.5783 -22.5783 -19.5244 -19.5244 -19.3575 -19.3575 -19.3280 -19.3280 -17.7768 -17.7768 -7.5921 -7.5921 -4.6661 -4.6661 -4.2554 -4.2554 -4.0959 -4.0959 -0.0001 -0.0001 0.8123 0.8123 1.7128 1.7128 5.2118 5.2118 8.1925 8.1925 12.7976 12.7976 14.2621 14.2621 k = 0.0351 0.0407-0.0000 ( 3327 PWs) bands (ev): -47.4717 -47.4717 -22.5786 -22.5786 -19.5243 -19.5243 -19.3574 -19.3574 -19.3281 -19.3281 -17.7763 -17.7763 -7.5888 -7.5888 -4.6680 -4.6680 -4.2558 -4.2558 -4.0942 -4.0942 -0.0019 -0.0019 0.8092 0.8092 1.7084 1.7084 5.2088 5.2088 8.1877 8.1877 12.8341 12.8341 14.2491 14.2491 k = 0.0263 0.0305-0.0000 ( 3327 PWs) bands (ev): -47.4717 -47.4717 -22.5788 -22.5788 -19.5243 -19.5243 -19.3573 -19.3573 -19.3282 -19.3282 -17.7759 -17.7759 -7.5863 -7.5863 -4.6695 -4.6695 -4.2561 -4.2561 -4.0928 -4.0928 -0.0034 -0.0034 0.8067 0.8067 1.7050 1.7050 5.2065 5.2065 8.1840 8.1840 12.8635 12.8635 14.2379 14.2379 k = 0.0175 0.0203-0.0000 ( 3313 PWs) bands (ev): -47.4717 -47.4717 -22.5790 -22.5790 -19.5242 -19.5242 -19.3571 -19.3571 -19.3282 -19.3282 -17.7756 -17.7756 -7.5845 -7.5845 -4.6706 -4.6706 -4.2562 -4.2562 -4.0919 -4.0919 -0.0044 -0.0044 0.8050 0.8050 1.7026 1.7026 5.2048 5.2048 8.1814 8.1814 12.8852 12.8852 14.2294 14.2294 k = 0.0088 0.0102-0.0000 ( 3317 PWs) bands (ev): -47.4717 -47.4717 -22.5791 -22.5791 -19.5242 -19.5242 -19.3571 -19.3571 -19.3283 -19.3283 -17.7754 -17.7754 -7.5834 -7.5834 -4.6712 -4.6712 -4.2564 -4.2564 -4.0913 -4.0913 -0.0050 -0.0050 0.8039 0.8039 1.7011 1.7011 5.2038 5.2038 8.1798 8.1798 12.8985 12.8985 14.2240 14.2240 k = 0.0000 0.0000 0.0000 ( 3317 PWs) bands (ev): -47.4717 -47.4717 -22.5791 -22.5791 -19.5242 -19.5242 -19.3571 -19.3571 -19.3283 -19.3283 -17.7754 -17.7754 -7.5830 -7.5830 -4.6714 -4.6714 -4.2564 -4.2564 -4.0911 -4.0911 -0.0052 -0.0052 0.8035 0.8035 1.7006 1.7006 5.2034 5.2034 8.1793 8.1793 12.9030 12.9030 14.2221 14.2221 k = 0.0000 0.0000 0.0000 ( 3317 PWs) bands (ev): -47.4717 -47.4717 -22.5791 -22.5791 -19.5242 -19.5242 -19.3571 -19.3571 -19.3283 -19.3283 -17.7754 -17.7754 -7.5830 -7.5830 -4.6714 -4.6714 -4.2564 -4.2564 -4.0911 -4.0911 -0.0052 -0.0052 0.8035 0.8035 1.7006 1.7006 5.2034 5.2034 8.1793 8.1793 12.9030 12.9030 14.2221 14.2221 k = 0.0085-0.0073 0.0074 ( 3309 PWs) bands (ev): -47.4717 -47.4717 -22.5791 -22.5791 -19.5242 -19.5241 -19.3571 -19.3569 -19.3283 -19.3283 -17.7756 -17.7756 -7.5826 -7.5826 -4.6743 -4.6734 -4.2544 -4.2534 -4.0913 -4.0913 -0.0051 -0.0051 0.8019 0.8023 1.7011 1.7018 5.2039 5.2039 8.1808 8.1810 12.9038 12.9044 14.2098 14.2100 k = 0.0170-0.0147 0.0148 ( 3313 PWs) bands (ev): -47.4717 -47.4717 -22.5790 -22.5790 -19.5241 -19.5239 -19.3570 -19.3567 -19.3284 -19.3283 -17.7764 -17.7763 -7.5813 -7.5813 -4.6820 -4.6803 -4.2476 -4.2457 -4.0918 -4.0918 -0.0045 -0.0045 0.7973 0.7982 1.7031 1.7046 5.2052 5.2052 8.1856 8.1860 12.9068 12.9080 14.1759 14.1762 k = 0.0255-0.0220 0.0222 ( 3313 PWs) bands (ev): -47.4717 -47.4717 -22.5788 -22.5788 -19.5239 -19.5237 -19.3568 -19.3564 -19.3284 -19.3284 -17.7776 -17.7774 -7.5792 -7.5791 -4.6937 -4.6913 -4.2366 -4.2338 -4.0928 -4.0927 -0.0037 -0.0037 0.7900 0.7913 1.7067 1.7090 5.2073 5.2073 8.1936 8.1942 12.9117 12.9135 14.1264 14.1269 k = 0.0340-0.0293 0.0296 ( 3317 PWs) bands (ev): -47.4717 -47.4717 -22.5785 -22.5785 -19.5237 -19.5234 -19.3565 -19.3560 -19.3285 -19.3284 -17.7793 -17.7791 -7.5763 -7.5762 -4.7088 -4.7059 -4.2221 -4.2186 -4.0941 -4.0940 -0.0025 -0.0025 0.7800 0.7818 1.7118 1.7148 5.2102 5.2102 8.2047 8.2056 12.9183 12.9207 14.0670 14.0678 k = 0.0425-0.0366 0.0370 ( 3327 PWs) bands (ev): -47.4717 -47.4717 -22.5782 -22.5782 -19.5234 -19.5231 -19.3561 -19.3555 -19.3286 -19.3285 -17.7814 -17.7811 -7.5726 -7.5726 -4.7265 -4.7231 -4.2048 -4.2007 -4.0958 -4.0957 -0.0010 -0.0010 0.7676 0.7697 1.7184 1.7220 5.2140 5.2140 8.2190 8.2200 12.9260 12.9291 14.0018 14.0029 k = 0.0510-0.0440 0.0444 ( 3325 PWs) bands (ev): -47.4717 -47.4717 -22.5778 -22.5777 -19.5230 -19.5226 -19.3555 -19.3549 -19.3287 -19.3286 -17.7840 -17.7836 -7.5683 -7.5682 -4.7460 -4.7423 -4.1855 -4.1810 -4.0977 -4.0976 0.0009 0.0009 0.7530 0.7555 1.7262 1.7306 5.2186 5.2186 8.2362 8.2375 12.9341 12.9379 13.9335 13.9350 k = 0.0594-0.0513 0.0518 ( 3325 PWs) bands (ev): -47.4717 -47.4717 -22.5773 -22.5772 -19.5225 -19.5222 -19.3549 -19.3542 -19.3288 -19.3287 -17.7870 -17.7866 -7.5633 -7.5632 -4.7667 -4.7627 -4.1650 -4.1600 -4.1000 -4.0999 0.0031 0.0031 0.7364 0.7392 1.7353 1.7403 5.2240 5.2240 8.2563 8.2578 12.9418 12.9464 13.8639 13.8658 k = 0.0679-0.0586 0.0592 ( 3325 PWs) bands (ev): -47.4717 -47.4717 -22.5767 -22.5766 -19.5220 -19.5217 -19.3541 -19.3535 -19.3289 -19.3288 -17.7903 -17.7898 -7.5579 -7.5578 -4.7880 -4.7838 -4.1438 -4.1384 -4.1025 -4.1023 0.0056 0.0057 0.7182 0.7212 1.7456 1.7510 5.2301 5.2301 8.2791 8.2808 12.9480 12.9534 13.7943 13.7967 k = 0.0764-0.0659 0.0666 ( 3339 PWs) bands (ev): -47.4717 -47.4717 -22.5761 -22.5760 -19.5214 -19.5212 -19.3534 -19.3527 -19.3290 -19.3290 -17.7940 -17.7935 -7.5520 -7.5519 -4.8096 -4.8052 -4.1232 -4.1176 -4.1043 -4.1041 0.0085 0.0085 0.6985 0.7017 1.7568 1.7627 5.2369 5.2369 8.3046 8.3064 12.9512 12.9575 13.7258 13.7287 k = 0.0849-0.0733 0.0740 ( 3341 PWs) bands (ev): -47.4717 -47.4717 -22.5754 -22.5753 -19.5208 -19.5207 -19.3524 -19.3519 -19.3292 -19.3291 -17.7980 -17.7975 -7.5458 -7.5457 -4.8309 -4.8264 -4.1123 -4.1108 -4.0965 -4.0924 0.0116 0.0117 0.6778 0.6812 1.7689 1.7753 5.2444 5.2445 8.3325 8.3345 12.9500 12.9571 13.6593 13.6626 k = 0.0934-0.0806 0.0814 ( 3333 PWs) bands (ev): -47.4717 -47.4717 -22.5746 -22.5745 -19.5202 -19.5200 -19.3514 -19.3510 -19.3293 -19.3292 -17.8023 -17.8017 -7.5395 -7.5393 -4.8516 -4.8471 -4.1143 -4.1138 -4.0766 -4.0714 0.0152 0.0152 0.6563 0.6600 1.7818 1.7887 5.2527 5.2527 8.3626 8.3648 12.9427 12.9505 13.5953 13.5989 k = 0.1019-0.0879 0.0888 ( 3333 PWs) bands (ev): -47.4717 -47.4717 -22.5737 -22.5736 -19.5197 -19.5193 -19.3503 -19.3501 -19.3294 -19.3294 -17.8068 -17.8062 -7.5331 -7.5329 -4.8715 -4.8669 -4.1179 -4.1176 -4.0560 -4.0504 0.0190 0.0190 0.6344 0.6382 1.7955 1.8027 5.2615 5.2615 8.3949 8.3973 12.9277 12.9361 13.5341 13.5377 k = 0.1104-0.0952 0.0962 ( 3331 PWs) bands (ev): -47.4717 -47.4717 -22.5727 -22.5726 -19.5192 -19.5185 -19.3492 -19.3491 -19.3296 -19.3296 -17.8114 -17.8109 -7.5268 -7.5266 -4.8904 -4.8858 -4.1220 -4.1218 -4.0359 -4.0302 0.0231 0.0231 0.6124 0.6163 1.8097 1.8173 5.2709 5.2709 8.4291 8.4316 12.9037 12.9125 13.4753 13.4788 k = 0.1189-0.1026 0.1036 ( 3329 PWs) bands (ev): -47.4716 -47.4716 -22.5717 -22.5716 -19.5188 -19.5177 -19.3483 -19.3479 -19.3297 -19.3297 -17.8163 -17.8157 -7.5207 -7.5206 -4.9079 -4.9033 -4.1265 -4.1263 -4.0168 -4.0109 0.0275 0.0275 0.5905 0.5946 1.8244 1.8324 5.2809 5.2809 8.4651 8.4677 12.8704 12.8793 13.4181 13.4213 k = 0.1274-0.1099 0.1110 ( 3321 PWs) bands (ev): -47.4716 -47.4716 -22.5706 -22.5705 -19.5183 -19.5169 -19.3474 -19.3467 -19.3299 -19.3298 -17.8212 -17.8206 -7.5150 -7.5149 -4.9239 -4.9193 -4.1312 -4.1310 -3.9987 -3.9927 0.0321 0.0322 0.5692 0.5734 1.8396 1.8479 5.2913 5.2913 8.5027 8.5054 12.8279 12.8366 13.3612 13.3638 k = 0.1359-0.1172 0.1184 ( 3333 PWs) bands (ev): -47.4716 -47.4716 -22.5695 -22.5694 -19.5181 -19.5161 -19.3467 -19.3456 -19.3301 -19.3300 -17.8262 -17.8257 -7.5098 -7.5097 -4.9383 -4.9337 -4.1362 -4.1361 -3.9819 -3.9758 0.0371 0.0372 0.5486 0.5529 1.8552 1.8637 5.3022 5.3022 8.5417 8.5445 12.7772 12.7855 13.3032 13.3051 k = 0.1444-0.1245 0.1258 ( 3329 PWs) bands (ev): -47.4716 -47.4716 -22.5683 -22.5681 -19.5178 -19.5154 -19.3460 -19.3444 -19.3303 -19.3301 -17.8312 -17.8307 -7.5053 -7.5052 -4.9509 -4.9463 -4.1414 -4.1413 -3.9665 -3.9603 0.0424 0.0424 0.5291 0.5335 1.8710 1.8798 5.3135 5.3135 8.5820 8.5849 12.7195 12.7272 13.2431 13.2442 k = 0.1529-0.1319 0.1332 ( 3325 PWs) bands (ev): -47.4716 -47.4716 -22.5670 -22.5668 -19.5176 -19.5146 -19.3454 -19.3433 -19.3305 -19.3302 -17.8362 -17.8357 -7.5016 -7.5015 -4.9614 -4.9569 -4.1469 -4.1468 -3.9525 -3.9463 0.0479 0.0479 0.5110 0.5154 1.8871 1.8961 5.3251 5.3252 8.6233 8.6263 12.6560 12.6631 13.1803 13.1808 k = 0.1614-0.1392 0.1406 ( 3329 PWs) bands (ev): -47.4716 -47.4716 -22.5657 -22.5655 -19.5175 -19.5139 -19.3449 -19.3423 -19.3307 -19.3303 -17.8411 -17.8407 -7.4988 -7.4988 -4.9699 -4.9654 -4.1525 -4.1524 -3.9402 -3.9339 0.0536 0.0537 0.4945 0.4989 1.9033 1.9125 5.3370 5.3371 8.6657 8.6687 12.5878 12.5943 13.1149 13.1151 k = 0.1699-0.1465 0.1480 ( 3333 PWs) bands (ev): -47.4716 -47.4716 -22.5642 -22.5641 -19.5175 -19.5133 -19.3445 -19.3414 -19.3309 -19.3303 -17.8458 -17.8455 -7.4971 -7.4970 -4.9762 -4.9718 -4.1583 -4.1582 -3.9295 -3.9232 0.0595 0.0596 0.4797 0.4843 1.9196 1.9290 5.3492 5.3492 8.7088 8.7119 12.5160 12.5219 13.0472 13.0479 k = 0.1783-0.1538 0.1554 ( 3333 PWs) bands (ev): -47.4716 -47.4716 -22.5628 -22.5626 -19.5176 -19.5127 -19.3444 -19.3406 -19.3310 -19.3303 -17.8504 -17.8501 -7.4965 -7.4965 -4.9803 -4.9759 -4.1643 -4.1642 -3.9205 -3.9143 0.0657 0.0658 0.4671 0.4717 1.9359 1.9455 5.3616 5.3616 8.7526 8.7558 12.4413 12.4466 12.9783 12.9795 k = 0.1868-0.1612 0.1628 ( 3337 PWs) bands (ev): -47.4716 -47.4716 -22.5613 -22.5610 -19.5177 -19.5121 -19.3444 -19.3400 -19.3311 -19.3302 -17.8548 -17.8546 -7.4972 -7.4971 -4.9820 -4.9777 -4.1704 -4.1703 -3.9134 -3.9071 0.0721 0.0722 0.4567 0.4614 1.9521 1.9619 5.3741 5.3742 8.7970 8.8002 12.3643 12.3690 12.9089 12.9106 k = 0.1953-0.1685 0.1702 ( 3339 PWs) bands (ev): -47.4716 -47.4716 -22.5597 -22.5595 -19.5180 -19.5117 -19.3446 -19.3396 -19.3312 -19.3301 -17.8589 -17.8588 -7.4991 -7.4991 -4.9814 -4.9771 -4.1766 -4.1765 -3.9080 -3.9018 0.0787 0.0788 0.4487 0.4535 1.9682 1.9782 5.3868 5.3868 8.8418 8.8450 12.2855 12.2897 12.8397 12.8417 k = 0.2038-0.1758 0.1776 ( 3335 PWs) bands (ev): -47.4715 -47.4715 -22.5581 -22.5578 -19.5184 -19.5112 -19.3449 -19.3393 -19.3313 -19.3300 -17.8628 -17.8627 -7.5025 -7.5024 -4.9785 -4.9742 -4.1828 -4.1827 -3.9044 -3.8982 0.0855 0.0856 0.4434 0.4483 1.9841 1.9942 5.3995 5.3995 8.8870 8.8902 12.2053 12.2090 12.7713 12.7736 k = 0.2123-0.1831 0.1850 ( 3335 PWs) bands (ev): -47.4715 -47.4715 -22.5564 -22.5561 -19.5188 -19.5109 -19.3455 -19.3393 -19.3313 -19.3298 -17.8663 -17.8663 -7.5072 -7.5071 -4.9732 -4.9690 -4.1892 -4.1891 -3.9026 -3.8964 0.0925 0.0926 0.4407 0.4457 1.9998 2.0100 5.4121 5.4122 8.9324 8.9356 12.1240 12.1273 12.7041 12.7067 k = 0.2208-0.1905 0.1924 ( 3331 PWs) bands (ev): -47.4715 -47.4715 -22.5546 -22.5544 -19.5194 -19.5107 -19.3463 -19.3394 -19.3313 -19.3296 -17.8696 -17.8695 -7.5133 -7.5131 -4.9657 -4.9616 -4.1956 -4.1955 -3.9026 -3.8964 0.0996 0.0997 0.4408 0.4459 2.0151 2.0254 5.4248 5.4248 8.9780 8.9812 12.0419 12.0449 12.6385 12.6413 k = 0.2293-0.1978 0.1998 ( 3331 PWs) bands (ev): -47.4715 -47.4715 -22.5529 -22.5526 -19.5201 -19.5105 -19.3472 -19.3396 -19.3313 -19.3294 -17.8725 -17.8723 -7.5208 -7.5206 -4.9560 -4.9519 -4.2020 -4.2019 -3.9043 -3.8982 0.1068 0.1069 0.4438 0.4490 2.0300 2.0405 5.4373 5.4373 9.0237 9.0269 11.9593 11.9620 12.5748 12.5777 k = 0.2378-0.2051 0.2072 ( 3327 PWs) bands (ev): -47.4715 -47.4715 -22.5511 -22.5508 -19.5208 -19.5105 -19.3484 -19.3400 -19.3314 -19.3293 -17.8750 -17.8747 -7.5296 -7.5293 -4.9442 -4.9402 -4.2084 -4.2083 -3.9076 -3.9016 0.1142 0.1142 0.4497 0.4550 2.0444 2.0550 5.4497 5.4497 9.0695 9.0727 11.8766 11.8790 12.5130 12.5161 k = 0.2463-0.2124 0.2146 ( 3327 PWs) bands (ev): -47.4715 -47.4715 -22.5493 -22.5490 -19.5217 -19.5106 -19.3497 -19.3406 -19.3314 -19.3292 -17.8771 -17.8767 -7.5397 -7.5394 -4.9304 -4.9265 -4.2148 -4.2148 -3.9125 -3.9066 0.1216 0.1217 0.4585 0.4640 2.0582 2.0689 5.4619 5.4620 9.1154 9.1184 11.7939 11.7961 12.4535 12.4566 k = 0.2548-0.2198 0.2220 ( 3319 PWs) bands (ev): -47.4715 -47.4715 -22.5474 -22.5472 -19.5226 -19.5108 -19.3512 -19.3413 -19.3314 -19.3292 -17.8788 -17.8784 -7.5510 -7.5507 -4.9148 -4.9109 -4.2213 -4.2212 -3.9190 -3.9131 0.1291 0.1292 0.4703 0.4759 2.0714 2.0822 5.4739 5.4740 9.1612 9.1642 11.7114 11.7135 12.3962 12.3993 k = 0.2633-0.2271 0.2294 ( 3315 PWs) bands (ev): -47.4714 -47.4714 -22.5455 -22.5453 -19.5236 -19.5111 -19.3528 -19.3421 -19.3314 -19.3292 -17.8801 -17.8796 -7.5635 -7.5632 -4.8975 -4.8936 -4.2276 -4.2275 -3.9269 -3.9210 0.1367 0.1367 0.4850 0.4907 2.0839 2.0948 5.4857 5.4857 9.2070 9.2099 11.6295 11.6314 12.3412 12.3443 k = 0.2718-0.2344 0.2368 ( 3327 PWs) bands (ev): -47.4714 -47.4714 -22.5437 -22.5434 -19.5249 -19.5116 -19.3546 -19.3431 -19.3316 -19.3294 -17.8810 -17.8804 -7.5770 -7.5766 -4.8787 -4.8748 -4.2339 -4.2339 -3.9360 -3.9303 0.1442 0.1443 0.5025 0.5083 2.0956 2.1066 5.4971 5.4971 9.2527 9.2555 11.5483 11.5501 12.2885 12.2916 k = 0.2803-0.2417 0.2442 ( 3329 PWs) bands (ev): -47.4714 -47.4714 -22.5418 -22.5415 -19.5261 -19.5122 -19.3566 -19.3442 -19.3317 -19.3296 -17.8815 -17.8808 -7.5914 -7.5911 -4.8584 -4.8547 -4.2402 -4.2401 -3.9464 -3.9407 0.1518 0.1518 0.5227 0.5286 2.1064 2.1175 5.5082 5.5083 9.2985 9.3012 11.4680 11.4698 12.2381 12.2411 k = 0.2887-0.2491 0.2516 ( 3333 PWs) bands (ev): -47.4714 -47.4714 -22.5399 -22.5396 -19.5275 -19.5130 -19.3586 -19.3455 -19.3318 -19.3298 -17.8816 -17.8808 -7.6067 -7.6063 -4.8370 -4.8333 -4.2463 -4.2462 -3.9578 -3.9522 0.1594 0.1594 0.5456 0.5517 2.1163 2.1275 5.5190 5.5190 9.3442 9.3468 11.3889 11.3906 12.1900 12.1929 k = 0.2972-0.2564 0.2590 ( 3329 PWs) bands (ev): -47.4714 -47.4714 -22.5380 -22.5377 -19.5288 -19.5138 -19.3607 -19.3468 -19.3319 -19.3301 -17.8813 -17.8804 -7.6226 -7.6222 -4.8146 -4.8109 -4.2523 -4.2522 -3.9701 -3.9646 0.1669 0.1669 0.5710 0.5772 2.1253 2.1365 5.5294 5.5295 9.3899 9.3924 11.3111 11.3127 12.1441 12.1469 k = 0.3057-0.2637 0.2664 ( 3329 PWs) bands (ev): -47.4714 -47.4714 -22.5361 -22.5358 -19.5303 -19.5148 -19.3628 -19.3483 -19.3320 -19.3303 -17.8806 -17.8797 -7.6391 -7.6387 -4.7914 -4.7877 -4.2582 -4.2581 -3.9832 -3.9778 0.1744 0.1744 0.5988 0.6052 2.1331 2.1444 5.5395 5.5395 9.4357 9.4381 11.2348 11.2364 12.1004 12.1030 k = 0.3142-0.2710 0.2738 ( 3329 PWs) bands (ev): -47.4714 -47.4714 -22.5342 -22.5340 -19.5318 -19.5160 -19.3650 -19.3499 -19.3322 -19.3306 -17.8796 -17.8786 -7.6561 -7.6556 -4.7675 -4.7639 -4.2640 -4.2639 -3.9970 -3.9916 0.1817 0.1817 0.6288 0.6353 2.1399 2.1512 5.5491 5.5491 9.4816 9.4839 11.1601 11.1617 12.0588 12.0613 k = 0.3227-0.2784 0.2812 ( 3325 PWs) bands (ev): -47.4714 -47.4714 -22.5324 -22.5321 -19.5334 -19.5173 -19.3671 -19.3516 -19.3323 -19.3309 -17.8783 -17.8772 -7.6733 -7.6729 -4.7432 -4.7396 -4.2696 -4.2695 -4.0113 -4.0060 0.1890 0.1890 0.6609 0.6676 2.1455 2.1568 5.5583 5.5583 9.5276 9.5297 11.0874 11.0890 12.0193 12.0216 k = 0.3312-0.2857 0.2886 ( 3325 PWs) bands (ev): -47.4713 -47.4713 -22.5306 -22.5303 -19.5350 -19.5187 -19.3693 -19.3534 -19.3324 -19.3312 -17.8767 -17.8755 -7.6907 -7.6903 -4.7186 -4.7150 -4.2750 -4.2749 -4.0259 -4.0208 0.1961 0.1961 0.6948 0.7016 2.1499 2.1611 5.5671 5.5671 9.5738 9.5758 11.0166 11.0182 11.9818 11.9839 k = 0.3397-0.2930 0.2960 ( 3331 PWs) bands (ev): -47.4713 -47.4713 -22.5288 -22.5285 -19.5366 -19.5203 -19.3715 -19.3553 -19.3326 -19.3315 -17.8748 -17.8737 -7.7082 -7.7077 -4.6940 -4.6904 -4.2803 -4.2802 -4.0409 -4.0358 0.2030 0.2031 0.7304 0.7373 2.1530 2.1642 5.5754 5.5754 9.6203 9.6221 10.9481 10.9497 11.9462 11.9481 k = 0.3482-0.3003 0.3034 ( 