Program PWSCF v.5.1.1 starts on 8Oct2015 at 18:13:20 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 43.2 secs Computing kpt #: 2 total cpu time spent up to now is 44.3 secs Computing kpt #: 3 total cpu time spent up to now is 45.5 secs Computing kpt #: 4 total cpu time spent up to now is 46.5 secs Computing kpt #: 5 total cpu time spent up to now is 47.8 secs Computing kpt #: 6 total cpu time spent up to now is 49.2 secs Computing kpt #: 7 total cpu time spent up to now is 50.7 secs Computing kpt #: 8 total cpu time spent up to now is 51.5 secs Computing kpt #: 9 total cpu time spent up to now is 53.0 secs Computing kpt #: 10 total cpu time spent up to now is 54.3 secs Computing kpt #: 11 total cpu time spent up to now is 55.8 secs Computing kpt #: 12 total cpu time spent up to now is 57.4 secs Computing kpt #: 13 total cpu time spent up to now is 58.7 secs Computing kpt #: 14 total cpu time spent up to now is 59.9 secs Computing kpt #: 15 total cpu time spent up to now is 60.9 secs Computing kpt #: 16 total cpu time spent up to now is 62.0 secs Computing kpt #: 17 total cpu time spent up to now is 63.4 secs Computing kpt #: 18 total cpu time spent up to now is 64.9 secs Computing kpt #: 19 total cpu time spent up to now is 66.3 secs Computing kpt #: 20 total cpu time spent up to now is 68.0 secs Computing kpt #: 21 total cpu time spent up to now is 69.0 secs Computing kpt #: 22 total cpu time spent up to now is 70.1 secs Computing kpt #: 23 total cpu time spent up to now is 71.3 secs Computing kpt #: 24 total cpu time spent up to now is 72.2 secs Computing kpt #: 25 total cpu time spent up to now is 73.5 secs Computing kpt #: 26 total cpu time spent up to now is 74.4 secs Computing kpt #: 27 total cpu time spent up to now is 75.3 secs Computing kpt #: 28 total cpu time spent up to now is 76.3 secs Computing kpt #: 29 total cpu time spent up to now is 77.2 secs Computing kpt #: 30 total cpu time spent up to now is 78.4 secs Computing kpt #: 31 total cpu time spent up to now is 79.2 secs Computing kpt #: 32 total cpu time spent up to now is 79.9 secs Computing kpt #: 33 total cpu time spent up to now is 80.7 secs Computing kpt #: 34 total cpu time spent up to now is 81.4 secs Computing kpt #: 35 total cpu time spent up to now is 82.2 secs Computing kpt #: 36 total cpu time spent up to now is 82.9 secs Computing kpt #: 37 total cpu time spent up to now is 83.6 secs Computing kpt #: 38 total cpu time spent up to now is 84.8 secs Computing kpt #: 39 total cpu time spent up to now is 85.5 secs Computing kpt #: 40 total cpu time spent up to now is 86.2 secs Computing kpt #: 41 total cpu time spent up to now is 86.9 secs Computing kpt #: 42 total cpu time spent up to now is 87.5 secs Computing kpt #: 43 total cpu time spent up to now is 88.4 secs Computing kpt #: 44 total cpu time spent up to now is 89.1 secs Computing kpt #: 45 total cpu time spent up to now is 90.2 secs Computing kpt #: 46 total cpu time spent up to now is 90.8 secs Computing kpt #: 47 total cpu time spent up to now is 91.6 secs Computing kpt #: 48 total cpu time spent up to now is 92.3 secs Computing kpt #: 49 total cpu time spent up to now is 92.9 secs Computing kpt #: 50 total cpu time spent up to now is 93.7 secs Computing kpt #: 51 total cpu time spent up to now is 94.4 secs Computing kpt #: 52 total cpu time spent up to now is 95.3 secs Computing kpt #: 53 total cpu time spent up to now is 96.1 secs Computing kpt #: 54 total cpu time spent up to now is 97.4 secs Computing kpt #: 55 total cpu time spent up to now is 98.3 secs Computing kpt #: 56 total cpu time spent up to now is 99.1 secs Computing kpt #: 57 total cpu time spent up to now is 99.8 secs Computing kpt #: 58 total cpu time spent up to now is 100.7 secs Computing kpt #: 59 total cpu time spent up to now is 101.3 secs Computing kpt #: 60 total cpu time spent up to now is 102.6 secs Computing kpt #: 61 total cpu time spent up to now is 103.3 secs Computing kpt #: 62 total cpu time spent up to now is 104.0 secs Computing kpt #: 63 total cpu time spent up to now is 104.7 secs Computing kpt #: 64 total cpu time spent up to now is 105.4 secs Computing kpt #: 65 total cpu time spent up to now is 106.2 secs Computing kpt #: 66 total cpu time spent up to now is 107.5 secs Computing kpt #: 67 total cpu time spent up to now is 108.3 secs Computing kpt #: 68 total cpu time spent up to now is 109.1 secs Computing kpt #: 69 total cpu time spent up to now is 110.0 secs Computing kpt #: 70 total cpu time spent up to now is 110.9 secs Computing kpt #: 71 total cpu time spent up to now is 111.7 secs Computing kpt #: 72 total cpu time spent up to now is 112.9 secs Computing kpt #: 73 total cpu time spent up to now is 113.9 secs Computing kpt #: 74 total cpu time spent up to now is 114.8 secs Computing kpt #: 75 total cpu time spent up to now is 115.6 secs Computing kpt #: 76 total cpu time spent up to now is 116.5 secs Computing kpt #: 77 total cpu time spent up to now is 117.3 secs Computing kpt #: 78 total cpu time spent up to now is 118.6 secs Computing kpt #: 79 total cpu time spent up to now is 119.5 secs Computing kpt #: 80 total cpu time spent up to now is 120.3 secs Computing kpt #: 81 total cpu time spent up to now is 121.2 secs Computing kpt #: 82 total cpu time spent up to now is 122.0 secs Computing kpt #: 83 total cpu time spent up to now is 123.3 secs Computing kpt #: 84 total cpu time spent up to now is 124.2 secs Computing kpt #: 85 total cpu time spent up to now is 125.0 secs Computing kpt #: 86 total cpu time spent up to now is 125.9 secs Computing kpt #: 87 total cpu time spent up to now is 126.7 secs Computing kpt #: 88 total cpu time spent up to now is 127.6 secs Computing kpt #: 89 total cpu time spent up to now is 128.8 secs Computing kpt #: 90 total cpu time spent up to now is 129.7 secs Computing kpt #: 91 total cpu time spent up to now is 130.6 secs Computing kpt #: 92 total cpu time spent up to now is 131.5 secs Computing kpt #: 93 total cpu time spent up to now is 132.3 secs Computing kpt #: 94 total cpu time spent up to now is 133.5 secs Computing kpt #: 95 total cpu time spent up to now is 134.4 secs Computing kpt #: 96 total cpu time spent up to now is 135.1 secs Computing kpt #: 97 total cpu time spent up to now is 136.0 secs Computing kpt #: 98 total cpu time spent up to now is 136.8 secs Computing kpt #: 99 total cpu time spent up to now is 137.6 secs Computing kpt #: 100 total cpu time spent up to now is 138.7 secs Computing kpt #: 101 total cpu time spent up to now is 139.4 secs Computing kpt #: 102 total cpu time spent up to now is 140.2 secs Computing kpt #: 103 total cpu time spent up to now is 140.9 secs Computing kpt #: 104 total cpu 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up to now is 153.8 secs Computing kpt #: 120 total cpu time spent up to now is 154.9 secs Computing kpt #: 121 total cpu time spent up to now is 155.6 secs Computing kpt #: 122 total cpu time spent up to now is 156.3 secs Computing kpt #: 123 total cpu time spent up to now is 156.9 secs Computing kpt #: 124 total cpu time spent up to now is 157.5 secs Computing kpt #: 125 total cpu time spent up to now is 158.2 secs Computing kpt #: 126 total cpu time spent up to now is 158.9 secs Computing kpt #: 127 total cpu time spent up to now is 159.9 secs Computing kpt #: 128 total cpu time spent up to now is 160.6 secs Computing kpt #: 129 total cpu time spent up to now is 161.2 secs Computing kpt #: 130 total cpu time spent up to now is 161.9 secs Computing kpt #: 131 total cpu time spent up to now is 162.5 secs Computing kpt #: 132 total cpu time spent up to now is 163.1 secs Computing kpt #: 133 total cpu time spent up to now is 163.8 secs Computing kpt #: 134 total cpu time spent up to now 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secs Computing kpt #: 150 total cpu time spent up to now is 177.5 secs Computing kpt #: 151 total cpu time spent up to now is 178.2 secs Computing kpt #: 152 total cpu time spent up to now is 179.0 secs Computing kpt #: 153 total cpu time spent up to now is 179.8 secs Computing kpt #: 154 total cpu time spent up to now is 180.8 secs Computing kpt #: 155 total cpu time spent up to now is 181.6 secs Computing kpt #: 156 total cpu time spent up to now is 182.4 secs Computing kpt #: 157 total cpu time spent up to now is 183.2 secs Computing kpt #: 158 total cpu time spent up to now is 184.0 secs Computing kpt #: 159 total cpu time spent up to now is 184.9 secs Computing kpt #: 160 total cpu time spent up to now is 186.0 secs Computing kpt #: 161 total cpu time spent up to now is 186.7 secs Computing kpt #: 162 total cpu time spent up to now is 187.4 secs Computing kpt #: 163 total cpu time spent up to now is 188.1 secs Computing kpt #: 164 total cpu time spent up to now is 188.8 secs Computing kpt #: 165 total cpu time spent up to now is 189.5 secs Computing kpt #: 166 total cpu time spent up to now is 190.3 secs Computing kpt #: 167 total cpu time spent up to now is 191.4 secs Computing kpt #: 168 total cpu time spent up to now is 192.1 secs Computing kpt #: 169 total cpu time spent up to now is 192.7 secs Computing kpt #: 170 total cpu time spent up to now is 193.4 secs Computing kpt #: 171 total cpu time spent up to now is 194.1 secs Computing kpt #: 172 total cpu time spent up to now is 194.8 secs Computing kpt #: 173 total cpu time spent up to now is 195.6 secs Computing kpt #: 174 total cpu time spent up to now is 196.6 secs Computing kpt #: 175 total cpu time spent up to now is 197.3 secs Computing kpt #: 176 total cpu time spent up to now is 198.2 secs Computing kpt #: 177 total cpu time spent up to now is 198.8 secs Computing kpt #: 178 total cpu time spent up to now is 199.6 secs Computing kpt #: 179 total cpu time spent up to now is 200.4 secs Computing 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total cpu time spent up to now is 213.7 secs Computing kpt #: 196 total cpu time spent up to now is 214.5 secs Computing kpt #: 197 total cpu time spent up to now is 215.3 secs Computing kpt #: 198 total cpu time spent up to now is 216.1 secs Computing kpt #: 199 total cpu time spent up to now is 217.3 secs Computing kpt #: 200 total cpu time spent up to now is 218.0 secs Computing kpt #: 201 total cpu time spent up to now is 218.9 secs Computing kpt #: 202 total cpu time spent up to now is 219.8 secs Computing kpt #: 203 total cpu time spent up to now is 220.7 secs Computing kpt #: 204 total cpu time spent up to now is 221.8 secs Computing kpt #: 205 total cpu time spent up to now is 222.9 secs Computing kpt #: 206 total cpu time spent up to now is 223.7 secs Computing kpt #: 207 total cpu time spent up to now is 224.4 secs Computing kpt #: 208 total cpu time spent up to now is 225.1 secs Computing kpt #: 209 total cpu time spent up to now is 226.0 secs Computing kpt #: 210 total cpu 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is 248.4 secs Computing kpt #: 241 total cpu time spent up to now is 249.0 secs Computing kpt #: 242 total cpu time spent up to now is 249.6 secs Computing kpt #: 243 total cpu time spent up to now is 250.4 secs Computing kpt #: 244 total cpu time spent up to now is 251.0 secs Computing kpt #: 245 total cpu time spent up to now is 252.0 secs Computing kpt #: 246 total cpu time spent up to now is 252.6 secs Computing kpt #: 247 total cpu time spent up to now is 253.2 secs Computing kpt #: 248 total cpu time spent up to now is 253.8 secs Computing kpt #: 249 total cpu time spent up to now is 254.4 secs Computing kpt #: 250 total cpu time spent up to now is 255.2 secs Computing kpt #: 251 total cpu time spent up to now is 256.2 secs Computing kpt #: 252 total cpu time spent up to now is 256.9 secs Computing kpt #: 253 total cpu time spent up to now is 257.5 secs Computing kpt #: 254 total cpu time spent up to now is 258.2 secs Computing kpt #: 255 total cpu time spent up to now is 258.8 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total cpu time spent up to now is 300.3 secs Computing kpt #: 302 total cpu time spent up to now is 301.2 secs Computing kpt #: 303 total cpu time spent up to now is 302.0 secs Computing kpt #: 304 total cpu time spent up to now is 303.1 secs Computing kpt #: 305 total cpu time spent up to now is 304.0 secs Computing kpt #: 306 total cpu time spent up to now is 304.9 secs Computing kpt #: 307 total cpu time spent up to now is 305.9 secs Computing kpt #: 308 total cpu time spent up to now is 306.7 secs Computing kpt #: 309 total cpu time spent up to now is 307.8 secs Computing kpt #: 310 total cpu time spent up to now is 308.4 secs Computing kpt #: 311 total cpu time spent up to now is 309.2 secs Computing kpt #: 312 total cpu time spent up to now is 310.1 secs Computing kpt #: 313 total cpu time spent up to now is 310.9 secs Computing kpt #: 314 total cpu time spent up to now is 312.0 secs Computing kpt #: 315 total cpu time spent up to now is 312.8 secs Computing kpt #: 316 total cpu 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secs Computing kpt #: 362 total cpu time spent up to now is 352.3 secs Computing kpt #: 363 total cpu time spent up to now is 353.6 secs Computing kpt #: 364 total cpu time spent up to now is 354.7 secs Computing kpt #: 365 total cpu time spent up to now is 355.4 secs Computing kpt #: 366 total cpu time spent up to now is 356.1 secs Computing kpt #: 367 total cpu time spent up to now is 356.7 secs Computing kpt #: 368 total cpu time spent up to now is 357.4 secs Computing kpt #: 369 