3327 PWs) bands (ev): -47.4713 -47.4713 -22.5270 -22.5268 -19.5382 -19.5219 -19.3735 -19.3573 -19.3328 -19.3318 -17.8727 -17.8716 -7.7255 -7.7251 -4.6694 -4.6658 -4.2853 -4.2852 -4.0559 -4.0509 0.2098 0.2098 0.7674 0.7744 2.1548 2.1660 5.5832 5.5833 9.6670 9.6686 10.8819 10.8836 11.9125 11.9140 k = 0.3567-0.3077 0.3108 ( 3327 PWs) bands (ev): -47.4713 -47.4713 -22.5253 -22.5251 -19.5399 -19.5238 -19.3755 -19.3593 -19.3329 -19.3320 -17.8705 -17.8693 -7.7427 -7.7423 -4.6451 -4.6415 -4.2902 -4.2901 -4.0709 -4.0661 0.2164 0.2164 0.8056 0.8126 2.1553 2.1664 5.5906 5.5906 9.7141 9.7155 10.8183 10.8200 11.8804 11.8816 k = 0.3652-0.3150 0.3182 ( 3327 PWs) bands (ev): -47.4713 -47.4713 -22.5237 -22.5235 -19.5416 -19.5257 -19.3774 -19.3613 -19.3330 -19.3323 -17.8681 -17.8669 -7.7596 -7.7591 -4.6212 -4.6176 -4.2948 -4.2947 -4.0859 -4.0811 0.2228 0.2228 0.8446 0.8518 2.1545 2.1655 5.5976 5.5976 9.7614 9.7627 10.7575 10.7593 11.8498 11.8507 k = 0.3737-0.3223 0.3256 ( 3313 PWs) bands (ev): -47.4713 -47.4713 -22.5221 -22.5219 -19.5431 -19.5276 -19.3791 -19.3633 -19.3331 -19.3325 -17.8655 -17.8643 -7.7760 -7.7755 -4.5978 -4.5943 -4.2992 -4.2991 -4.1005 -4.0958 0.2288 0.2289 0.8844 0.8916 2.1524 2.1633 5.6040 5.6041 9.8092 9.8102 10.6997 10.7015 11.8206 11.8210 k = 0.3822-0.3297 0.3330 ( 3318 PWs) bands (ev): -47.4713 -47.4713 -22.5206 -22.5204 -19.5447 -19.5297 -19.3807 -19.3654 -19.3333 -19.3328 -17.8629 -17.8618 -7.7918 -7.7914 -4.5752 -4.5717 -4.3034 -4.3033 -4.1149 -4.1103 0.2346 0.2346 0.9245 0.9317 2.1490 2.1597 5.6100 5.6100 9.8572 9.8580 10.6452 10.6471 11.7923 11.7923 k = 0.3907-0.3370 0.3404 ( 3318 PWs) bands (ev): -47.4713 -47.4713 -22.5192 -22.5189 -19.5461 -19.5318 -19.3822 -19.3674 -19.3334 -19.3330 -17.8603 -17.8592 -7.8070 -7.8067 -4.5534 -4.5499 -4.3073 -4.3072 -4.1288 -4.1243 0.2401 0.2401 0.9647 0.9719 2.1444 2.1549 5.6156 5.6156 9.9055 9.9060 10.5942 10.5962 11.7639 11.7644 k = 0.3991-0.3443 0.3478 ( 3318 PWs) bands (ev): -47.4713 -47.4713 -22.5178 -22.5176 -19.5476 -19.5339 -19.3835 -19.3694 -19.3336 -19.3332 -17.8577 -17.8567 -7.8215 -7.8211 -4.5326 -4.5291 -4.3110 -4.3108 -4.1422 -4.1378 0.2453 0.2453 1.0045 1.0117 2.1386 2.1488 5.6206 5.6207 9.9537 9.9540 10.5473 10.5494 11.7350 11.7362 k = 0.4076-0.3516 0.3552 ( 3318 PWs) bands (ev): -47.4713 -47.4713 -22.5165 -22.5163 -19.5489 -19.5360 -19.3847 -19.3714 -19.3337 -19.3334 -17.8552 -17.8542 -7.8351 -7.8348 -4.5128 -4.5094 -4.3144 -4.3142 -4.1550 -4.1507 0.2501 0.2502 1.0438 1.0508 2.1318 2.1417 5.6253 5.6253 10.0015 10.0015 10.5049 10.5071 11.7043 11.7063 k = 0.4161-0.3590 0.3626 ( 3302 PWs) bands (ev): -47.4712 -47.4712 -22.5153 -22.5152 -19.5500 -19.5380 -19.3856 -19.3732 -19.3338 -19.3335 -17.8527 -17.8518 -7.8479 -7.8475 -4.4942 -4.4908 -4.3174 -4.3173 -4.1670 -4.1629 0.2547 0.2547 1.0821 1.0889 2.1242 2.1336 5.6295 5.6295 10.0477 10.0481 10.4680 10.4704 11.6692 11.6720 k = 0.4246-0.3663 0.3700 ( 3298 PWs) bands (ev): -47.4712 -47.4712 -22.5142 -22.5141 -19.5510 -19.5400 -19.3864 -19.3749 -19.3339 -19.3336 -17.8504 -17.8495 -7.8596 -7.8593 -4.4769 -4.4736 -4.3203 -4.3201 -4.1783 -4.1744 0.2588 0.2588 1.1189 1.1256 2.1158 2.1248 5.6333 5.6333 10.0915 10.0922 10.4378 10.4405 11.6263 11.6298 k = 0.4331-0.3736 0.3774 ( 3304 PWs) bands (ev): -47.4712 -47.4712 -22.5133 -22.5131 -19.5520 -19.5421 -19.3871 -19.3767 -19.3340 -19.3338 -17.8482 -17.8474 -7.8702 -7.8700 -4.4610 -4.4578 -4.3228 -4.3227 -4.1888 -4.1851 0.2625 0.2625 1.1539 1.1603 2.1069 2.1153 5.6366 5.6366 10.1303 10.1314 10.4168 10.4197 11.5723 11.5759 k = 0.4416-0.3809 0.3848 ( 3302 PWs) bands (ev): -47.4712 -47.4712 -22.5124 -22.5123 -19.5528 -19.5440 -19.3876 -19.3783 -19.3340 -19.3339 -17.8462 -17.8455 -7.8798 -7.8795 -4.4465 -4.4435 -4.3251 -4.3249 -4.1983 -4.1949 0.2658 0.2658 1.1866 1.1925 2.0979 2.1056 5.6395 5.6395 10.1608 10.1623 10.4082 10.4113 11.5074 11.5106 k = 0.4501-0.3883 0.3922 ( 3306 PWs) bands (ev): -47.4712 -47.4712 -22.5116 -22.5115 -19.5534 -19.5458 -19.3879 -19.3799 -19.3341 -19.3340 -17.8444 -17.8438 -7.8881 -7.8879 -4.4336 -4.4308 -4.3271 -4.3269 -4.2069 -4.2037 0.2686 0.2687 1.2165 1.2219 2.0890 2.0960 5.6420 5.6420 10.1798 10.1813 10.4152 10.4181 11.4362 11.4388 k = 0.4586-0.3956 0.3996 ( 3306 PWs) bands (ev): -47.4712 -47.4712 -22.5110 -22.5109 -19.5538 -19.5474 -19.3880 -19.3813 -19.3342 -19.3341 -17.8428 -17.8423 -7.8952 -7.8950 -4.4223 -4.4198 -4.3287 -4.3285 -4.2143 -4.2115 0.2711 0.2711 1.2431 1.2478 2.0806 2.0867 5.6441 5.6441 10.1871 10.1884 10.4369 10.4395 11.3641 11.3661 k = 0.4671-0.4029 0.4070 ( 3300 PWs) bands (ev): -47.4712 -47.4712 -22.5104 -22.5103 -19.5540 -19.5489 -19.3880 -19.3826 -19.3342 -19.3341 -17.8415 -17.8411 -7.9011 -7.9009 -4.4128 -4.4106 -4.3301 -4.3299 -4.2205 -4.2181 0.2731 0.2731 1.2658 1.2698 2.0733 2.0783 5.6458 5.6458 10.1867 10.1877 10.4680 10.4701 11.2959 11.2973 k = 0.4756-0.4102 0.4144 ( 3296 PWs) bands (ev): -47.4712 -47.4712 -22.5100 -22.5099 -19.5540 -19.5502 -19.3878 -19.3837 -19.3343 -19.3342 -17.8405 -17.8402 -7.9056 -7.9055 -4.4052 -4.4035 -4.3311 -4.3310 -4.2254 -4.2235 0.2747 0.2747 1.2842 1.2872 2.0672 2.0710 5.6471 5.6471 10.1829 10.1836 10.5018 10.5034 11.2357 11.2367 k = 0.4841-0.4176 0.4218 ( 3298 PWs) bands (ev): -47.4712 -47.4712 -22.5097 -22.5097 -19.5538 -19.5513 -19.3874 -19.3848 -19.3343 -19.3342 -17.8397 -17.8395 -7.9088 -7.9087 -4.3996 -4.3984 -4.3318 -4.3317 -4.2288 -4.2275 0.2758 0.2758 1.2976 1.2997 2.0628 2.0654 5.6481 5.6481 10.1788 10.1792 10.5320 10.5331 11.1879 11.1887 k = 0.4841-0.4176 0.4218 ( 3298 PWs) bands (ev): -47.4712 -47.4712 -22.5097 -22.5097 -19.5538 -19.5513 -19.3874 -19.3848 -19.3343 -19.3342 -17.8397 -17.8395 -7.9088 -7.9087 -4.3996 -4.3984 -4.3318 -4.3317 -4.2288 -4.2275 0.2758 0.2758 1.2976 1.2997 2.0628 2.0654 5.6481 5.6481 10.1788 10.1792 10.5320 10.5331 11.1879 11.1887 k = 0.4845-0.4053 0.4167 ( 3297 PWs) bands (ev): -47.4712 -47.4712 -22.5099 -22.5099 -19.5540 -19.5505 -19.3876 -19.3840 -19.3343 -19.3342 -17.8402 -17.8399 -7.9067 -7.9066 -4.4034 -4.4018 -4.3313 -4.3311 -4.2266 -4.2249 0.2749 0.2750 1.2887 1.2914 2.0656 2.0691 5.6473 5.6473 10.1786 10.1792 10.5126 10.5139 11.2203 11.2213 k = 0.4849-0.3930 0.4116 ( 3301 PWs) bands (ev): -47.4712 -47.4712 -22.5103 -22.5102 -19.5540 -19.5496 -19.3878 -19.3832 -19.3342 -19.3341 -17.8408 -17.8404 -7.9038 -7.9036 -4.4084 -4.4064 -4.3304 -4.3303 -4.2236 -4.2215 0.2737 0.2737 1.2770 1.2804 2.0691 2.0734 5.6460 5.6460 10.1732 10.1739 10.4913 10.4930 11.2617 11.2629 k = 0.4853-0.3807 0.4065 ( 3300 PWs) bands (ev): -47.4712 -47.4712 -22.5108 -22.5107 -19.5538 -19.5486 -19.3878 -19.3823 -19.3341 -19.3340 -17.8414 -17.8410 -7.9001 -7.8999 -4.4145 -4.4123 -4.3292 -4.3290 -4.2199 -4.2175 0.2720 0.2720 1.2628 1.2668 2.0733 2.0783 5.6442 5.6442 10.1629 10.1638 10.4690 10.4710 11.3110 11.3124 k = 0.4857-0.3684 0.4014 ( 3307 PWs) bands (ev): -47.4712 -47.4712 -22.5114 -22.5113 -19.5536 -19.5475 -19.3877 -19.3814 -19.3340 -19.3339 -17.8422 -17.8417 -7.8957 -7.8955 -4.4220 -4.4196 -4.3277 -4.3275 -4.2153 -4.2127 0.2699 0.2699 1.2462 1.2507 2.0779 2.0836 5.6419 5.6419 10.1486 10.1496 10.4464 10.4486 11.3673 11.3688 k = 0.4861-0.3561 0.3963 ( 3307 PWs) bands (ev): -47.4712 -47.4712 -22.5121 -22.5120 -19.5532 -19.5463 -19.3875 -19.3803 -19.3339 -19.3337 -17.8430 -17.8425 -7.8905 -7.8903 -4.4306 -4.4281 -4.3259 -4.3257 -4.2100 -4.2072 0.2673 0.2673 1.2275 1.2324 2.0828 2.0892 5.6391 5.6391 10.1309 10.1321 10.4236 10.4261 11.4299 11.4315 k = 0.4865-0.3438 0.3912 ( 3304 PWs) bands (ev): -47.4712 -47.4712 -22.5130 -22.5129 -19.5526 -19.5450 -19.3872 -19.3792 -19.3337 -19.3335 -17.8439 -17.8433 -7.8846 -7.8844 -4.4405 -4.4378 -4.3238 -4.3236 -4.2039 -4.2009 0.2644 0.2644 1.2070 1.2123 2.0879 2.0948 5.6358 5.6358 10.1108 10.1121 10.4009 10.4036 11.4981 11.4998 k = 0.4869-0.3315 0.3861 ( 3305 PWs) bands (ev): -47.4712 -47.4712 -22.5139 -22.5138 -19.5520 -19.5436 -19.3867 -19.3780 -19.3335 -19.3333 -17.8449 -17.8443 -7.8780 -7.8777 -4.4515 -4.4488 -4.3214 -4.3212 -4.1970 -4.1939 0.2611 0.2611 1.1848 1.1904 2.0930 2.1003 5.6321 5.6321 10.0890 10.0904 10.3785 10.3813 11.5712 11.5730 k = 0.4873-0.3192 0.3810 ( 3302 PWs) bands (ev): -47.4712 -47.4712 -22.5150 -22.5149 -19.5512 -19.5421 -19.3861 -19.3767 -19.3333 -19.3330 -17.8460 -17.8453 -7.8707 -7.8704 -4.4638 -4.4611 -4.3187 -4.3186 -4.1894 -4.1862 0.2574 0.2574 1.1612 1.1671 2.0979 2.1056 5.6280 5.6281 10.0660 10.0674 10.3565 10.3595 11.6486 11.6504 k = 0.4877-0.3069 0.3759 ( 3306 PWs) bands (ev): -47.4712 -47.4712 -22.5162 -22.5160 -19.5503 -19.5406 -19.3854 -19.3753 -19.3331 -19.3327 -17.8471 -17.8463 -7.8627 -7.8624 -4.4771 -4.4745 -4.3158 -4.3157 -4.1811 -4.1779 0.2534 0.2534 1.1365 1.1425 2.1025 2.1106 5.6235 5.6235 10.0422 10.0437 10.3352 10.3384 11.7295 11.7312 k = 0.4881-0.2946 0.3708 ( 3308 PWs) bands (ev): -47.4712 -47.4712 -22.5174 -22.5173 -19.5494 -19.5390 -19.3846 -19.3740 -19.3328 -19.3323 -17.8484 -17.8475 -7.8541 -7.8538 -4.4916 -4.4890 -4.3127 -4.3126 -4.1721 -4.1689 0.2490 0.2490 1.1108 1.1170 2.1068 2.1152 5.6187 5.6187 10.0181 10.0196 10.3150 10.3182 11.8131 11.8147 k = 0.4885-0.2823 0.3657 ( 3309 PWs) bands (ev): -47.4713 -47.4713 -22.5188 -22.5186 -19.5483 -19.5374 -19.3837 -19.3726 -19.3325 -19.3320 -17.8496 -17.8487 -7.8449 -7.8446 -4.5072 -4.5047 -4.3093 -4.3092 -4.1625 -4.1593 0.2443 0.2443 1.0843 1.0906 2.1106 2.1192 5.6135 5.6135 9.9937 9.9952 10.2960 10.2993 11.8984 11.8996 k = 0.4889-0.2700 0.3606 ( 3307 PWs) bands (ev): -47.4713 -47.4713 -22.5202 -22.5200 -19.5472 -19.5357 -19.3826 -19.3711 -19.3322 -19.3316 -17.8510 -17.8500 -7.8350 -7.8347 -4.5237 -4.5213 -4.3058 -4.3057 -4.1522 -4.1491 0.2394 0.2394 1.0573 1.0636 2.1140 2.1227 5.6080 5.6080 9.9692 9.9707 10.2785 10.2818 11.9841 11.9849 k = 0.4893-0.2577 0.3555 ( 3307 PWs) bands (ev): -47.4713 -47.4713 -22.5217 -22.5215 -19.5459 -19.5341 -19.3815 -19.3696 -19.3319 -19.3311 -17.8523 -17.8514 -7.8247 -7.8243 -4.5412 -4.5388 -4.3020 -4.3019 -4.1414 -4.1384 0.2342 0.2342 1.0299 1.0362 2.1167 2.1255 5.6023 5.6023 9.9448 9.9463 10.2627 10.2660 12.0691 12.0693 k = 0.4896-0.2455 0.3504 ( 3307 PWs) bands (ev): -47.4713 -47.4713 -22.5232 -22.5231 -19.5446 -19.5324 -19.3802 -19.3680 -19.3316 -19.3307 -17.8537 -17.8527 -7.8138 -7.8134 -4.5596 -4.5573 -4.2981 -4.2980 -4.1302 -4.1272 0.2288 0.2288 1.0022 1.0086 2.1188 2.1276 5.5963 5.5963 9.9205 9.9219 10.2488 10.2521 12.1519 12.1525 k = 0.4900-0.2332 0.3453 ( 3313 PWs) bands (ev): -47.4713 -47.4713 -22.5248 -22.5247 -19.5432 -19.5307 -19.3788 -19.3665 -19.3313 -19.3303 -17.8552 -17.8542 -7.8024 -7.8021 -4.5787 -4.5765 -4.2941 -4.2940 -4.1185 -4.1156 0.2231 0.2231 0.9745 0.9808 2.1203 2.1291 5.5902 5.5902 9.8964 9.8976 10.2369 10.2401 12.2321 12.2335 k = 0.4904-0.2209 0.3402 ( 3301 PWs) bands (ev): -47.4713 -47.4713 -22.5265 -22.5263 -19.5418 -19.5291 -19.3773 -19.3649 -19.3308 -19.3297 -17.8567 -17.8556 -7.7906 -7.7903 -4.5984 -4.5964 -4.2899 -4.2898 -4.1065 -4.1036 0.2174 0.2174 0.9470 0.9532 2.1212 2.1300 5.5839 5.5839 9.8724 9.8736 10.2270 10.2301 12.3099 12.3121 k = 0.4908-0.2086 0.3351 ( 3305 PWs) bands (ev): -47.4713 -47.4713 -22.5281 -22.5279 -19.5403 -19.5275 -19.3758 -19.3634 -19.3305 -19.3292 -17.8581 -17.8571 -7.7785 -7.7781 -4.6188 -4.6169 -4.2856 -4.2855 -4.0942 -4.0914 0.2114 0.2114 0.9196 0.9256 2.1215 2.1302 5.5775 5.5775 9.8488 9.8498 10.2191 10.2221 12.3855 12.3884 k = 0.4912-0.1963 0.3300 ( 3310 PWs) bands (ev): -47.4713 -47.4713 -22.5298 -22.5296 -19.5388 -19.5259 -19.3742 -19.3619 -19.3302 -19.3287 -17.8597 -17.8586 -7.7660 -7.7656 -4.6397 -4.6379 -4.2813 -4.2812 -4.0816 -4.0790 0.2054 0.2054 0.8925 0.8985 2.1212 2.1298 5.5710 5.5711 9.8254 9.8263 10.2131 10.2160 12.4593 12.4627 k = 0.4916-0.1840 0.3249 ( 3308 PWs) bands (ev): -47.4713 -47.4713 -22.5315 -22.5313 -19.5373 -19.5244 -19.3724 -19.3603 -19.3298 -19.3282 -17.8612 -17.8601 -7.7532 -7.7529 -4.6609 -4.6592 -4.2769 -4.2768 -4.0689 -4.0664 0.1993 0.1993 0.8659 0.8717 2.1204 2.1288 5.5646 5.5646 9.8026 9.8033 10.2091 10.2119 12.5316 12.5354 k = 0.4920-0.1717 0.3198 ( 3315 PWs) bands (ev): -47.4713 -47.4713 -22.5332 -22.5330 -19.5357 -19.5229 -19.3707 -19.3588 -19.3295 -19.3277 -17.8627 -17.8616 -7.7403 -7.7399 -4.6824 -4.6808 -4.2725 -4.2724 -4.0562 -4.0537 0.1931 0.1932 0.8399 0.8456 2.1190 2.1273 5.5581 5.5581 9.7802 9.7808 10.2069 10.2095 12.6024 12.6066 k = 0.4924-0.1594 0.3147 ( 3315 PWs) bands (ev): -47.4713 -47.4713 -22.5349 -22.5347 -19.5342 -19.5215 -19.3689 -19.3573 -19.3291 -19.3271 -17.8642 -17.8631 -7.7272 -7.7268 -4.7040 -4.7025 -4.2680 -4.2680 -4.0434 -4.0411 0.1870 0.1870 0.8146 0.8200 2.1172 2.1253 5.5517 5.5517 9.7584 9.7589 10.2063 10.2088 12.6720 12.6765 k = 0.4928-0.1471 0.3096 ( 3313 PWs) bands (ev): -47.4714 -47.4714 -22.5366 -22.5364 -19.5326 -19.5202 -19.3670 -19.3559 -19.3288 -19.3266 -17.8657 -17.8646 -7.7140 -7.7137 -4.7257 -4.7243 -4.2636 -4.2636 -4.0307 -4.0285 0.1809 0.1810 0.7901 0.7953 2.1150 2.1228 5.5453 5.5454 9.7373 9.7377 10.2072 10.2095 12.7404 12.7450 k = 0.4932-0.1348 0.3045 ( 3317 PWs) bands (ev): -47.4714 -47.4714 -22.5382 -22.5381 -19.5311 -19.5189 -19.3651 -19.3545 -19.3284 -19.3261 -17.8671 -17.8661 -7.7009 -7.7005 -4.7472 -4.7459 -4.2593 -4.2593 -4.0182 -4.0160 0.1749 0.1749 0.7664 0.7714 2.1124 2.1200 5.5391 5.5392 9.7170 9.7173 10.2094 10.2116 12.8075 12.8122 k = 0.4936-0.1225 0.2994 ( 3321 PWs) bands (ev): -47.4714 -47.4714 -22.5398 -22.5397 -19.5295 -19.5177 -19.3632 -19.3531 -19.3281 -19.3256 -17.8685 -17.8675 -7.6878 -7.6875 -4.7685 -4.7673 -4.2551 -4.2550 -4.0058 -4.0038 0.1690 0.1690 0.7436 0.7484 2.1095 2.1168 5.5331 5.5331 9.6975 9.6977 10.2128 10.2148 12.8732 12.8780 k = 0.4940-0.1102 0.2943 ( 3317 PWs) bands (ev): -47.4714 -47.4714 -22.5414 -22.5412 -19.5280 -19.5166 -19.3613 -19.3518 -19.3278 -19.3251 -17.8699 -17.8689 -7.6749 -7.6746 -4.7895 -4.7884 -4.2509 -4.2509 -3.9938 -3.9919 0.1633 0.1633 0.7219 0.7264 2.1065 2.1134 5.5272 5.5272 9.6789 9.6790 10.2172 10.2190 12.9374 12.9422 k = 0.4944-0.0979 0.2892 ( 3307 PWs) bands (ev): -47.4714 -47.4714 -22.5429 -22.5427 -19.5264 -19.5156 -19.3593 -19.3505 -19.3274 -19.3246 -17.8712 -17.8703 -7.6623 -7.6619 -4.8099 -4.8089 -4.2469 -4.2468 -3.9821 -3.9803 0.1577 0.1577 0.7013 0.7056 2.1033 2.1098 5.5216 5.5216 9.6612 9.6613 10.2223 10.2241 12.9999 13.0047 k = 0.4948-0.0856 0.2841 ( 3310 PWs) bands (ev): -47.4714 -47.4714 -22.5443 -22.5442 -19.5250 -19.5147 -19.3574 -19.3493 -19.3271 -19.3242 -17.8725 -17.8716 -7.6499 -7.6496 -4.8297 -4.8288 -4.2430 -4.2430 -3.9708 -3.9692 0.1523 0.1523 0.6818 0.6858 2.0999 2.1061 5.5162 5.5162 9.6446 9.6446 10.2281 10.2297 13.0605 13.0652 k = 0.4952-0.0733 0.2790 ( 3310 PWs) bands (ev): -47.4714 -47.4714 -22.5457 -22.5456 -19.5236 -19.5139 -19.3556 -19.3481 -19.3268 -19.3238 -17.8737 -17.8729 -7.6381 -7.6378 -4.8487 -4.8479 -4.2393 -4.2393 -3.9601 -3.9586 0.1472 0.1472 0.6635 0.6673 2.0965 2.1024 5.5111 5.5111 9.6289 9.6290 10.2343 10.2358 13.1189 13.1235 k = 0.4956-0.0611 0.2739 ( 3312 PWs) bands (ev): -47.4714 -47.4714 -22.5470 -22.5469 -19.5222 -19.5131 -19.3538 -19.3471 -19.3265 -19.3235 -17.8748 -17.8740 -7.6267 -7.6264 -4.8668 -4.8661 -4.2359 -4.2359 -3.9499 -3.9485 0.1424 0.1424 0.6465 0.6500 2.0932 2.0986 5.5063 5.5063 9.6144 9.6145 