total cpu time spent up to now is 358.2 secs Computing kpt #: 370 total cpu time spent up to now is 359.1 secs Computing kpt #: 371 total cpu time spent up to now is 359.8 secs Computing kpt #: 372 total cpu time spent up to now is 360.5 secs Computing kpt #: 373 total cpu time spent up to now is 361.1 secs Computing kpt #: 374 total cpu time spent up to now is 361.8 secs Computing kpt #: 375 total cpu time spent up to now is 362.6 secs Computing kpt #: 376 total cpu time spent up to now is 363.2 secs Computing kpt #: 377 total cpu time spent up to now is 363.9 secs Computing kpt #: 378 total cpu time spent up to now is 364.6 secs Computing kpt #: 379 total cpu time spent up to now is 365.4 secs Computing kpt #: 380 total cpu time spent up to now is 366.1 secs Computing kpt #: 381 total cpu time spent up to now is 366.9 secs Computing kpt #: 382 total cpu time spent up to now is 367.5 secs Computing kpt #: 383 total cpu time spent up to now is 368.2 secs Computing kpt #: 384 total cpu time spent up to now is 368.9 secs Computing kpt #: 385 total cpu time spent up to now is 369.6 secs Computing kpt #: 386 total cpu time spent up to now is 370.3 secs Computing kpt #: 387 total cpu time spent up to now is 371.1 secs Computing kpt #: 388 total cpu time spent up to now is 371.8 secs Computing kpt #: 389 total cpu time spent up to now is 372.5 secs Computing kpt #: 390 total cpu time spent up to now is 373.2 secs Computing kpt #: 391 total cpu time spent up to now is 374.0 secs Computing kpt #: 392 total cpu time spent up to now is 374.8 secs Computing kpt #: 393 total cpu time spent up to now is 375.6 secs Computing kpt #: 394 total cpu time spent up to now is 376.3 secs Computing kpt #: 395 total cpu time spent up to now is 377.1 secs Computing kpt #: 396 total cpu time spent up to now is 378.0 secs Computing kpt #: 397 total cpu time spent up to now is 378.8 secs Computing kpt #: 398 total cpu time spent up to now is 379.7 secs Computing kpt #: 399 total cpu time spent up to now is 380.5 secs Computing kpt #: 400 total cpu time spent up to now is 381.4 secs Computing kpt #: 401 total cpu time spent up to now is 382.4 secs Computing kpt #: 402 total cpu time spent up to now is 383.4 secs Computing kpt #: 403 total cpu time spent up to now is 384.4 secs Computing kpt #: 404 total cpu time spent up to now is 385.3 secs Computing kpt #: 405 total cpu time spent up to now is 386.1 secs Computing kpt #: 406 total cpu time spent up to now is 387.0 secs Computing kpt #: 407 total cpu time spent up to now is 388.0 secs Computing kpt #: 408 total cpu time spent up to now is 389.0 secs Computing kpt #: 409 total cpu time spent up to now is 390.1 secs Computing kpt #: 410 total cpu time spent up to now is 390.9 secs Computing kpt #: 411 total cpu time spent up to now is 391.7 secs Computing kpt #: 412 total cpu time spent up to now is 392.5 secs Computing kpt #: 413 total cpu time spent up to now is 393.2 secs Computing kpt #: 414 total cpu time spent up to now is 394.1 secs Computing kpt #: 415 total cpu time spent up to now is 394.9 secs Computing kpt #: 416 total cpu time spent up to now is 395.7 secs Computing kpt #: 417 total cpu time spent up to now is 396.5 secs Computing kpt #: 418 total cpu time spent up to now is 397.4 secs Computing kpt #: 419 total cpu time spent up to now is 398.0 secs Computing kpt #: 420 total cpu time spent up to now is 398.7 secs Computing kpt #: 421 total cpu time spent up to now is 399.4 secs Computing kpt #: 422 total cpu time spent up to now is 400.1 secs Computing kpt #: 423 total cpu time spent up to now is 400.9 secs Computing kpt #: 424 total cpu time spent up to now is 401.6 secs Computing kpt #: 425 total cpu time spent up to now is 402.2 secs Computing kpt #: 426 total cpu time spent up to now is 402.9 secs Computing kpt #: 427 total cpu time spent up to now is 403.5 secs Computing kpt #: 428 total cpu time spent up to now is 404.1 secs Computing kpt #: 429 total cpu time spent up to now is 405.0 secs Computing kpt #: 430 total cpu time spent up to now is 405.8 secs Computing kpt #: 431 total cpu time spent up to now is 406.7 secs Computing kpt #: 432 total cpu time spent up to now is 407.6 secs Computing kpt #: 433 total cpu time spent up to now is 408.5 secs Computing kpt #: 434 total cpu time spent up to now is 409.4 secs Computing kpt #: 435 total cpu time spent up to now is 410.4 secs Computing kpt #: 436 total cpu time spent up to now is 411.1 secs Computing kpt #: 437 total cpu time spent up to now is 412.1 secs Computing kpt #: 438 total cpu time spent up to now is 413.0 secs Computing kpt #: 439 total cpu time spent up to now is 414.0 secs Computing kpt #: 440 total cpu time spent up to now is 414.8 secs Computing kpt #: 441 total cpu time spent up to now is 415.6 secs Computing kpt #: 442 total cpu time spent up to now is 416.4 secs Computing kpt #: 443 total cpu time spent up to now is 417.1 secs Computing kpt #: 444 total cpu time spent up to now is 417.8 secs Computing kpt #: 445 total cpu time spent up to now is 418.5 secs Computing kpt #: 446 total cpu time spent up to now is 419.3 secs Computing kpt #: 447 total cpu time spent up to now is 420.0 secs Computing kpt #: 448 total cpu time spent up to now is 420.7 secs Computing kpt #: 449 total cpu time spent up to now is 421.3 secs Computing kpt #: 450 total cpu time spent up to now is 422.0 secs Computing kpt #: 451 total cpu time spent up to now is 422.6 secs Computing kpt #: 452 total cpu time spent up to now is 423.3 secs Computing kpt #: 453 total cpu time spent up to now is 424.0 secs Computing kpt #: 454 total cpu time spent up to now is 424.7 secs Computing kpt #: 455 total cpu time spent up to now is 425.5 secs Computing kpt #: 456 total cpu time spent up to now is 426.2 secs Computing kpt #: 457 total cpu time spent up to now is 426.8 secs Computing kpt #: 458 total cpu time spent up to now is 427.5 secs Computing kpt #: 459 total cpu time spent up to now is 428.1 secs ethr = 3.85E-11, avg # of iterations = 27.1 total cpu time spent up to now is 428.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3317 PWs) bands (ev): -47.4762 -47.4762 -22.6509 -22.6509 -19.5286 -19.5286 -19.3615 -19.3615 -19.3327 -19.3327 -17.8322 -17.8322 -7.5652 -7.5652 -4.6826 -4.6826 -4.2790 -4.2790 -4.1338 -4.1338 -0.0144 -0.0144 0.7904 0.7904 1.7314 1.7314 5.2508 5.2508 8.1769 8.1769 12.9510 12.9510 14.2155 14.2155 k =-0.0056 0.0048 0.0112 ( 3317 PWs) bands (ev): -47.4762 -47.4762 -22.6508 -22.6508 -19.5286 -19.5284 -19.3616 -19.3614 -19.3329 -19.3325 -17.8323 -17.8323 -7.5651 -7.5651 -4.6825 -4.6825 -4.2811 -4.2790 -4.1346 -4.1325 -0.0149 -0.0148 0.7905 0.7906 1.7318 1.7319 5.2499 5.2500 8.1785 8.1787 12.9509 12.9509 14.2175 14.2175 k =-0.0112 0.0096 0.0224 ( 3313 PWs) bands (ev): -47.4761 -47.4761 -22.6506 -22.6506 -19.5287 -19.5283 -19.3616 -19.3613 -19.3331 -19.3324 -17.8324 -17.8324 -7.5650 -7.5650 -4.6820 -4.6820 -4.2851 -4.2811 -4.1347 -4.1306 -0.0164 -0.0163 0.7910 0.7911 1.7332 1.7334 5.2475 5.2477 8.1837 8.1841 12.9507 12.9508 14.2237 14.2237 k =-0.0168 0.0145 0.0335 ( 3311 PWs) bands (ev): -47.4761 -47.4761 -22.6504 -22.6504 -19.5288 -19.5282 -19.3616 -19.3611 -19.3333 -19.3323 -17.8326 -17.8326 -7.5648 -7.5648 -4.6813 -4.6813 -4.2909 -4.2852 -4.1343 -4.1283 -0.0188 -0.0186 0.7918 0.7920 1.7354 1.7357 5.2435 5.2438 8.1924 8.1929 12.9503 12.9505 14.2339 14.2339 k =-0.0223 0.0193 0.0447 ( 3315 PWs) bands (ev): -47.4761 -47.4761 -22.6500 -22.6500 -19.5288 -19.5280 -19.3616 -19.3610 -19.3336 -19.3322 -17.8329 -17.8329 -7.5645 -7.5644 -4.6803 -4.6803 -4.2985 -4.2913 -4.1333 -4.1258 -0.0222 -0.0220 0.7929 0.7932 1.7385 1.7389 5.2379 5.2384 8.2045 8.2052 12.9498 12.9500 14.2481 14.2482 k =-0.0279 0.0241 0.0559 ( 3315 PWs) bands (ev): -47.4761 -47.4761 -22.6495 -22.6494 -19.5289 -19.5279 -19.3616 -19.3608 -19.3339 -19.3321 -17.8333 -17.8333 -7.5641 -7.5640 -4.6790 -4.6790 -4.3076 -4.2992 -4.1318 -4.1230 -0.0266 -0.0263 0.7943 0.7947 1.7424 1.7429 5.2309 5.2315 8.2201 8.2210 12.9490 12.9493 14.2663 14.2664 k =-0.0335 0.0289 0.0671 ( 3315 PWs) bands (ev): -47.4761 -47.4761 -22.6489 -22.6488 -19.5289 -19.5277 -19.3616 -19.3606 -19.3342 -19.3321 -17.8338 -17.8338 -7.5636 -7.5636 -4.6774 -4.6774 -4.3182 -4.3089 -4.1299 -4.1201 -0.0318 -0.0314 0.7961 0.7966 1.7472 1.7478 5.2224 5.2232 8.2391 8.2401 12.9481 12.9484 14.2883 14.2883 k =-0.0391 0.0337 0.0783 ( 3319 PWs) bands (ev): -47.4761 -47.4761 -22.6481 -22.6481 -19.5290 -19.5276 -19.3615 -19.3605 -19.3346 -19.3321 -17.8344 -17.8344 -7.5631 -7.5630 -4.6756 -4.6756 -4.3302 -4.3202 -4.1277 -4.1171 -0.0379 -0.0375 0.7982 0.7988 1.7528 1.7535 5.2126 5.2135 8.2614 8.2625 12.9469 12.9473 14.3139 14.3139 k =-0.0447 0.0385 0.0894 ( 3319 PWs) bands (ev): -47.4760 -47.4760 -22.6473 -22.6473 -19.5290 -19.5274 -19.3614 -19.3602 -19.3350 -19.3322 -17.8350 -17.8350 -7.5625 -7.5624 -4.6735 -4.6734 -4.3434 -4.3329 -4.1253 -4.1141 -0.0449 -0.0444 0.8007 0.8013 1.7592 1.7600 5.2015 5.2025 8.2869 8.2882 12.9454 12.9458 14.3429 14.3430 k =-0.0503 0.0434 0.1006 ( 3319 PWs) bands (ev): -47.4760 -47.4760 -22.6464 -22.6463 -19.5290 -19.5272 -19.3613 -19.3600 -19.3354 -19.3322 -17.8357 -17.8357 -7.5619 -7.5618 -4.6711 -4.6711 -4.3578 -4.3470 -4.1227 -4.1111 -0.0526 -0.0520 0.8034 0.8041 1.7663 1.7671 5.1892 5.1903 8.3156 8.3171 12.9435 12.9440 14.3750 14.3751 k =-0.0559 0.0482 0.1118 ( 3315 PWs) bands (ev): -47.4760 -47.4760 -22.6454 -22.6453 -19.5290 -19.5270 -19.3612 -19.3597 -19.3357 -19.3323 -17.8366 -17.8365 -7.5612 -7.5611 -4.6684 -4.6684 -4.3733 -4.3623 -4.1201 -4.1082 -0.0610 -0.0604 0.8065 0.8073 1.7741 1.7750 5.1759 5.1771 8.3475 8.3490 12.9413 12.9418 14.4098 14.4099 k =-0.0614 0.0530 0.1230 ( 3319 PWs) bands (ev): -47.4759 -47.4759 -22.6443 -22.6442 -19.5290 -19.5268 -19.3611 -19.3595 -19.3362 -19.3324 -17.8374 -17.8374 -7.5604 -7.5603 -4.6656 -4.6655 -4.3898 -4.3787 -4.1174 -4.1054 -0.0701 -0.0695 0.8098 0.8107 1.7825 1.7835 5.1615 5.1628 8.3823 8.3840 12.9385 12.9391 14.4467 14.4468 k =-0.0670 0.0578 0.1342 ( 3317 PWs) bands (ev): -47.4759 -47.4759 -22.6431 -22.6430 -19.5290 -19.5266 -19.3609 -19.3592 -19.3365 -19.3325 -17.8384 -17.8384 -7.5597 -7.5596 -4.6624 -4.6624 -4.4071 -4.3961 -4.1146 -4.1026 -0.0799 -0.0792 0.8135 0.8145 1.7915 1.7926 5.1463 5.1477 8.4202 8.4219 12.9353 12.9359 14.4849 14.4851 k =-0.0726 0.0626 0.1453 ( 3319 PWs) bands (ev): -47.4759 -47.4759 -22.6418 -22.6417 -19.5290 -19.5264 -19.3607 -19.3590 -19.3370 -19.3326 -17.8394 -17.8394 -7.5589 -7.5588 -4.6590 -4.6590 -4.4253 -4.4143 -4.1119 -4.0999 -0.0902 -0.0895 0.8175 0.8185 1.8011 1.8022 5.1302 5.1316 8.4608 8.4626 12.9314 12.9321 14.5230 14.5232 k =-0.0782 0.0675 0.1565 ( 3319 PWs) bands (ev): -47.4758 -47.4758 -22.6404 -22.6403 -19.5290 -19.5262 -19.3606 -19.3588 -19.3374 -19.3328 -17.8405 -17.8405 -7.5581 -7.5580 -4.6555 -4.6554 -4.4443 -4.4334 -4.1092 -4.0972 -0.1011 -0.1003 0.8218 0.8229 1.8111 1.8122 5.1135 5.1150 8.5042 8.5061 12.9269 12.9277 14.5592 14.5595 k =-0.0838 0.0723 0.1677 ( 3315 PWs) bands (ev): -47.4758 -47.4758 -22.6389 -22.6388 -19.5290 -19.5259 -19.3604 -19.3585 -19.3377 -19.3329 -17.8417 -17.8417 -7.5573 -7.5572 -4.6516 -4.6516 -4.4638 -4.4531 -4.1065 -4.0946 -0.1123 -0.1115 0.8264 0.8275 1.8215 1.8227 5.0962 5.0978 8.5502 8.5521 12.9217 12.9225 14.5905 14.5908 k =-0.0894 0.0771 0.1789 ( 3315 PWs) bands (ev): -47.4757 -47.4757 -22.6374 -22.6373 -19.5290 -19.5258 -19.3602 -19.3583 -19.3381 -19.3331 -17.8429 -17.8429 -7.5566 -7.5565 -4.6476 -4.6476 -4.4839 -4.4734 -4.1038 -4.0921 -0.1240 -0.1231 0.8313 0.8325 1.8323 1.8336 5.0785 5.0801 8.5987 8.6007 12.9157 12.9166 14.6122 14.6127 k =-0.0950 0.0819 0.1901 ( 3323 PWs) bands (ev): -47.4757 -47.4757 -22.6358 -22.6357 -19.5290 -19.5256 -19.3600 -19.3582 -19.3385 -19.3332 -17.8442 -17.8442 -7.5559 -7.5558 -4.6434 -4.6434 -4.5045 -4.4943 -4.1013 -4.0897 -0.1360 -0.1350 0.8364 0.8377 1.8434 1.8447 5.0605 5.0621 8.6497 8.6517 12.9088 12.9097 14.6186 14.6192 k =-0.1005 0.0867 0.2012 ( 3325 PWs) bands (ev): -47.4756 -47.4756 -22.6342 -22.6341 -19.5291 -19.5255 -19.3599 -19.3580 -19.3388 -19.3334 -17.8455 -17.8455 -7.5553 -7.5552 -4.6391 -4.6390 -4.5255 -4.5154 -4.0987 -4.0873 -0.1482 -0.1472 0.8419 0.8431 1.8548 1.8561 5.0422 5.0439 8.7029 8.7050 12.9009 12.9020 14.6042 14.6049 k =-0.1061 0.0916 0.2124 ( 3325 PWs) bands (ev): -47.4756 -47.4756 -22.6325 -22.6323 -19.5291 -19.5253 -19.3597 -19.3579 -19.3391 -19.3335 -17.8469 -17.8469 -7.5547 -7.5546 -4.6345 -4.6344 -4.5467 -4.5369 -4.0963 -4.0851 -0.1606 -0.1595 0.8476 0.8489 1.8664 1.8677 5.0239 5.0257 8.7584 8.7605 12.8921 12.8932 14.5673 14.5682 k =-0.1117 0.0964 0.2236 ( 3325 PWs) bands (ev): -47.4755 -47.4755 -22.6307 -22.6306 -19.5292 -19.5252 -19.3595 -19.3578 -19.3393 -19.3337 -17.8483 -17.8483 -7.5542 -7.5541 -4.6298 -4.6297 -4.5681 -4.5586 -4.0939 -4.0829 -0.1730 -0.1720 0.8535 0.8549 1.8781 1.8794 5.0057 5.0074 8.8159 8.8181 12.8821 12.8833 14.5112 14.5123 k =-0.1173 0.1012 0.2348 ( 3321 PWs) bands (ev): -47.4755 -47.4755 -22.6289 -22.6287 -19.5292 -19.5250 -19.3594 -19.3577 -19.3395 -19.3338 -17.8498 -17.8498 -7.5538 -7.5537 -4.6251 -4.6248 -4.5895 -4.5803 -4.0916 -4.0808 -0.1855 -0.1843 0.8597 0.8612 1.8899 1.8912 4.9875 4.9893 8.8755 8.8776 12.8711 12.8724 14.4414 14.4427 k =-0.1229 0.1060 0.2460 ( 3325 PWs) bands (ev): -47.4754 -47.4754 -22.6270 -22.6269 -19.5293 -19.5249 -19.3592 -19.3578 -19.3397 -19.3340 -17.8513 -17.8513 -7.5536 -7.5535 -4.6207 -4.6199 -4.6103 -4.6020 -4.0894 -4.0789 -0.1979 -0.1967 0.8662 0.8677 1.9018 1.9031 4.9696 4.9714 