10.2408 10.2421 13.1750 13.1794 k = 0.4960-0.0488 0.2688 ( 3312 PWs) bands (ev): -47.4714 -47.4714 -22.5482 -22.5481 -19.5209 -19.5125 -19.3521 -19.3461 -19.3262 -19.3232 -17.8759 -17.8752 -7.6160 -7.6157 -4.8839 -4.8832 -4.2326 -4.2326 -3.9404 -3.9391 0.1378 0.1379 0.6309 0.6341 2.0900 2.0949 5.5018 5.5018 9.6010 9.6012 10.2473 10.2485 13.2283 13.2325 k = 0.4964-0.0365 0.2637 ( 3314 PWs) bands (ev): -47.4714 -47.4714 -22.5493 -22.5492 -19.5197 -19.5120 -19.3505 -19.3452 -19.3259 -19.3230 -17.8769 -17.8762 -7.6059 -7.6057 -4.8998 -4.8992 -4.2296 -4.2296 -3.9316 -3.9304 0.1336 0.1337 0.6166 0.6195 2.0869 2.0914 5.4977 5.4977 9.5888 9.5890 10.2538 10.2549 13.2785 13.2825 k = 0.4968-0.0242 0.2587 ( 3316 PWs) bands (ev): -47.4714 -47.4714 -22.5503 -22.5502 -19.5185 -19.5116 -19.3490 -19.3444 -19.3257 -19.3228 -17.8778 -17.8771 -7.5966 -7.5964 -4.9144 -4.9138 -4.2269 -4.2269 -3.9235 -3.9225 0.1298 0.1298 0.6037 0.6063 2.0840 2.0880 5.4940 5.4940 9.5779 9.5780 10.2601 10.2610 13.3253 13.3289 k = 0.4972-0.0119 0.2536 ( 3320 PWs) bands (ev): -47.4714 -47.4714 -22.5512 -22.5511 -19.5175 -19.5113 -19.3477 -19.3437 -19.3254 -19.3227 -17.8785 -17.8780 -7.5882 -7.5880 -4.9275 -4.9271 -4.2244 -4.2244 -3.9163 -3.9154 0.1264 0.1264 0.5922 0.5945 2.0813 2.0849 5.4907 5.4907 9.5681 9.5683 10.2660 10.2668 13.3682 13.3715 k = 0.4976 0.0004 0.2485 ( 3326 PWs) bands (ev): -47.4715 -47.4715 -22.5520 -22.5519 -19.5165 -19.5112 -19.3464 -19.3432 -19.3251 -19.3227 -17.8792 -17.8787 -7.5808 -7.5806 -4.9392 -4.9388 -4.2223 -4.2223 -3.9099 -3.9091 0.1234 0.1234 0.5822 0.5842 2.0790 2.0820 5.4877 5.4877 9.5597 9.5598 10.2714 10.2721 13.4068 13.4097 k = 0.4980 0.0127 0.2434 ( 3320 PWs) bands (ev): -47.4714 -47.4714 -22.5527 -22.5526 -19.5155 -19.5110 -19.3453 -19.3426 -19.3248 -19.3227 -17.8798 -17.8794 -7.5743 -7.5742 -4.9492 -4.9489 -4.2204 -4.2204 -3.9044 -3.9037 0.1208 0.1208 0.5738 0.5755 2.0769 2.0795 5.4852 5.4852 9.5525 9.5526 10.2762 10.2767 13.4406 13.4431 k = 0.4984 0.0250 0.2383 ( 3320 PWs) bands (ev): -47.4715 -47.4715 -22.5532 -22.5532 -19.5146 -19.5110 -19.3443 -19.3423 -19.3246 -19.3227 -17.8803 -17.8799 -7.5690 -7.5688 -4.9575 -4.9573 -4.2189 -4.2189 -3.8998 -3.8993 0.1186 0.1186 0.5669 0.5682 2.0753 2.0774 5.4832 5.4832 9.5466 9.5467 10.2802 10.2807 13.4691 13.4711 k = 0.4988 0.0373 0.2332 ( 3315 PWs) bands (ev): -47.4714 -47.4714 -22.5537 -22.5536 -19.5138 -19.5111 -19.3435 -19.3420 -19.3243 -19.3228 -17.8806 -17.8804 -7.5647 -7.5646 -4.9641 -4.9639 -4.2177 -4.2177 -3.8962 -3.8958 0.1169 0.1169 0.5616 0.5626 2.0741 2.0756 5.4816 5.4816 9.5420 9.5421 10.2835 10.2839 13.4919 13.4934 k = 0.4992 0.0496 0.2281 ( 3316 PWs) bands (ev): -47.4714 -47.4714 -22.5540 -22.5540 -19.5131 -19.5113 -19.3428 -19.3419 -19.3240 -19.3230 -17.8809 -17.8807 -7.5617 -7.5616 -4.9688 -4.9687 -4.2168 -4.2168 -3.8936 -3.8934 0.1157 0.1157 0.5578 0.5584 2.0732 2.0743 5.4804 5.4804 9.5387 9.5387 10.2859 10.2861 13.5085 13.5096 k = 0.4996 0.0619 0.2230 ( 3314 PWs) bands (ev): -47.4714 -47.4714 -22.5542 -22.5542 -19.5125 -19.5116 -19.3424 -19.3419 -19.3237 -19.3232 -17.8810 -17.8809 -7.5598 -7.5598 -4.9716 -4.9716 -4.2163 -4.2163 -3.8920 -3.8919 0.1150 0.1150 0.5556 0.5559 2.0728 2.0734 5.4797 5.4797 9.5367 9.5367 10.2874 10.2875 13.5188 13.5193 k = 0.5000 0.0742 0.2179 ( 3320 PWs) bands (ev): -47.4715 -47.4715 -22.5542 -22.5542 -19.5121 -19.5121 -19.3421 -19.3421 -19.3234 -19.3234 -17.8810 -17.8810 -7.5592 -7.5592 -4.9726 -4.9726 -4.2161 -4.2161 -3.8915 -3.8915 0.1148 0.1148 0.5549 0.5549 2.0729 2.0729 5.4795 5.4795 9.5361 9.5361 10.2879 10.2879 13.5224 13.5224 k = 0.5000 0.0742 0.2179 ( 3320 PWs) bands (ev): -47.4715 -47.4715 -22.5542 -22.5542 -19.5121 -19.5121 -19.3421 -19.3421 -19.3234 -19.3234 -17.8810 -17.8810 -7.5592 -7.5592 -4.9726 -4.9726 -4.2161 -4.2161 -3.8915 -3.8915 0.1148 0.1148 0.5549 0.5549 2.0729 2.0729 5.4795 5.4795 9.5361 9.5361 10.2879 10.2879 13.5224 13.5224 k = 0.4944 0.0790 0.2290 ( 3320 PWs) bands (ev): -47.4715 -47.4715 -22.5542 -22.5542 -19.5124 -19.5118 -19.3423 -19.3419 -19.3239 -19.3231 -17.8810 -17.8809 -7.5591 -7.5591 -4.9725 -4.9724 -4.2169 -4.2166 -3.8916 -3.8916 0.1138 0.1142 0.5551 0.5554 2.0731 2.0731 5.4787 5.4788 9.5376 9.5378 10.2894 10.2896 13.5231 13.5233 k = 0.4889 0.0838 0.2401 ( 3316 PWs) bands (ev): -47.4714 -47.4714 -22.5540 -22.5540 -19.5127 -19.5116 -19.3427 -19.3418 -19.3243 -19.3228 -17.8807 -17.8805 -7.5589 -7.5589 -4.9721 -4.9719 -4.2188 -4.2184 -3.8921 -3.8919 0.1115 0.1122 0.5558 0.5565 2.0737 2.0738 5.4764 5.4768 9.5424 9.5427 10.2941 10.2943 13.5252 13.5257 k = 0.4833 0.0886 0.2512 ( 3314 PWs) bands (ev): -47.4714 -47.4714 -22.5537 -22.5537 -19.5131 -19.5115 -19.3431 -19.3417 -19.3248 -19.3225 -17.8802 -17.8800 -7.5586 -7.5585 -4.9715 -4.9712 -4.2220 -4.2213 -3.8927 -3.8925 0.1078 0.1089 0.5572 0.5582 2.0748 2.0749 5.4728 5.4734 9.5504 9.5508 10.3018 10.3021 13.5289 13.5296 k = 0.4778 0.0933 0.2623 ( 3316 PWs) bands (ev): -47.4714 -47.4714 -22.5534 -22.5534 -19.5136 -19.5115 -19.3437 -19.3418 -19.3253 -19.3223 -17.8796 -17.8792 -7.5581 -7.5580 -4.9706 -4.9702 -4.2265 -4.2255 -3.8937 -3.8933 0.1027 0.1041 0.5592 0.5605 2.0762 2.0765 5.4678 5.4685 9.5615 9.5620 10.3126 10.3131 13.5340 13.5349 k = 0.4722 0.0981 0.2734 ( 3308 PWs) bands (ev): -47.4714 -47.4714 -22.5529 -22.5529 -19.5141 -19.5115 -19.3443 -19.3420 -19.3257 -19.3222 -17.8787 -17.8783 -7.5575 -7.5574 -4.9695 -4.9689 -4.2320 -4.2309 -3.8948 -3.8944 0.0963 0.0980 0.5617 0.5633 2.0782 2.0785 5.4615 5.4624 9.5758 9.5764 10.3265 10.3271 13.5405 13.5416 k = 0.4667 0.1029 0.2846 ( 3312 PWs) bands (ev): -47.4714 -47.4714 -22.5523 -22.5523 -19.5147 -19.5116 -19.3450 -19.3423 -19.3263 -19.3221 -17.8776 -17.8771 -7.5567 -7.5567 -4.9681 -4.9675 -4.2387 -4.2374 -3.8963 -3.8957 0.0885 0.0905 0.5648 0.5667 2.0805 2.0808 5.4538 5.4549 9.5931 9.5939 10.3434 10.3441 13.5483 13.5497 k = 0.4611 0.1077 0.2957 ( 3314 PWs) bands (ev): -47.4714 -47.4714 -22.5516 -22.5516 -19.5154 -19.5118 -19.3459 -19.3427 -19.3268 -19.3221 -17.8764 -17.8758 -7.5558 -7.5558 -4.9665 -4.9658 -4.2465 -4.2449 -3.8979 -3.8973 0.0796 0.0818 0.5684 0.5705 2.0832 2.0836 5.4449 5.4461 9.6134 9.6143 10.3633 10.3641 13.5575 13.5591 k = 0.4556 0.1125 0.3068 ( 3310 PWs) bands (ev): -47.4713 -47.4713 -22.5508 -22.5508 -19.5161 -19.5120 -19.3468 -19.3432 -19.3272 -19.3221 -17.8750 -17.8743 -7.5549 -7.5548 -4.9648 -4.9639 -4.2552 -4.2533 -3.8999 -3.8992 0.0695 0.0719 0.5725 0.5748 2.0863 2.0867 5.4347 5.4361 9.6367 9.6377 10.3862 10.3870 13.5678 13.5697 k = 0.4500 0.1173 0.3179 ( 3310 PWs) bands (ev): -47.4713 -47.4713 -22.5499 -22.5499 -19.5169 -19.5123 -19.3478 -19.3438 -19.3276 -19.3221 -17.8734 -17.8727 -7.5537 -7.5537 -4.9628 -4.9618 -4.2648 -4.2627 -3.9021 -3.9013 0.0583 0.0610 0.5770 0.5795 2.0897 2.0902 5.4234 5.4250 9.6628 9.6639 10.4118 10.4128 13.5792 13.5813 k = 0.4444 0.1221 0.3290 ( 3310 PWs) bands (ev): -47.4713 -47.4713 -22.5490 -22.5490 -19.5177 -19.5127 -19.3490 -19.3445 -19.3280 -19.3222 -17.8716 -17.8708 -7.5525 -7.5524 -4.9608 -4.9596 -4.2753 -4.2729 -3.9045 -3.9036 0.0462 0.0490 0.5820 0.5846 2.0935 2.0940 5.4110 5.4127 9.6916 9.6928 10.4403 10.4413 13.5914 13.5938 k = 0.4389 0.1269 0.3402 ( 3312 PWs) bands (ev): -47.4712 -47.4712 -22.5479 -22.5479 -19.5186 -19.5131 -19.3502 -19.3453 -19.3284 -19.3223 -17.8697 -17.8689 -7.5512 -7.5511 -4.9586 -4.9574 -4.2864 -4.2839 -3.9072 -3.9063 0.0331 0.0360 0.5872 0.5900 2.0975 2.0981 5.3976 5.3995 9.7230 9.7243 10.4715 10.4726 13.6044 13.6071 k = 0.4333 0.1317 0.3513 ( 3312 PWs) bands (ev): -47.4712 -47.4712 -22.5468 -22.5468 -19.5196 -19.5136 -19.3515 -19.3462 -19.3286 -19.3225 -17.8677 -17.8667 -7.5498 -7.5496 -4.9564 -4.9550 -4.2982 -4.2954 -3.9101 -3.9091 0.0191 0.0222 0.5928 0.5956 2.1019 2.1025 5.3832 5.3853 9.7569 9.7583 10.5054 10.5066 13.6179 13.6208 k = 0.4278 0.1365 0.3624 ( 3306 PWs) bands (ev): -47.4712 -47.4712 -22.5456 -22.5456 -19.5205 -19.5141 -19.3529 -19.3471 -19.3289 -19.3226 -17.8655 -17.8645 -7.5482 -7.5481 -4.9541 -4.9526 -4.3104 -4.3074 -3.9133 -3.9123 0.0044 0.0076 0.5987 0.6016 2.1065 2.1072 5.3680 5.3703 9.7932 9.7948 10.5418 10.5430 13.6316 13.6348 k = 0.4222 0.1413 0.3735 ( 3312 PWs) bands (ev): -47.4711 -47.4711 -22.5443 -22.5443 -19.5216 -19.5148 -19.3544 -19.3482 -19.3291 -19.3228 -17.8631 -17.8621 -7.5466 -7.5465 -4.9519 -4.9503 -4.3230 -4.3198 -3.9168 -3.9156 -0.0110 -0.0078 0.6048 0.6077 2.1114 2.1121 5.3520 5.3544 9.8318 9.8334 10.5806 10.5819 13.6452 13.6486 k = 0.4167 0.1461 0.3846 ( 3312 PWs) bands (ev): -47.4711 -47.4711 -22.5430 -22.5430 -19.5226 -19.5154 -19.3560 -19.3493 -19.3293 -19.3230 -17.8607 -17.8597 -7.5449 -7.5448 -4.9498 -4.9480 -4.3359 -4.3325 -3.9205 -3.9192 -0.0270 -0.0237 0.6111 0.6140 2.1164 2.1171 5.3353 5.3379 9.8726 9.8743 10.6217 10.6231 13.6580 13.6617 k = 0.4111 0.1509 0.3958 ( 3314 PWs) bands (ev): -47.4711 -47.4711 -22.5416 -22.5416 -19.5238 -19.5162 -19.3577 -19.3505 -19.3294 -19.3232 -17.8582 -17.8571 -7.5432 -7.5430 -4.9478 -4.9458 -4.3489 -4.3452 -3.9244 -3.9231 -0.0435 -0.0402 0.6176 0.6205 2.1216 2.1224 5.3180 5.3207 9.9153 9.9171 10.6650 10.6665 13.6696 13.6735 k = 0.4056 0.1556 0.4069 ( 3314 PWs) bands (ev): -47.4710 -47.4710 -22.5401 -22.5401 -19.5249 -19.5170 -19.3593 -19.3517 -19.3295 -19.3234 -17.8556 -17.8545 -7.5413 -7.5412 -4.9460 -4.9439 -4.3619 -4.3580 -3.9286 -3.9272 -0.0604 -0.0571 0.6242 0.6271 2.1270 2.1278 5.3002 5.3030 9.9600 9.9618 10.7103 10.7119 13.6789 13.6831 k = 0.4000 0.1604 0.4180 ( 3312 PWs) bands (ev): -47.4710 -47.4710 -22.5386 -22.5386 -19.5261 -19.5178 -19.3610 -19.3529 -19.3296 -19.3236 -17.8529 -17.8518 -7.5395 -7.5393 -4.9444 -4.9422 -4.3747 -4.3705 -3.9330 -3.9315 -0.0777 -0.0744 0.6309 0.6338 2.1325 2.1333 5.2820 5.2850 10.0064 10.0083 10.7575 10.7592 13.6850 13.6893 k = 0.3944 0.1652 0.4291 ( 3312 PWs) bands (ev): -47.4709 -47.4709 -22.5371 -22.5371 -19.5273 -19.5187 -19.3627 -19.3541 -19.3297 -19.3238 -17.8502 -17.8490 -7.5375 -7.5374 -4.9432 -4.9408 -4.3872 -4.3828 -3.9376 -3.9361 -0.0952 -0.0919 0.6377 0.6406 2.1381 2.1389 5.2635 5.2666 10.0545 10.0565 10.8065 10.8082 13.6863 13.6908 k = 0.3889 0.1700 0.4402 ( 3314 PWs) bands (ev): -47.4709 -47.4709 -22.5356 -22.5356 -19.5285 -19.5196 -19.3645 -19.3554 -19.3298 -19.3240 -17.8475 -17.8462 -7.5356 -7.5354 -4.9424 -4.9398 -4.3992 -4.3947 -3.9424 -3.9409 -0.1129 -0.1096 0.6445 0.6473 2.1437 2.1445 5.2447 5.2479 10.1041 10.1062 10.8570 10.8588 13.6810 13.6855 k = 0.3833 0.1748 0.4514 ( 3312 PWs) bands (ev): -47.4708 -47.4708 -22.5340 -22.5340 -19.5298 -19.5206 -19.3662 -19.3567 -19.3298 -19.3242 -17.8446 -17.8434 -7.5336 -7.5334 -4.9419 -4.9392 -4.4107 -4.4060 -3.9475 -3.9459 -0.1307 -0.1274 0.6513 0.6541 2.1494 2.1502 5.2258 5.2291 10.1552 10.1573 10.9089 10.9108 13.6672 13.6715 k = 0.3778 0.1796 0.4625 ( 3316 PWs) bands (ev): -47.4708 -47.4708 -22.5324 -22.5324 -19.5310 -19.5216 -19.3680 -19.3580 -19.3299 -19.3244 -17.8418 -17.8405 -7.5316 -7.5314 -4.9420 -4.9391 -4.4215 -4.4166 -3.9527 -3.9511 -0.1484 -0.1452 0.6581 0.6608 2.1550 2.1558 5.2069 5.2103 10.2075 10.2097 10.9620 10.9640 13.6432 13.6471 k = 0.3722 0.1844 0.4736 ( 3310 PWs) bands (ev): -47.4707 -47.4707 -22.5308 -22.5308 -19.5323 -19.5227 -19.3697 -19.3592 -19.3299 -19.3246 -17.8390 -17.8377 -7.5296 -7.5294 -4.9426 -4.9396 -4.4315 -4.4265 -3.9581 -3.9564 -0.1661 -0.1629 0.6648 0.6675 2.1607 2.1615 5.1881 5.1916 10.2611 10.2633 11.0161 11.0182 13.6084 13.6118 k = 0.3667 0.1892 0.4847 ( 3310 PWs) bands (ev): -47.4707 -47.4707 -22.5293 -22.5293 -19.5336 -19.5237 -19.3713 -19.3605 -19.3299 -19.3248 -17.8362 -17.8349 -7.5276 -7.5274 -4.9438 -4.9407 -4.4407 -4.4354 -3.9637 -3.9620 -0.1837 -0.1805 0.6714 0.6740 2.1662 2.1671 5.1693 5.1729 10.3157 10.3180 11.0710 11.0731 13.5634 13.5662 k = 0.3611 0.1940 0.4958 ( 3312 PWs) bands (ev): -47.4706 -47.4706 -22.5277 -22.5277 -19.5348 -19.5248 -19.3730 -19.3618 -19.3299 -19.3250 -17.8334 -17.8321 -7.5256 -7.5254 -4.9455 -4.9423 -4.4488 -4.4435 -3.9695 -3.9677 -0.2009 -0.1978 0.6780 0.6805 2.1717 2.1726 5.1508 5.1545 10.3713 10.3736 11.1264 11.1287 13.5096 13.5119 k = 0.3556 0.1988 0.5069 ( 3308 PWs) bands (ev): -47.4706 -47.4706 -22.5261 -22.5261 -19.5361 -19.5259 -19.3746 -19.3630 -19.3299 -19.3251 -17.8307 -17.8293 -7.5237 -7.5234 -4.9479 -4.9446 -4.4559 -4.4504 -3.9753 -3.9735 -0.2179 -0.2148 0.6843 0.6868 2.1771 2.1780 5.1326 5.1364 10.4278 10.4301 11.1821 11.1845 13.4490 13.4508 k = 0.3500 0.2036 0.5181 ( 3312 PWs) bands (ev): -47.4705 -47.4705 -22.5246 -22.5246 -19.5373 -19.5270 -19.3761 -19.3642 -19.3299 -19.3253 -17.8280 -17.8266 -7.5218 -7.5215 -4.9508 -4.9475 -4.4619 -4.4564 -3.9813 -3.9794 -0.2345 -0.2315 0.6906 0.6929 2.1824 2.1832 5.1148 5.1187 10.4850 10.4874 11.2380 11.2405 13.3834 13.3848 k = 0.3444 0.2084 0.5292 ( 3314 PWs) bands (ev): -47.4705 -47.4705 -22.5231 -22.5231 -19.5386 -19.5281 -19.3776 -19.3654 -19.3299 -19.3255 -17.8254 -17.8240 -7.5199 -7.5196 -4.9543 -4.9509 -4.4669 -4.4614 -3.9873 -3.9854 -0.2506 -0.2477 0.6966 0.6988 2.1875 2.1883 5.0974 5.1014 10.5428 10.5453 11.2937 11.2963 13.3142 13.3153 k = 0.3389 0.2131 0.5403 ( 3316 PWs) bands (ev): -47.4704 -47.4704 -22.5217 -22.5217 -19.5398 -19.5293 -19.3791 -19.3665 -19.3298 -19.3257 -17.8229 -17.8215 -7.5180 -7.5178 -4.9583 -4.9549 -4.4709 -4.4653 -3.9934 -3.9915 -0.2662 -0.2633 0.7024 0.7046 2.1925 2.1932 5.0806 5.0847 10.6012 10.6037 11.3490 11.3517 13.2426 13.2435 k = 0.3333 0.2179 0.5514 ( 3314 PWs) bands (ev): -47.4704 -47.4704 -22.5203 -22.5203 -19.5409 -19.5303 -19.3804 -19.3676 -19.3298 -19.3258 -17.8204 -17.8190 -7.5163 -7.5160 -4.9627 -4.9592 -4.4738 -4.4683 -3.9995 -3.9975 -0.2812 -0.2783 0.7080 0.7101 2.1973 2.1980 5.0645 5.0686 10.6599 10.6625 11.4036 11.4065 13.1695 13.1701 k = 0.3278 0.2227 0.5625 ( 3312 PWs) bands (ev): -47.4703 -47.4703 -22.5189 -22.5189 -19.5421 -19.5314 -19.3817 -19.3686 -19.3298 -19.3259 -17.8180 -17.8166 -7.5146 -7.5143 -4.9674 -4.9640 -4.4758 -4.4703 -4.0055 -4.0036 -0.2955 -0.2927 0.7134 0.7153 2.2018 2.2025 5.0490 5.0532 10.7188 10.7215 11.4574 11.4603 13.0955 13.0960 k = 0.3222 0.2275 0.5737 ( 3312 PWs) bands (ev): -47.4703 -47.4703 -22.5176 -22.5176 -19.5431 -19.5324 -19.3829 -19.3696 -19.3297 -19.3260 -17.8158 -17.8144 -7.5129 -7.5126 -4.9723 -4.9690 -4.4770 -4.4715 -4.0115 -4.0095 -0.3091 -0.3063 0.7184 0.7203 2.2061 2.2068 5.0343 5.0386 10.7777 10.7805 11.5099 11.5130 13.0212 13.0217 k = 0.3167 0.2323 0.5848 ( 3316 PWs) bands (ev): -47.4703 -47.4703 -22.5164 -22.5164 -19.5442 -19.5334 -19.3840 -19.3705 -19.3297 -19.3262 -17.8137 -17.8123 -7.5114 -7.5111 -4.9775 -4.9741 -4.4774 -4.4720 -4.0174 -4.0154 -0.3220 -0.3192 0.7232 0.7250 2.2102 2.2108 5.0205 5.0248 10.8364 10.8393 11.5610 11.5642 12.9471 12.9476 k = 0.3111 0.2371 0.5959 ( 3318 PWs) bands (ev): -47.4702 -47.4702 -22.5152 -22.5152 -19.5452 -19.5344 -19.3851 -19.3714 -19.3297 -19.3263 -17.8117 -17.8103 -7.5099 -7.5096 -4.9826 -4.9794 -4.4772 -4.4719 -4.0230 -4.0211 -0.3340 -0.3313 0.7276 0.7293 2.2140 2.2146 5.0075 5.0118 10.8947 10.8977 11.6103 11.6137 12.8737 12.8743 k = 0.3056 0.2419 0.6070 ( 3314 PWs) bands (ev): -47.4702 -47.4702 -22.5142 -22.5142 -19.5460 -19.5352 -19.3860 -19.3722 -19.3296 -19.3264 -17.8099 -17.8085 -7.5086 -7.5083 -4.9877 -4.9845 -4.4764 -4.4713 -4.0285 -4.0265 -0.3451 -0.3424 0.7318 0.7334 2.2176 2.2181 4.9955 4.9999 10.9522 10.9553 11.6576 11.6611 12.8014 12.8021 k = 0.3000 0.2467 0.6181 ( 3320 PWs) bands (ev): -47.4702 -47.4702 -22.5132 -22.5132 -19.5469 -19.5361 -19.3869 -19.3729 -19.3296 -19.3265 -17.8082 -17.8068 -7.5074 -7.5071 -4.9927 -4.9895 -4.4753 -4.4703 -4.0337 -4.0318 -0.3552 -0.3526 0.7356 0.7370 2.2208 2.2213 4.9844 4.9889 11.0085 11.0118 11.7026 11.7063 12.7307 12.7316 k = 0.2944 0.2515 0.6293 ( 3318 PWs) bands (ev): -47.4701 -47.4701 -22.5123 -22.5123 -19.5476 -19.5368 -19.3877 -19.3736 -19.3296 -19.3266 -17.8066 -17.8053 -7.5062 -7.5059 -4.9974 -4.9943 -4.4738 -4.4690 -4.0386 -4.0366 -0.3645 -0.3619 0.7390 0.7404 2.2237 2.2242 4.9744 4.9789 11.0631 11.0665 11.7450 11.7490 12.6621 12.6631 k = 0.2889 0.2563 0.6404 ( 3316 PWs) bands (ev): -47.4701 -47.4701 -22.5115 -22.5115 -19.5483 -19.5375 -19.3884 -19.3741 -19.3295 -19.3267 -17.8053 -17.8039 -7.5052 -7.5049 -5.0018 -4.9987 -4.4722 -4.4675 -4.0430 -4.0411 -0.3727 -0.3701 0.7421 0.7434 2.2264 2.2268 4.9655 4.9701 11.1154 11.1189 11.7846 11.7888 12.5963 12.5975 k = 0.2833 0.2611 0.6515 ( 3312 PWs) bands (ev): -47.4701 -47.4701 -22.5108 -22.5108 -19.5489 -19.5381 -19.3889 -19.3746 -19.3295 -19.3267 -17.8041 -17.8027 -7.5044 -7.5040 -5.0057 -5.0027 -4.4705 -4.4659 -4.0471 -4.0452 -0.3799 -0.3773 0.7447 0.7460 2.2287 2.2290 4.9577 4.9623 11.1645 11.1682 11.8212 11.8257 12.5339 12.5354 k = 0.2778 0.2659 0.6626 ( 3308 PWs) bands (ev): -47.4701 -47.4701 -22.5102 -22.5102 -19.5494 -19.5386 -19.3894 -19.3750 -19.3294 -19.3268 -17.8030 -17.8017 -7.5036 -7.5033 -5.0091 -5.0062 -4.4689 -4.4645 -4.0505 -4.0487 -0.3860 -0.3835 0.7470 0.7482 2.2306 2.2309 4.9511 4.9557 11.2095 11.2133 11.8544 11.8592 12.4759 12.4778 k = 0.2722 0.2707 0.6737 ( 3310 PWs) bands (ev): -47.4701 -47.4701 -22.5097 -22.5097 -19.5498 -19.5390 -19.3899 -19.3754 -19.3294 -19.3268 -17.8022 -17.8008 -7.5030 -7.5027 -5.0120 -5.0091 -4.4675 -4.4631 -4.0535 -4.0517 -0.3910 -0.3885 0.7489 0.7500 2.2322 2.2325 4.9456 4.9502 11.2492 11.2531 11.8838 11.8890 12.4237 12.4260 k = 0.2667 0.2754 0.6848 ( 3314 PWs) bands (ev): -47.4700 -47.4700 -22.5093 -22.5093 -19.5502 -19.5394 -19.3902 -19.3757 -19.3294 -19.3269 -17.8015 -17.8002 -7.5025 -7.5022 -5.0143 -5.0115 -4.4663 -4.4620 -4.0559 -4.0540 -0.3950 -0.3925 0.7503 0.7514 2.2335 2.2337 4.9413 4.9460 11.2822 11.2863 11.9089 11.9145 12.3789 12.3817 k = 0.2611 0.2802 0.6960 ( 3316 PWs) bands (ev): -47.4700 -47.4700 -22.5090 -22.5090 -19.5504 -19.5396 -19.3904 -19.3759 -19.3294 -19.3269 -17.8010 -17.7997 -7.5022 -7.5018 -5.0160 -5.0132 -4.4654 -4.4611 -4.0576 -4.0558 -0.3978 -0.3954 0.7514 0.7524 2.2344 2.2345 4.9382 4.9429 11.3071 11.3113 11.9286 11.9347 12.3437 12.3471 k = 0.2556 0.2850 0.7071 ( 3318 PWs) bands (ev): -47.4700 -47.4700 -22.5089 -22.5089 -19.5506 -19.5398 -19.3906 -19.3760 -19.3294 -19.3270 -17.8008 -17.7994 -7.5019 -7.5016 -5.0170 -5.0142 -4.4648 -4.4606 -4.0586 -4.0568 -0.3995 -0.3971 0.7520 0.7530 2.2350 2.2350 4.9364 4.9410 11.3227 11.3270 11.9415 11.9479 12.3210 12.3247 k = 0.2500 0.2898 0.7182 ( 3320 PWs) bands (ev): -47.4700 -47.4700 -22.5088 -22.5088 -19.5506 -19.5398 -19.3907 -19.3761 -19.3294 -19.3270 -17.8007 -17.7993 -7.5019 -7.5015 -5.0174 -5.0146 -4.4646 -4.4604 -4.0589 -4.0572 -0.4001 -0.3977 0.7522 0.7532 2.2352 2.2352 4.9358 4.9404 11.3280 11.3323 11.9460 11.9526 12.3130 12.3169 k = 0.3360-0.2898 0.7182 ( 3320 PWs) bands (ev): -47.4704 -47.4704 -22.5044 -22.5042 -19.5392 -19.5348 -19.3740 -19.3712 -19.3423 -19.3355 -17.8403 -17.8402 -7.7708 -7.7701 -4.7052 -4.7020 -4.4228 -4.4221 -4.1348 -4.1305 -0.0857 -0.0830 1.2138 1.2167 2.0972 2.0990 5.1290 5.1305 11.0401 11.0432 11.3845 11.3863 11.9778 11.9787 k = 0.3415-0.2946 0.7072 ( 3318 PWs) bands (ev): -47.4704 -47.4704 -22.5045 -22.5042 -19.5398 -19.5356 -19.3749 -19.3720 -19.3422 -19.3355 -17.8405 -17.8404 -7.7791 -7.7785 -4.6870 -4.6839 -4.4208 -4.4201 -4.1401 -4.1359 -0.0669 -0.0643 1.2200 1.2229 2.0962 2.0980 5.1561 5.1576 11.0213 11.0243 11.3288 11.3305 11.9571 11.9578 k = 0.3470-0.2993 0.6963 ( 3314 PWs) bands (ev): -47.4705 -47.4705 -22.5046 -22.5043 -19.5405 -19.5364 -19.3757 -19.3728 -19.3420 -19.3354 -17.8406 -17.8405 -7.7874 -7.7867 -4.6685 -4.6653 -4.4189 -4.4181 -4.1453 -4.1412 -0.0480 -0.0453 1.2260 1.2289 2.0950 2.0968 5.1835 5.1849 10.9997 11.0025 11.2719 11.2735 11.9369 11.9374 k = 0.3524-0.3040 0.6853 ( 3314 PWs) bands (ev): -47.4705 -47.4705 -22.5047 -22.5045 -19.5411 -19.5372 -19.3766 -19.3736 -19.3418 -19.3354 -17.8407 -17.8406 -7.7955 -7.7949 -4.6496 -4.6465 -4.4171 -4.4163 -4.1506 -4.1466 -0.0289 -0.0262 1.2318 1.2347 2.0937 2.0956 5.2110 5.2124 10.9757 10.9782 11.2140 11.2155 11.9172 11.9177 k = 0.3579-0.3087 0.6743 ( 3313 PWs) bands (ev): -47.4706 -47.4706 -22.5049 -22.5046 -19.5418 -19.5380 -19.3774 -19.3744 -19.3416 -19.3353 -17.8408 -17.8407 -7.8036 -7.8029 -4.6304 -4.6274 -4.4154 -4.4146 -4.1559 -4.1519 -0.0097 -0.0071 1.2373 1.2402 2.0922 2.0942 5.2386 5.2399 10.9497 10.9520 11.1552 11.1566 11.8983 11.8985 k = 0.3634-0.3135 0.6633 ( 3307 PWs) bands (ev): -47.4706 -47.4706 -22.5051 -22.5048 -19.5425 -19.5389 -19.3782 -19.3751 -19.3413 -19.3352 -17.8408 -17.8407 -7.8115 -7.8108 -4.6111 -4.6082 -4.4137 -4.4129 -4.1610 -4.1572 0.0095 0.0121 1.2426 1.2455 2.0907 2.0927 5.2662 5.2674 10.9221 10.9241 11.0960 11.0971 11.8794 11.8800 k = 0.3689-0.3182 0.6523 ( 3309 PWs) bands (ev): -47.4706 -47.4706 -22.5053 -22.5051 -19.5433 -19.5397 -19.3790 -19.3759 -19.3411 -19.3351 -17.8409 -17.8407 -7.8192 -7.8186 -4.5918 -4.5889 -4.4123 -4.4114 -4.1662 -4.1624 0.0286 0.0311 1.2476 1.2505 2.0891 2.0911 5.2936 5.2948 10.8930 10.8947 11.0367 11.0376 11.8539 11.8576 k = 0.3744-0.3229 0.6414 ( 3302 PWs) bands (ev): -47.4707 -47.4707 -22.5055 -22.5053 -19.5440 -19.5406 -19.3797 -19.3766 -19.3407 -19.3350 -17.8409 -17.8407 -7.8267 -7.8261 -4.5725 -4.5697 -4.4109 -4.4100 -4.1712 -4.1675 0.0476 0.0500 1.2524 1.2553 2.0874 2.0895 5.3207 5.3219 10.8621 10.8635 10.9782 10.9790 11.8025 11.8051 k = 0.3799-0.3277 0.6304 ( 3302 PWs) bands (ev): -47.4707 -47.4707 -22.5058 -22.5056 -19.5447 -19.5414 -19.3805 -19.3773 -19.3404 -19.3349 -17.8408 -17.8407 -7.8340 -7.8334 -4.5534 -4.5506 -4.4096 -4.4086 -4.1761 -4.1725 0.0662 0.0687 1.2570 1.2598 2.0856 2.0878 5.3475 5.3487 10.8289 10.8299 10.9219 10.9227 11.7473 11.7497 k = 0.3854-0.3324 0.6194 ( 3296 PWs) bands (ev): -47.4708 -47.4708 -22.5061 -22.5059 -19.5454 -19.5422 -19.3812 -19.3780 -19.3400 -19.3348 -17.8408 -17.8407 -7.8411 -7.8405 -4.5345 -4.5318 -4.4083 -4.4074 -4.1809 -4.1774 0.0846 0.0870 1.2613 1.2641 2.0839 2.0861 5.3739 5.3749 10.7915 10.7923 10.8699 10.8711 11.6938 11.6960 k = 0.3908-0.3371 0.6084 ( 3294 PWs) bands (ev): -47.4708 -47.4708 -22.5063 -22.5061 -19.5462 -19.5431 -19.3818 -19.3787 -19.3397 -19.3346 -17.8408 -17.8406 -7.8479 -7.8473 -4.5160 -4.5133 -4.4072 -4.4062 -4.1856 -4.1821 0.1026 0.1049 1.2653 1.2681 2.0821 2.0843 5.3996 5.4006 10.7480 10.7490 10.8250 10.8266 11.6423 11.6444 k = 0.3963-0.3419 0.5975 ( 3294 PWs) bands (ev): -47.4708 -47.4708 -22.5066 -22.5064 -19.5469 -19.5439 -19.3825 -19.3794 -19.3393 -19.3345 -17.8407 -17.8405 -7.8544 -7.8539 -4.4979 -4.4953 -4.4062 -4.4051 -4.1901 -4.1867 0.1200 0.1223 1.2691 1.2719 2.0804 2.0826 5.4247 5.4256 10.6989 10.7000 10.7876 10.7893 11.5931 11.5950 k = 0.4018-0.3466 0.5865 ( 3290 PWs) bands (ev): -47.4709 -47.4709 -22.5069 -22.5068 -19.5476 -19.5447 -19.3830 -19.3800 -19.3389 -19.3344 -17.8406 -17.8405 -7.8607 -7.8601 -4.4803 -4.4777 -4.4052 -4.4041 -4.1944 -4.1911 0.1370 0.1391 1.2727 1.2754 2.0786 2.0809 5.4489 5.4498 