8.9369 8.9389 12.8588 12.8602 14.3628 14.3642 k =-0.1285 0.1108 0.2571 ( 3325 PWs) bands (ev): -47.4754 -47.4754 -22.6251 -22.6250 -19.5294 -19.5249 -19.3591 -19.3578 -19.3399 -19.3341 -17.8528 -17.8528 -7.5534 -7.5534 -4.6330 -4.6237 -4.6147 -4.6142 -4.0874 -4.0770 -0.2102 -0.2089 0.8729 0.8744 1.9137 1.9149 4.9521 4.9539 9.0000 9.0020 12.8453 12.8468 14.2788 14.2805 k =-0.1341 0.1156 0.2683 ( 3319 PWs) bands (ev): -47.4753 -47.4753 -22.6232 -22.6231 -19.5295 -19.5248 -19.3590 -19.3579 -19.3400 -19.3342 -17.8544 -17.8544 -7.5534 -7.5534 -4.6539 -4.6451 -4.6095 -4.6092 -4.0854 -4.0753 -0.2222 -0.2210 0.8799 0.8815 1.9255 1.9267 4.9350 4.9368 9.0647 9.0668 12.8305 12.8321 14.1920 14.1939 k =-0.1396 0.1205 0.2795 ( 3321 PWs) bands (ev): -47.4752 -47.4752 -22.6213 -22.6212 -19.5296 -19.5247 -19.3589 -19.3580 -19.3400 -19.3343 -17.8560 -17.8560 -7.5536 -7.5536 -4.6748 -4.6662 -4.6042 -4.6040 -4.0836 -4.0737 -0.2340 -0.2327 0.8870 0.8886 1.9372 1.9384 4.9185 4.9203 9.1310 9.1330 12.8144 12.8161 14.1036 14.1058 k =-0.1452 0.1253 0.2907 ( 3325 PWs) bands (ev): -47.4752 -47.4752 -22.6194 -22.6192 -19.5298 -19.5247 -19.3589 -19.3582 -19.3401 -19.3344 -17.8576 -17.8576 -7.5540 -7.5539 -4.6953 -4.6870 -4.5988 -4.5986 -4.0819 -4.0723 -0.2455 -0.2442 0.8944 0.8960 1.9488 1.9500 4.9026 4.9045 9.1986 9.2006 12.7970 12.7988 14.0149 14.0173 k =-0.1508 0.1301 0.3019 ( 3327 PWs) bands (ev): -47.4751 -47.4751 -22.6174 -22.6172 -19.5300 -19.5247 -19.3589 -19.3584 -19.3401 -19.3345 -17.8592 -17.8592 -7.5545 -7.5545 -4.7153 -4.7073 -4.5933 -4.5931 -4.0804 -4.0710 -0.2566 -0.2552 0.9019 0.9036 1.9602 1.9614 4.8875 4.8894 9.2675 9.2694 12.7782 12.7801 13.9263 13.9289 k =-0.1564 0.1349 0.3130 ( 3331 PWs) bands (ev): -47.4751 -47.4751 -22.6155 -22.6153 -19.5301 -19.5248 -19.3589 -19.3587 -19.3401 -19.3346 -17.8608 -17.8608 -7.5553 -7.5553 -4.7348 -4.7270 -4.5878 -4.5876 -4.0791 -4.0698 -0.2672 -0.2657 0.9097 0.9114 1.9715 1.9726 4.8732 4.8751 9.3376 9.3394 12.7581 12.7601 13.8385 13.8413 k =-0.1620 0.1397 0.3242 ( 3335 PWs) bands (ev): -47.4750 -47.4750 -22.6135 -22.6133 -19.5304 -19.5248 -19.3590 -19.3590 -19.3401 -19.3347 -17.8625 -17.8624 -7.5563 -7.5563 -4.7537 -4.7462 -4.5822 -4.5821 -4.0779 -4.0688 -0.2773 -0.2758 0.9176 0.9194 1.9825 1.9835 4.8598 4.8617 9.4086 9.4104 12.7367 12.7388 13.7516 13.7546 k =-0.1676 0.1446 0.3354 ( 3337 PWs) bands (ev): -47.4750 -47.4750 -22.6116 -22.6114 -19.5306 -19.5249 -19.3593 -19.3591 -19.3401 -19.3348 -17.8641 -17.8641 -7.5575 -7.5575 -4.7719 -4.7646 -4.5767 -4.5765 -4.0769 -4.0680 -0.2867 -0.2852 0.9257 0.9276 1.9932 1.9942 4.8473 4.8493 9.4806 9.4822 12.7139 12.7162 13.6659 13.6691 k =-0.1732 0.1494 0.3466 ( 3333 PWs) bands (ev): -47.4749 -47.4749 -22.6096 -22.6094 -19.5308 -19.5250 -19.3596 -19.3591 -19.3400 -19.3348 -17.8657 -17.8657 -7.5590 -7.5590 -4.7893 -4.7822 -4.5710 -4.5709 -4.0761 -4.0674 -0.2955 -0.2939 0.9340 0.9359 2.0037 2.0046 4.8360 4.8379 9.5533 9.5548 12.6900 12.6924 13.5816 13.5850 k =-0.1788 0.1542 0.3578 ( 3333 PWs) bands (ev): -47.4749 -47.4749 -22.6077 -22.6075 -19.5310 -19.5251 -19.3599 -19.3593 -19.3400 -19.3349 -17.8673 -17.8673 -7.5607 -7.5607 -4.8059 -4.7990 -4.5654 -4.5652 -4.0754 -4.0670 -0.3036 -0.3020 0.9424 0.9443 2.0138 2.0147 4.8258 4.8277 9.6266 9.6281 12.6648 12.6673 13.4987 13.5023 k =-0.1843 0.1590 0.3689 ( 3331 PWs) bands (ev): -47.4748 -47.4748 -22.6058 -22.6056 -19.5312 -19.5252 -19.3603 -19.3594 -19.3400 -19.3350 -17.8689 -17.8689 -7.5627 -7.5627 -4.8216 -4.8148 -4.5598 -4.5596 -4.0750 -4.0667 -0.3110 -0.3093 0.9509 0.9529 2.0236 2.0244 4.8168 4.8187 9.7004 9.7018 12.6386 12.6412 13.4174 13.4212 k =-0.1899 0.1638 0.3801 ( 3331 PWs) bands (ev): -47.4748 -47.4748 -22.6040 -22.6038 -19.5315 -19.5254 -19.3607 -19.3596 -19.3400 -19.3350 -17.8705 -17.8705 -7.5650 -7.5649 -4.8363 -4.8297 -4.5543 -4.5540 -4.0748 -4.0667 -0.3176 -0.3158 0.9596 0.9616 2.0330 2.0338 4.8090 4.8109 9.7745 9.7758 12.6113 12.6140 13.3377 13.3416 k =-0.1955 0.1686 0.3913 ( 3323 PWs) bands (ev): -47.4748 -47.4748 -22.6022 -22.6020 -19.5317 -19.5255 -19.3610 -19.3598 -19.3400 -19.3351 -17.8720 -17.8720 -7.5676 -7.5675 -4.8500 -4.8436 -4.5487 -4.5485 -4.0748 -4.0669 -0.3232 -0.3215 0.9684 0.9705 2.0421 2.0428 4.8025 4.8044 9.8489 9.8500 12.5831 12.5859 13.2595 13.2636 k =-0.2011 0.1735 0.4025 ( 3319 PWs) bands (ev): -47.4747 -47.4747 -22.6004 -22.6002 -19.5320 -19.5257 -19.3613 -19.3601 -19.3400 -19.3352 -17.8735 -17.8735 -7.5705 -7.5703 -4.8626 -4.8563 -4.5432 -4.5430 -4.0751 -4.0673 -0.3281 -0.3262 0.9773 0.9794 2.0507 2.0513 4.7973 4.7993 9.9232 9.9242 12.5540 12.5569 13.1830 13.1873 k =-0.2067 0.1783 0.4137 ( 3319 PWs) bands (ev): -47.4747 -47.4747 -22.5987 -22.5984 -19.5323 -19.5259 -19.3617 -19.3604 -19.3401 -19.3353 -17.8750 -17.8750 -7.5737 -7.5735 -4.8741 -4.8680 -4.5378 -4.5375 -4.0756 -4.0680 -0.3319 -0.3301 0.9863 0.9884 2.0590 2.0595 4.7935 4.7955 9.9974 9.9983 12.5242 12.5272 13.1081 13.1125 k =-0.2123 0.1831 0.4248 ( 3327 PWs) bands (ev): -47.4747 -47.4747 -22.5970 -22.5968 -19.5326 -19.5262 -19.3622 -19.3607 -19.3403 -19.3355 -17.8764 -17.8764 -7.5772 -7.5770 -4.8844 -4.8785 -4.5324 -4.5322 -4.0763 -4.0689 -0.3349 -0.3330 0.9953 0.9974 2.0668 2.0673 4.7912 4.7931 10.0713 10.0720 12.4937 12.4968 13.0347 13.0393 k =-0.2179 0.1879 0.4360 ( 3327 PWs) bands (ev): -47.4746 -47.4746 -22.5954 -22.5951 -19.5329 -19.5264 -19.3626 -19.3611 -19.3404 -19.3356 -17.8779 -17.8778 -7.5810 -7.5808 -4.8936 -4.8878 -4.5272 -4.5269 -4.0773 -4.0700 -0.3368 -0.3349 1.0044 1.0066 2.0742 2.0746 4.7902 4.7922 10.1446 10.1453 12.4627 12.4658 12.9630 12.9677 k =-0.2234 0.1927 0.4472 ( 3331 PWs) bands (ev): -47.4746 -47.4746 -22.5938 -22.5936 -19.5332 -19.5267 -19.3630 -19.3615 -19.3406 -19.3358 -17.8792 -17.8792 -7.5851 -7.5849 -4.9015 -4.8959 -4.5220 -4.5217 -4.0785 -4.0714 -0.3378 -0.3358 1.0135 1.0158 2.0812 2.0815 4.7907 4.7927 10.2173 10.2177 12.4312 12.4344 12.8930 12.8978 k =-0.2290 0.1976 0.4584 ( 3335 PWs) bands (ev): -47.4746 -47.4746 -22.5923 -22.5921 -19.5336 -19.5270 -19.3634 -19.3620 -19.3408 -19.3360 -17.8806 -17.8805 -7.5895 -7.5893 -4.9081 -4.9026 -4.5169 -4.5166 -4.0800 -4.0731 -0.3378 -0.3357 1.0227 1.0249 2.0878 2.0880 4.7927 4.7946 10.2890 10.2893 12.3992 12.4024 12.8246 12.8295 k =-0.2346 0.2024 0.4696 ( 3331 PWs) bands (ev): -47.4746 -47.4746 -22.5909 -22.5906 -19.5339 -19.5273 -19.3638 -19.3624 -19.3411 -19.3361 -17.8818 -17.8818 -7.5943 -7.5940 -4.9134 -4.9081 -4.5119 -4.5116 -4.0817 -4.0749 -0.3366 -0.3345 1.0319 1.0342 2.0939 2.0940 4.7962 4.7981 10.3595 10.3596 12.3668 12.3701 12.7579 12.7630 k =-0.2402 0.2072 0.4807 ( 3325 PWs) bands (ev): -47.4745 -47.4745 -22.5895 -22.5892 -19.5342 -19.5276 -19.3642 -19.3629 -19.3413 -19.3363 -17.8830 -17.8830 -7.5993 -7.5990 -4.9175 -4.9123 -4.5070 -4.5067 -4.0837 -4.0770 -0.3345 -0.3323 1.0411 1.0434 2.0996 2.0997 4.8011 4.8031 10.4285 10.4286 12.3340 12.3373 12.6931 12.6983 k =-0.2458 0.2120 0.4919 ( 3323 PWs) bands (ev): -47.4745 -47.4745 -22.5882 -22.5879 -19.5345 -19.5280 -19.3646 -19.3634 -19.3416 -19.3365 -17.8842 -17.8842 -7.6047 -7.6043 -4.9202 -4.9151 -4.5022 -4.5019 -4.0859 -4.0794 -0.3313 -0.3291 1.0503 1.0527 2.1049 2.1049 4.8076 4.8095 10.4957 10.4960 12.3007 12.3039 12.6303 12.6356 k =-0.2514 0.2168 0.5031 ( 3319 PWs) bands (ev): -47.4745 -47.4745 -22.5869 -22.5867 -19.5349 -19.5283 -19.3650 -19.3639 -19.3420 -19.3368 -17.8853 -17.8853 -7.6103 -7.6100 -4.9216 -4.9166 -4.4976 -4.4972 -4.0884 -4.0820 -0.3269 -0.3247 1.0595 1.0619 2.1096 2.1098 4.8155 4.8174 10.5609 10.5613 12.2667 12.2699 12.5698 12.5751 k =-0.2570 0.2216 0.5143 ( 3317 PWs) bands (ev): -47.4745 -47.4745 -22.5858 -22.5855 -19.5352 -19.5287 -19.3654 -19.3645 -19.3423 -19.3370 -17.8863 -17.8863 -7.6163 -7.6159 -4.9216 -4.9168 -4.4931 -4.4927 -4.0911 -4.0849 -0.3216 -0.3193 1.0686 1.0710 2.1140 2.1142 4.8249 4.8268 10.6237 10.6244 12.2317 12.2348 12.5118 12.5171 k =-0.2625 0.2265 0.5255 ( 3325 PWs) bands (ev): -47.4745 -47.4745 -22.5847 -22.5844 -19.5356 -19.5292 -19.3659 -19.3652 -19.3427 -19.3373 -17.8873 -17.8873 -7.6225 -7.6221 -4.9204 -4.9157 -4.4887 -4.4883 -4.0941 -4.0880 -0.3153 -0.3130 1.0777 1.0801 2.1179 2.1182 4.8357 4.8376 10.6839 10.6848 12.1956 12.1985 12.4568 12.4620 k =-0.2681 0.2313 0.5366 ( 3329 PWs) bands (ev): -47.4745 -47.4745 -22.5837 -22.5834 -19.5360 -19.5297 -19.3664 -19.3659 -19.3431 -19.3375 -17.8883 -17.8883 -7.6291 -7.6286 -4.9178 -4.9132 -4.4845 -4.4841 -4.0973 -4.0914 -0.3079 -0.3055 1.0867 1.0892 2.1214 2.1218 4.8479 4.8499 10.7411 10.7422 12.1578 12.1604 12.4052 12.4102 k =-0.2737 0.2361 0.5478 ( 3325 PWs) bands (ev): -47.4745 -47.4745 -22.5827 -22.5825 -19.5364 -19.5301 -19.3668 -19.3665 -19.3435 -19.3378 -17.8891 -17.8891 -7.6358 -7.6354 -4.9139 -4.9095 -4.4804 -4.4799 -4.1008 -4.0950 -0.2994 -0.2970 1.0957 1.0982 2.1246 2.1250 4.8616 4.8635 10.7949 10.7963 12.1181 12.1203 12.3573 12.3620 k =-0.2793 0.2409 0.5590 ( 3321 PWs) bands (ev): -47.4745 -47.4745 -22.5819 -22.5816 -19.5368 -19.5306 -19.3673 -19.3672 -19.3439 -19.3380 -17.8899 -17.8899 -7.6429 -7.6424 -4.9087 -4.9044 -4.4764 -4.4760 -4.1045 -4.0988 -0.2900 -0.2875 1.1046 1.1071 2.1273 2.1278 4.8766 4.8785 10.8450 10.8467 12.0760 12.0777 12.3135 12.3179 k =-0.2849 0.2457 0.5702 ( 3325 PWs) bands (ev): -47.4745 -47.4745 -22.5811 -22.5808 -19.5373 -19.5311 -19.3680 -19.3678 -19.3443 -19.3382 -17.8907 -17.8907 -7.6501 -7.6496 -4.9023 -4.8981 -4.4726 -4.4721 -4.1083 -4.1028 -0.2795 -0.2771 1.1134 1.1159 2.1296 2.1302 4.8929 4.8948 10.8911 10.8929 12.0315 12.0327 12.2738 12.2778 k =-0.2905 0.2506 0.5814 ( 3329 PWs) bands (ev): -47.4745 -47.4745 -22.5804 -22.5801 -19.5377 -19.5317 -19.3689 -19.3684 -19.3447 -19.3385 -17.8914 -17.8914 -7.6576 -7.6570 -4.8947 -4.8906 -4.4689 -4.4684 -4.1124 -4.1070 -0.2682 -0.2657 1.1220 1.1246 2.1317 2.1323 4.9105 4.9124 10.9326 10.9348 11.9848 11.9853 12.2380 12.2415 k =-0.2961 0.2554 0.5925 ( 3331 PWs) bands (ev): -47.4746 -47.4746 -22.5798 -22.5795 -19.5382 -19.5322 -19.3697 -19.3689 -19.3451 -19.3387 -17.8920 -17.8920 -7.6653 -7.6647 -4.8858 -4.8818 -4.4654 -4.4649 -4.1167 -4.1115 -0.2559 -0.2534 1.1306 1.1332 2.1333 2.1340 4.9293 4.9311 10.9695 10.9719 11.9360 11.9360 12.2056 12.2086 k =-0.3016 0.2602 0.6037 ( 3323 PWs) bands (ev): -47.4746 -47.4746 -22.5792 -22.5789 -19.5386 -19.5328 -19.3705 -19.3695 -19.3454 -19.3389 -17.8925 -17.8925 -7.6731 -7.6725 -4.8758 -4.8719 -4.4620 -4.4615 -4.1212 -4.1160 -0.2428 -0.2402 1.1390 1.1416 2.1346 2.1354 4.9493 4.9511 11.0014 11.0039 11.8850 11.8855 12.1760 12.1786 k =-0.3072 0.2650 0.6149 ( 3331 PWs) bands (ev): -47.4746 -47.4746 -22.5787 -22.5785 -19.5392 -19.5335 -19.3714 -19.3702 -19.3458 -19.3391 -17.8931 -17.8931 -7.6811 -7.6805 -4.8647 -4.8608 -4.4587 -4.4583 -4.1259 -4.1208 -0.2288 -0.2262 1.1473 1.1499 2.1356 2.1364 4.9704 4.9722 11.0280 11.0308 11.8329 11.8338 12.1487 12.1510 k =-0.3128 0.2698 0.6261 ( 3335 PWs) bands (ev): -47.4746 -47.4746 -22.5783 -22.5781 -19.5397 -19.5341 -19.3723 -19.3708 -19.3461 -19.3393 -17.8935 -17.8935 -7.6893 -7.6887 -4.8525 -4.8487 -4.4556 -4.4551 -4.1307 -4.1257 -0.2141 -0.2114 1.1554 1.1580 2.1363 2.1372 4.9925 4.9943 11.0493 11.0523 11.7797 11.7810 12.1232 12.1252 k =-0.3184 0.2747 0.6373 ( 3331 PWs) bands (ev): -47.4747 -47.4747 -22.5780 -22.5777 -19.5402 -19.5348 -19.3733 -19.3715 -19.3463 -19.3394 -17.8939 -17.8939 -7.6976 -7.6969 -4.8393 -4.8356 -4.4527 -4.4522 -4.1356 -4.1308 -0.1985 -0.1959 1.1634 1.1660 2.1368 2.1377 5.0157 5.0174 11.0652 11.0684 11.7259 11.7274 12.0990 12.1007 k =-0.3240 0.2795 0.6484 ( 3335 PWs) bands (ev): -47.4747 -47.4747 -22.5777 -22.5774 -19.5408 -19.5355 -19.3742 -19.3722 -19.3465 -19.3396 -17.8942 -17.8942 -7.7059 -7.7053 -4.8251 -4.8215 -4.4498 -4.4494 -4.1407 -4.1360 -0.1824 -0.1797 1.1711 1.1738 2.1369 2.1378 5.0397 5.0415 11.0758 11.0790 11.6714 11.6731 12.0757 12.0772 k =-0.3296 0.2843 0.6596 ( 3331 PWs) bands (ev): -47.4747 -47.4747 -22.5775 -22.5772 -19.5413 -19.5363 -19.3751 -19.3730 -19.3466 -19.3397 -17.8945 -17.8945 -7.7144 -7.7137 -4.8101 -4.8066 -4.4471 -4.4466 -4.1459 -4.1413 -0.1655 -0.1629 1.1787 1.1814 2.1368 2.1378 5.0646 5.0663 11.0811 11.0845 11.6162 11.6181 12.0530 12.0543 k =-0.3352 0.2891 0.6708 ( 3335 PWs) bands (ev): -47.4748 -47.4748 -22.5773 -22.5771 -19.5420 -19.5370 -19.3761 -19.3738 -19.3467 -19.3398 -17.8947 -17.8947 -7.7228 -7.7222 -4.7942 -4.7908 -4.4446 -4.4441 -4.1512 -4.1467 -0.1482 -0.1455 1.1861 1.1888 2.1364 2.1374 5.0902 5.0919 11.0815 11.0849 11.5604 11.5624 12.0308 12.0319 k =-0.3407 0.2939 0.6820 ( 3325 PWs) bands (ev): -47.4748 -47.4748 -22.5772 -22.5770 -19.5425 -19.5378 -19.3770 -19.3745 -19.3467 -19.3398 -17.8949 -17.8949 -7.7313 -7.7307 -4.7776 -4.7742 -4.4421 -4.4416 -4.1565 -4.1521 -0.1303 -0.1276 1.1933 1.1960 2.1359 2.1369 5.1165 5.1182 11.0772 11.0806 11.5039 11.5060 12.0088 12.0097 k =-0.3463 0.2987 0.6931 ( 3321 PWs) bands (ev): -47.4748 -47.4748 -22.5772 -22.5769 -19.5432 -19.5386 -19.3779 -19.3753 -19.3467 -19.3398 -17.8951 -17.8951 -7.7399 -7.7392 -4.7603 -4.7570 -4.4399 -4.4394 -4.1619 -4.1577 -0.1119 -0.1092 1.2003 1.2030 2.1351 2.1361 5.1434 5.1450 11.0685 11.0719 11.4466 11.4487 11.9871 11.9879 k =-0.3519 0.3036 0.7043 ( 3309 PWs) bands (ev): -47.4748 -47.4748 -22.5772 -22.5770 -19.5438 -19.5394 -19.3788 -19.3761 -19.3466 -19.3398 -17.8952 -17.8952 -7.7483 -7.7477 -4.7424 -4.7392 -4.4377 -4.4372 -4.1674 -4.1632 -0.0931 -0.0904 1.2071 1.2097 2.1341 2.1351 5.1708 5.1723 11.0560 11.0592 11.3885 11.3905 11.9657 11.9663 k =-0.3519 0.3036 0.7043 ( 3309 PWs) bands (ev): -47.4748 -47.4748 -22.5772 -22.5770 -19.5438 -19.5394 -19.3788 -19.3761 -19.3466 -19.3398 -17.8952 -17.8952 -7.7483 -7.7477 -4.7424 -4.7392 -4.4377 -4.4372 -4.1674 -4.1632 -0.0931 -0.0904 1.2071 1.2097 2.1341 2.1351 5.1708 5.1723 11.0560 11.0592 11.3885 11.3905 11.9657 11.9663 k =-0.3440 0.2967 0.7113 ( 3314 PWs) bands (ev): -47.4749 -47.4749 -22.5772 -22.5770 -19.5438 -19.5394 -19.3789 -19.3761 -19.3466 -19.3398 -17.8952 -17.8951 -7.7478 -7.7472 -4.7423 -4.7391 -4.4382 -4.4377 -4.1671 -4.1629 -0.0936 -0.0909 1.2057 1.2084 2.1346 2.1358 5.1709 5.1725 11.0536 11.0568 11.3898 11.3918 11.9664 11.9670 k =-0.3360 0.2898 0.7182 ( 3320 PWs) bands (ev): -47.4749 -47.4749 -22.5773 -22.5770 -19.5439 -19.5395 -19.3790 -19.3762 -19.3466 -19.3398 -17.8952 -17.8951 -7.7464 -7.7458 -4.7422 -4.7390 -4.4399 -4.4392 -4.1661 -4.1619 -0.0952 -0.0925 1.2015 1.2043 2.1360 2.1377 5.1714 5.1729 11.0465 11.0497 11.3937 11.3957 11.9684 11.9691 k =-0.3360 0.2898 0.7182 ( 3320 PWs) bands (ev): -47.4749 -47.4749 -22.5773 -22.5770 -19.5439 -19.5395 -19.3790 -19.3762 -19.3466 -19.3398 -17.8952 -17.8951 -7.7464 -7.7458 -4.7422 -4.7390 -4.4399 -4.4392 -4.1661 -4.1619 -0.0952 -0.0925 1.2015 1.2043 2.1360 2.1377 5.1714 5.1729 11.0465 11.0497 11.3937 11.3957 11.9684 11.9691 k =-0.3258 0.2810 0.7182 ( 3320 PWs) bands (ev): -47.4748 -47.4748 -22.5773 -22.5770 -19.5436 -19.5390 -19.3785 -19.3758 -19.3466 -19.3397 -17.8951 -17.8949 -7.7397 -7.7391 -4.7519 -4.7488 -4.4433 -4.4425 -4.1617 -4.1574 -0.1078 -0.1051 1.1920 1.1950 2.1387 2.1408 5.1570 5.1586 11.0449 11.0480 11.4319 11.4339 11.9831 11.9840 k =-0.3156 0.2723 0.7182 ( 3318 PWs) bands (ev): -47.4748 -47.4748 -22.5773 -22.5771 -19.5433 -19.5386 -19.3781 -19.3754 -19.3466 -19.3397 -17.8948 -17.8947 -7.7323 -7.7316 -4.7615 -4.7583 -4.4474 -4.4464 -4.1569 -4.1526 -0.1212 -0.1184 1.1807 1.1840 2.1420 2.1445 5.1431 5.1447 11.0404 11.0434 11.4719 11.4739 11.9989 12.0000 k =-0.3054 0.2635 0.7182 ( 3320 PWs) bands (ev): -47.4748 -47.4748 -22.5774 -22.5771 -19.5431 -19.5384 -19.3778 -19.3751 -19.3466 -19.3396 -17.8945 -17.8943 -7.7242 -7.7236 -4.7709 -4.7677 -4.4522 -4.4510 -4.1518 -4.1474 -0.1352 -0.1324 1.1677 1.1712 2.1458 2.1488 5.1297 5.1313 11.0337 11.0366 11.5136 11.5156 12.0158 12.0171 k =-0.2953 0.2547 0.7182 ( 3318 PWs) bands (ev): -47.4748 -47.4748 -22.5774 -22.5772 -19.5429 -19.5381 -19.3775 -19.3749 -19.3465 -19.3395 -17.8941 -17.8939 -7.7155 -7.7148 -4.7800 -4.7769 -4.4574 -4.4561 -4.1464 -4.1419 -0.1499 -0.1471 1.1532 1.1570 2.1502 2.1534 5.1169 5.1185 11.0254 11.0282 11.5567 11.5587 12.0337 12.0351 k =-0.2851 0.2459 0.7182 ( 3310 PWs) bands (ev): -47.4747 -47.4747 -22.5775 -22.5772 -19.5427 -19.5379 -19.3773 -19.3747 -19.3464 -19.3394 -17.8936 -17.8933 -7.7062 -7.7055 -4.7890 -4.7859 -4.4631 -4.4617 -4.1408 -4.1362 -0.1652 -0.1623 1.1376 1.1415 2.1549 2.1584 5.1048 5.1063 11.0161 11.0188 11.6008 11.6029 12.0525 12.0542 k =-0.2749 0.2371 0.7182 ( 3310 PWs) bands (ev): -47.4747 -47.4747 -22.5775 -22.5773 -19.5426 -19.5379 -19.3772 -19.3746 -19.3463 -19.3393 -17.8929 -17.8926 -7.6963 -7.6957 -4.7979 -4.7948 -4.4691 -4.4676 -4.1350 -4.1304 -0.1810 -0.1781 1.1208 1.1250 2.1598 2.1636 5.0932 5.0948 11.0062 11.0088 11.6458 11.6479 12.0722 12.0740 k =-0.2647 0.2283 0.7182 ( 3307 PWs) bands (ev): -47.4747 -47.4747 -22.5776 -22.5773 -19.5426 -19.5379 -19.3772 -19.3746 -19.3462 -19.3392 -17.8921 -17.8918 -7.6860 -7.6854 -4.8067 -4.8037 -4.4753 -4.4737 -4.1290 -4.1245 -0.1973 -0.1943 1.1031 1.1074 2.1650 2.1690 5.0823 5.0839 10.9960 10.9985 11.6911 11.6933 12.0926 12.0946 k =-0.2545 0.2196 0.7182 ( 3313 PWs) bands (ev): -47.4747 -47.4747 -22.5776 -22.5774 -19.5427 -19.5381 -19.3773 -19.3748 -19.3460 -19.3391 -17.8911 -17.8908 -7.6752 -7.6747 -4.8154 -4.8125 -4.4817 -4.4800 -4.1231 -4.1185 -0.2140 -0.2110 1.0847 1.0891 2.1703 2.1744 5.0720 5.0736 10.9858 10.9881 11.7365 11.7387 12.1137 12.1158 k =-0.2444 0.2108 0.7182 ( 3312 PWs) bands (ev): -47.4747 -47.4747 -22.5776 -22.5774 -19.5428 -19.5383 -19.3775 -19.3750 -19.3459 -19.3390 -17.8900 -17.8896 -7.6641 -7.6636 -4.8241 -4.8213 -4.4881 -4.4863 -4.1170 -4.1124 -0.2311 -0.2280 1.0657 1.0703 2.1757 2.1799 5.0625 5.0640 10.9757 10.9779 11.7816 11.7840 12.1354 12.1376 k =-0.2342 0.2020 0.7182 ( 3312 PWs) bands (ev): -47.4747 -47.4747 -22.5777 -22.5774 -19.5429 -19.5386 -19.3778 -19.3753 -19.3457 -19.3390 -17.8887 -17.8884 -7.6526 -7.6521 -4.8329 -4.8301 -4.4944 -4.4925 -4.1111 -4.1065 -0.2483 -0.2452 1.0463 1.0509 2.1811 2.1854 5.0536 5.0551 10.9659 10.9680 11.8262 11.8287 12.1575 12.1597 k =-0.2240 0.1932 0.7182 ( 3310 PWs) bands (ev): -47.4746 -47.4746 -22.5776 -22.5774 -19.5432 -19.5390 -19.3782 -19.3757 -19.3454 -19.3389 -17.8872 -17.8869 -7.6409 -7.6404 -4.8416 -4.8389 -4.5005 -4.4986 -4.1052 -4.1006 -0.2657 -0.2626 1.0266 1.0312 2.1865 2.1907 5.0453 5.0468 10.9565 10.9585 11.8699 11.8725 12.1799 12.1822 k =-0.2138 0.1844 0.7182 ( 3314 PWs) bands (ev): -47.4746 -47.4746 -22.5776 -22.5774 -19.5435 -19.5395 -19.3787 -19.3762 -19.3452 -19.3389 -17.8857 -17.8853 -7.6290 -7.6285 -4.8505 -4.8479 -4.5064 -4.5044 -4.0994 -4.0948 -0.2831 -0.2800 1.0067 1.0113 2.1917 2.1960 5.0378 5.0392 10.9476 10.9495 11.9125 11.9153 12.2027 12.2049 k =-0.2036 0.1757 0.7182 ( 3317 PWs) bands (ev): -47.4746 -47.4746 -22.5776 -22.5774 -19.5439 -19.5401 -19.3793 -19.3768 -19.3450 -19.3389 -17.8840 -17.8836 -7.6170 -7.6165 -4.8594 -4.8569 -4.5119 -4.5099 -4.0938 -4.0893 -0.3004 -0.2973 0.9867 0.9913 2.1969 2.2011 5.0309 5.0323 10.9392 10.9410 11.9535 11.9565 12.2257 12.2279 k =-0.1934 0.1669 0.7182 ( 3313 PWs) bands (ev): -47.4746 -47.4746 -22.5775 -22.5773 -19.5443 -19.5407 -19.3798 -19.3774 -19.3447 -19.3389 -17.8822 -17.8818 -7.6048 -7.6044 -4.8684 -4.8661 -4.5170 -4.5149 -4.0883 -4.0839 -0.3175 -0.3145 0.9668 0.9713 2.2019 2.2061 5.0247 5.0260 10.9312 10.9329 11.9928 11.9960 12.2489 12.2511 k =-0.1833 0.1581 0.7182 ( 3307 PWs) bands (ev): -47.4746 -47.4746 -22.5775 -22.5773 -19.5448 -19.5414 -19.3805 -19.3781 -19.3445 -19.3389 -17.8803 -17.8799 -7.5927 -7.5923 -4.8776 -4.8753 -4.5216 -4.5194 -4.0831 -4.0788 -0.3343 -0.3313 0.9470 0.9515 2.2068 2.2108 5.0190 5.0204 10.9239 10.9255 12.0299 12.0334 12.2725 12.2746 k =-0.1731 0.1493 0.7182 ( 3311 PWs) bands (ev): -47.4746 -47.4746 -22.5774 -22.5772 -19.5454 -19.5422 -19.3812 -19.3789 -19.3442 -19.3389 -17.8783 -17.8780 -7.5807 -7.5803 -4.8868 -4.8847 -4.5256 -4.5235 -4.0782 -4.0739 -0.3508 -0.3478 0.9275 0.9319 2.2114 2.2154 5.0140 5.0153 10.9170 10.9185 12.0645 12.0683 12.2967 12.2986 k =-0.1629 0.1405 0.7182 ( 3316 PWs) bands (ev): -47.4746 -47.4746 -22.5773 -22.5771 -19.5460 -19.5430 -19.3820 -19.3798 -19.3440 -19.3390 -17.8763 -17.8759 -7.5688 -7.5685 -4.8961 -4.8941 -4.5292 -4.5270 -4.0735 -4.0694 -0.3667 -0.3638 0.9084 0.9127 2.2159 2.2197 5.0095 5.0107 10.9107 10.9121 12.0964 12.1004 12.3214 