10.6469 10.6480 10.7556 10.7573 11.5462 11.5481 k = 0.4073-0.3513 0.5755 ( 3298 PWs) bands (ev): -47.4709 -47.4709 -22.5072 -22.5071 -19.5483 -19.5455 -19.3836 -19.3806 -19.3385 -19.3343 -17.8406 -17.8404 -7.8666 -7.8661 -4.4634 -4.4609 -4.4043 -4.4032 -4.1986 -4.1953 0.1532 0.1553 1.2759 1.2786 2.0768 2.0792 5.4722 5.4731 10.5944 10.5955 10.7270 10.7287 11.5018 11.5036 k = 0.4128-0.3561 0.5645 ( 3298 PWs) bands (ev): -47.4710 -47.4710 -22.5075 -22.5074 -19.5490 -19.5462 -19.3842 -19.3811 -19.3381 -19.3342 -17.8405 -17.8403 -7.8722 -7.8717 -4.4472 -4.4448 -4.4033 -4.4022 -4.2025 -4.1993 0.1687 0.1707 1.2790 1.2816 2.0751 2.0775 5.4945 5.4953 10.5430 10.5439 10.7009 10.7024 11.4600 11.4617 k = 0.4183-0.3608 0.5536 ( 3296 PWs) bands (ev): -47.4710 -47.4710 -22.5078 -22.5077 -19.5496 -19.5469 -19.3846 -19.3817 -19.3377 -19.3341 -17.8404 -17.8402 -7.8774 -7.8770 -4.4319 -4.4296 -4.4024 -4.4012 -4.2062 -4.2031 0.1835 0.1853 1.2818 1.2844 2.0735 2.0759 5.5157 5.5164 10.4935 10.4943 10.6767 10.6781 11.4209 11.4225 k = 0.4237-0.3655 0.5426 ( 3298 PWs) bands (ev): -47.4710 -47.4710 -22.5081 -22.5079 -19.5502 -19.5476 -19.3851 -19.3821 -19.3374 -19.3340 -17.8403 -17.8401 -7.8823 -7.8819 -4.4179 -4.4159 -4.4010 -4.3997 -4.2097 -4.2067 0.1973 0.1991 1.2844 1.2869 2.0719 2.0744 5.5356 5.5362 10.4465 10.4472 10.6543 10.6556 11.3846 11.3860 k = 0.4292-0.3702 0.5316 ( 3300 PWs) bands (ev): -47.4710 -47.4710 -22.5083 -22.5082 -19.5508 -19.5482 -19.3855 -19.3826 -19.3370 -19.3339 -17.8402 -17.8400 -7.8868 -7.8864 -4.4068 -4.4060 -4.3975 -4.3958 -4.2129 -4.2100 0.2102 0.2118 1.2867 1.2892 2.0705 2.0729 5.5541 5.5547 10.4024 10.4031 10.6337 10.6349 11.3512 11.3525 k = 0.4347-0.3750 0.5206 ( 3307 PWs) bands (ev): -47.4711 -47.4711 -22.5086 -22.5085 -19.5514 -19.5488 -19.3859 -19.3830 -19.3367 -19.3339 -17.8401 -17.8400 -7.8909 -7.8906 -4.4029 -4.4023 -4.3884 -4.3863 -4.2159 -4.2131 0.2221 0.2236 1.2888 1.2912 2.0691 2.0716 5.5712 5.5718 10.3616 10.3622 10.6148 10.6160 11.3207 11.3219 k = 0.4402-0.3797 0.5096 ( 3303 PWs) bands (ev): -47.4711 -47.4711 -22.5088 -22.5087 -19.5519 -19.5493 -19.3862 -19.3834 -19.3363 -19.3338 -17.8401 -17.8399 -7.8946 -7.8943 -4.4018 -4.4009 -4.3777 -4.3755 -4.2186 -4.2159 0.2330 0.2343 1.2907 1.2930 2.0679 2.0703 5.5868 5.5873 10.3244 10.3250 10.5978 10.5989 11.2932 11.2943 k = 0.4457-0.3844 0.4987 ( 3304 PWs) bands (ev): -47.4711 -47.4711 -22.5090 -22.5089 -19.5523 -19.5498 -19.3865 -19.3837 -19.3360 -19.3338 -17.8400 -17.8398 -7.8979 -7.8976 -4.4012 -4.4002 -4.3675 -4.3655 -4.2210 -4.2184 0.2427 0.2439 1.2923 1.2946 2.0667 2.0692 5.6008 5.6012 10.2911 10.2916 10.5826 10.5837 11.2687 11.2698 k = 0.4512-0.3892 0.4877 ( 3300 PWs) bands (ev): -47.4711 -47.4711 -22.5092 -22.5091 -19.5527 -19.5502 -19.3867 -19.3840 -19.3357 -19.3338 -17.8399 -17.8397 -7.9008 -7.9005 -4.4007 -4.3996 -4.3585 -4.3566 -4.2231 -4.2207 0.2513 0.2523 1.2937 1.2960 2.0657 2.0682 5.6131 5.6134 10.2618 10.2623 10.5694 10.5704 11.2475 11.2484 k = 0.4567-0.3939 0.4767 ( 3300 PWs) bands (ev): -47.4712 -47.4712 -22.5093 -22.5093 -19.5531 -19.5505 -19.3869 -19.3842 -19.3354 -19.3338 -17.8399 -17.8397 -7.9032 -7.9030 -4.4004 -4.3992 -4.3506 -4.3490 -4.2248 -4.2227 0.2586 0.2595 1.2949 1.2971 2.0648 2.0674 5.6236 5.6239 10.2367 10.2372 10.5580 10.5591 11.2294 11.2303 k = 0.4621-0.3986 0.4657 ( 3297 PWs) bands (ev): -47.4712 -47.4712 -22.5095 -22.5094 -19.5533 -19.5508 -19.3871 -19.3844 -19.3351 -19.3338 -17.8398 -17.8396 -7.9052 -7.9051 -4.4001 -4.3989 -4.3441 -4.3427 -4.2263 -4.2243 0.2647 0.2654 1.2959 1.2980 2.0641 2.0667 5.6323 5.6325 10.2160 10.2165 10.5487 10.5498 11.2145 11.2153 k = 0.4676-0.4034 0.4548 ( 3295 PWs) bands (ev): -47.4712 -47.4712 -22.5096 -22.5095 -19.5535 -19.5510 -19.3872 -19.3846 -19.3348 -19.3339 -17.8398 -17.8396 -7.9068 -7.9067 -4.3999 -4.3987 -4.3388 -4.3378 -4.2274 -4.2257 0.2695 0.2700 1.2966 1.2987 2.0636 2.0661 5.6391 5.6393 10.1998 10.2002 10.5414 10.5425 11.2029 11.2037 k = 0.4731-0.4081 0.4438 ( 3299 PWs) bands (ev): -47.4712 -47.4712 -22.5096 -22.5096 -19.5537 -19.5512 -19.3873 -19.3847 -19.3346 -19.3340 -17.8397 -17.8395 -7.9079 -7.9078 -4.3998 -4.3986 -4.3351 -4.3343 -4.2282 -4.2267 0.2729 0.2732 1.2972 1.2992 2.0632 2.0657 5.6441 5.6442 10.1881 10.1885 10.5362 10.5373 11.1946 11.1953 k = 0.4786-0.4128 0.4328 ( 3296 PWs) bands (ev): -47.4712 -47.4712 -22.5097 -22.5096 -19.5538 -19.5513 -19.3874 -19.3847 -19.3344 -19.3341 -17.8397 -17.8395 -7.9086 -7.9085 -4.3997 -4.3985 -4.3327 -4.3323 -4.2287 -4.2273 0.2750 0.2752 1.2975 1.2996 2.0629 2.0655 5.6471 5.6471 10.1811 10.1815 10.5331 10.5341 11.1896 11.1903 k = 0.4841-0.4176 0.4218 ( 3298 PWs) bands (ev): -47.4712 -47.4712 -22.5097 -22.5097 -19.5538 -19.5513 -19.3874 -19.3848 -19.3343 -19.3342 -17.8397 -17.8395 -7.9088 -7.9087 -4.3996 -4.3984 -4.3318 -4.3317 -4.2288 -4.2275 0.2758 0.2758 1.2976 1.2997 2.0628 2.0654 5.6481 5.6481 10.1788 10.1792 10.5320 10.5331 11.1879 11.1887 k = 0.5159 0.5659 0.0139 ( 3298 PWs) bands (ev): -47.4712 -47.4712 -22.5097 -22.5097 -19.5538 -19.5513 -19.3874 -19.3848 -19.3343 -19.3342 -17.8397 -17.8395 -7.9088 -7.9087 -4.3996 -4.3984 -4.3318 -4.3317 -4.2288 -4.2275 0.2758 0.2758 1.2976 1.2997 2.0628 2.0654 5.6481 5.6481 10.1788 10.1792 10.5320 10.5331 11.1879 11.1887 k = 0.5080 0.5728 0.0069 ( 3292 PWs) bands (ev): -47.4712 -47.4712 -22.5095 -22.5095 -19.5534 -19.5522 -19.3869 -19.3856 -19.3343 -19.3342 -17.8393 -17.8392 -7.9106 -7.9105 -4.3964 -4.3957 -4.3322 -4.3321 -4.2306 -4.2300 0.2764 0.2764 1.3054 1.3065 2.0606 2.0619 5.6486 5.6486 10.1760 10.1762 10.5518 10.5523 11.1589 11.1593 k = 0.5000 0.5796-0.0000 ( 3292 PWs) bands (ev): -47.4712 -47.4712 -22.5095 -22.5095 -19.5529 -19.5529 -19.3863 -19.3863 -19.3343 -19.3343 -17.8391 -17.8391 -7.9111 -7.9111 -4.3950 -4.3950 -4.3323 -4.3323 -4.2310 -4.2310 0.2766 0.2766 1.3084 1.3084 2.0603 2.0603 5.6488 5.6488 10.1751 10.1751 10.5591 10.5591 11.1489 11.1489 Writing output data file NaNO2.save init_run : 1.64s CPU 10.61s WALL ( 1 calls) electrons : 363.59s CPU 374.88s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.30s WALL ( 1 calls) potinit : 0.37s CPU 2.03s WALL ( 1 calls) Called by electrons: c_bands : 363.51s CPU 374.61s WALL ( 1 calls) v_of_rho : 0.09s CPU 0.96s WALL ( 1 calls) v_h : 0.00s CPU 0.17s WALL ( 1 calls) v_xc : 0.09s CPU 0.52s WALL ( 1 calls) newd : 0.08s CPU 0.55s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.07s WALL ( 459 calls) cegterg : 337.98s CPU 345.28s WALL ( 820 calls) Called by sum_band: Called by *egterg: h_psi : 181.68s CPU 191.75s WALL ( 13759 calls) s_psi : 4.96s CPU 5.68s WALL ( 13759 calls) g_psi : 0.41s CPU 0.46s WALL ( 12480 calls) cdiaghg : 106.64s CPU 105.57s WALL ( 12939 calls) cegterg:over : 26.99s CPU 24.03s WALL ( 12480 calls) cegterg:upda : 3.41s CPU 6.44s WALL ( 12480 calls) cegterg:last : 3.89s CPU 4.76s WALL ( 2450 calls) Called by h_psi: h_psi:vloc : 164.93s CPU 174.54s WALL ( 13759 calls) h_psi:vnl : 16.64s CPU 16.76s WALL ( 13759 calls) add_vuspsi : 2.40s CPU 4.75s WALL ( 13759 calls) General routines calbec : 14.21s CPU 11.89s WALL ( 13759 calls) fft : 0.10s CPU 1.13s WALL ( 19 calls) ffts : 0.14s CPU 0.53s WALL ( 4 calls) fftw : 159.61s CPU 167.20s WALL ( 996784 calls) interpolate : 0.14s CPU 0.55s WALL ( 4 calls) davcio : 0.04s CPU 1.40s WALL ( 918 calls) Parallel routines fft_scatter : 105.87s CPU 110.35s WALL ( 996807 calls) PWSCF : 6m50.66s CPU 8m18.95s WALL This run was terminated on: 0:36:51 8Oct2015 =------------------------------------------------------------------------------= JOB DONE. 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