12.3234 k =-0.1527 0.1317 0.7182 ( 3318 PWs) bands (ev): -47.4746 -47.4746 -22.5772 -22.5770 -19.5466 -19.5439 -19.3828 -19.3807 -19.3438 -19.3391 -17.8742 -17.8738 -7.5572 -7.5569 -4.9054 -4.9035 -4.5321 -4.5300 -4.0692 -4.0652 -0.3821 -0.3792 0.8898 0.8940 2.2201 2.2237 5.0055 5.0067 10.9049 10.9062 12.1251 12.1294 12.3471 12.3490 k =-0.1425 0.1230 0.7182 ( 3320 PWs) bands (ev): -47.4746 -47.4746 -22.5770 -22.5769 -19.5473 -19.5448 -19.3835 -19.3815 -19.3435 -19.3391 -17.8721 -17.8718 -7.5458 -7.5455 -4.9146 -4.9129 -4.5346 -4.5324 -4.0651 -4.0613 -0.3968 -0.3940 0.8718 0.8758 2.2241 2.2276 5.0021 5.0032 10.8996 10.9008 12.1507 12.1552 12.3736 12.3755 k =-0.1324 0.1142 0.7182 ( 3320 PWs) bands (ev): -47.4746 -47.4746 -22.5769 -22.5768 -19.5480 -19.5457 -19.3843 -19.3824 -19.3433 -19.3392 -17.8700 -17.8697 -7.5349 -7.5346 -4.9238 -4.9222 -4.5364 -4.5343 -4.0614 -4.0577 -0.4107 -0.4081 0.8545 0.8583 2.2279 2.2312 4.9991 5.0001 10.8948 10.8959 12.1730 12.1776 12.4010 12.4029 k =-0.1222 0.1054 0.7182 ( 3324 PWs) bands (ev): -47.4746 -47.4746 -22.5768 -22.5766 -19.5487 -19.5466 -19.3851 -19.3833 -19.3431 -19.3393 -17.8680 -17.8676 -7.5243 -7.5241 -4.9327 -4.9313 -4.5378 -4.5358 -4.0581 -4.0546 -0.4239 -0.4214 0.8380 0.8416 2.2314 2.2345 4.9965 4.9975 10.8904 10.8915 12.1922 12.1967 12.4292 12.4311 k =-0.1120 0.0966 0.7182 ( 3324 PWs) bands (ev): -47.4745 -47.4745 -22.5766 -22.5765 -19.5494 -19.5475 -19.3858 -19.3842 -19.3429 -19.3394 -17.8659 -17.8656 -7.5143 -7.5141 -4.9414 -4.9401 -4.5387 -4.5367 -4.0550 -4.0517 -0.4361 -0.4338 0.8224 0.8258 2.2347 2.2375 4.9943 4.9952 10.8865 10.8875 12.2084 12.2128 12.4577 12.4595 k =-0.1018 0.0878 0.7182 ( 3328 PWs) bands (ev): -47.4745 -47.4745 -22.5765 -22.5764 -19.5501 -19.5484 -19.3866 -19.3851 -19.3427 -19.3396 -17.8640 -17.8637 -7.5049 -7.5047 -4.9498 -4.9486 -4.5392 -4.5374 -4.0523 -4.0493 -0.4475 -0.4453 0.8078 0.8109 2.2377 2.2403 4.9924 4.9933 10.8830 10.8839 12.2220 12.2262 12.4861 12.4879 k =-0.0916 0.0790 0.7182 ( 3330 PWs) bands (ev): -47.4745 -47.4745 -22.5764 -22.5763 -19.5507 -19.5492 -19.3872 -19.3859 -19.3425 -19.3397 -17.8622 -17.8619 -7.4962 -7.4960 -4.9576 -4.9566 -4.5394 -4.5377 -4.0499 -4.0471 -0.4578 -0.4558 0.7942 0.7971 2.2405 2.2428 4.9909 4.9917 10.8800 10.8807 12.2334 12.2372 12.5141 12.5158 k =-0.0815 0.0703 0.7182 ( 3329 PWs) bands (ev): -47.4745 -47.4745 -22.5762 -22.5761 -19.5513 -19.5500 -19.3878 -19.3866 -19.3423 -19.3398 -17.8605 -17.8603 -7.4881 -7.4880 -4.9650 -4.9640 -4.5393 -4.5377 -4.0479 -4.0453 -0.4671 -0.4653 0.7819 0.7845 2.2429 2.2451 4.9897 4.9904 10.8772 10.8779 12.2427 12.2462 12.5410 12.5425 k =-0.0713 0.0615 0.7182 ( 3328 PWs) bands (ev): -47.4745 -47.4745 -22.5761 -22.5760 -19.5519 -19.5508 -19.3884 -19.3873 -19.3421 -19.3399 -17.8590 -17.8587 -7.4809 -7.4807 -4.9717 -4.9709 -4.5390 -4.5376 -4.0460 -4.0438 -0.4754 -0.4737 0.7708 0.7731 2.2452 2.2470 4.9886 4.9892 10.8749 10.8755 12.2504 12.2535 12.5663 12.5677 k =-0.0611 0.0527 0.7182 ( 3328 PWs) bands (ev): -47.4745 -47.4745 -22.5760 -22.5759 -19.5524 -19.5514 -19.3889 -19.3879 -19.3419 -19.3401 -17.8576 -17.8574 -7.4745 -7.4743 -4.9777 -4.9770 -4.5386 -4.5373 -4.0445 -4.0425 -0.4826 -0.4811 0.7610 0.7630 2.2471 2.2487 4.9878 4.9883 10.8729 10.8734 12.2565 12.2593 12.5896 12.5908 k =-0.0509 0.0439 0.7182 ( 3324 PWs) bands (ev): -47.4745 -47.4745 -22.5759 -22.5758 -19.5528 -19.5520 -19.3893 -19.3885 -19.3417 -19.3402 -17.8564 -17.8562 -7.4689 -7.4688 -4.9829 -4.9823 -4.5381 -4.5370 -4.0432 -4.0415 -0.4886 -0.4874 0.7526 0.7543 2.2488 2.2502 4.9872 4.9876 10.8713 10.8717 12.2615 12.2638 12.6103 12.6113 k =-0.0407 0.0351 0.7182 ( 3324 PWs) bands (ev): -47.4745 -47.4745 -22.5758 -22.5758 -19.5532 -19.5525 -19.3896 -19.3889 -19.3415 -19.3403 -17.8553 -17.8552 -7.4644 -7.4643 -4.9872 -4.9867 -4.5376 -4.5367 -4.0422 -4.0408 -0.4936 -0.4926 0.7457 0.7471 2.2502 2.2513 4.9867 4.9871 10.8699 10.8703 12.2653 12.2672 12.6280 12.6288 k =-0.0305 0.0263 0.7182 ( 3326 PWs) bands (ev): -47.4745 -47.4745 -22.5757 -22.5757 -19.5534 -19.5530 -19.3898 -19.3893 -19.3414 -19.3405 -17.8545 -17.8544 -7.4608 -7.4607 -4.9906 -4.9903 -4.5371 -4.5364 -4.0413 -4.0403 -0.4975 -0.4967 0.7404 0.7414 2.2513 2.2521 4.9864 4.9867 10.8689 10.8692 12.2683 12.2697 12.6422 12.6429 k =-0.0204 0.0176 0.7182 ( 3330 PWs) bands (ev): -47.4745 -47.4745 -22.5757 -22.5757 -19.5536 -19.5533 -19.3900 -19.3897 -19.3412 -19.3406 -17.8540 -17.8539 -7.4582 -7.4581 -4.9931 -4.9929 -4.5367 -4.5362 -4.0407 -4.0400 -0.5002 -0.4997 0.7365 0.7372 2.2521 2.2527 4.9862 4.9863 10.8682 10.8684 12.2703 12.2713 12.6527 12.6532 k =-0.0102 0.0088 0.7182 ( 3330 PWs) bands (ev): -47.4745 -47.4745 -22.5756 -22.5756 -19.5537 -19.5536 -19.3900 -19.3899 -19.3411 -19.3408 -17.8536 -17.8536 -7.4566 -7.4566 -4.9946 -4.9944 -4.5364 -4.5361 -4.0403 -4.0399 -0.5018 -0.5016 0.7343 0.7346 2.2527 2.2530 4.9860 4.9861 10.8678 10.8679 12.2716 12.2721 12.6592 12.6594 k = 0.0000 0.0000 0.7182 ( 3334 PWs) bands (ev): -47.4745 -47.4745 -22.5756 -22.5756 -19.5537 -19.5537 -19.3900 -19.3900 -19.3409 -19.3409 -17.8535 -17.8535 -7.4561 -7.4561 -4.9950 -4.9950 -4.5362 -4.5362 -4.0400 -4.0400 -0.5023 -0.5023 0.7337 0.7337 2.2530 2.2530 4.9860 4.9860 10.8677 10.8677 12.2722 12.2722 12.6614 12.6614 k = 0.0000 0.0000 0.7182 ( 3334 PWs) bands (ev): -47.4745 -47.4745 -22.5756 -22.5756 -19.5537 -19.5537 -19.3900 -19.3900 -19.3409 -19.3409 -17.8535 -17.8535 -7.4561 -7.4561 -4.9950 -4.9950 -4.5362 -4.5362 -4.0400 -4.0400 -0.5023 -0.5023 0.7337 0.7337 2.2530 2.2530 4.9860 4.9860 10.8677 10.8677 12.2722 12.2722 12.6614 12.6614 k = 0.0086 0.0100 0.7182 ( 3330 PWs) bands (ev): -47.4745 -47.4745 -22.5756 -22.5756 -19.5540 -19.5534 -19.3904 -19.3896 -19.3409 -19.3408 -17.8535 -17.8534 -7.4561 -7.4561 -4.9953 -4.9951 -4.5362 -4.5359 -4.0402 -4.0401 -0.5020 -0.5019 0.7337 0.7337 2.2530 2.2530 4.9859 4.9862 10.8685 10.8687 12.2722 12.2724 12.6594 12.6599 k = 0.0172 0.0200 0.7182 ( 3322 PWs) bands (ev): -47.4745 -47.4745 -22.5757 -22.5757 -19.5542 -19.5530 -19.3907 -19.3892 -19.3409 -19.3407 -17.8536 -17.8534 -7.4563 -7.4563 -4.9958 -4.9954 -4.5358 -4.5353 -4.0407 -4.0405 -0.5012 -0.5010 0.7337 0.7339 2.2532 2.2532 4.9857 4.9863 10.8710 10.8714 12.2724 12.2728 12.6538 12.6548 k = 0.0259 0.0300 0.7182 ( 3324 PWs) bands (ev): -47.4745 -47.4745 -22.5758 -22.5758 -19.5544 -19.5527 -19.3911 -19.3888 -19.3408 -19.3405 -17.8536 -17.8534 -7.4567 -7.4566 -4.9966 -4.9961 -4.5352 -4.5344 -4.0414 -4.0411 -0.4999 -0.4995 0.7339 0.7340 2.2535 2.2535 4.9856 4.9863 10.8752 10.8759 12.2727 12.2733 12.6447 12.6462 k = 0.0345 0.0400 0.7182 ( 3322 PWs) bands (ev): -47.4745 -47.4745 -22.5759 -22.5759 -19.5547 -19.5523 -19.3914 -19.3883 -19.3407 -19.3403 -17.8537 -17.8534 -7.4571 -7.4571 -4.9977 -4.9970 -4.5343 -4.5333 -4.0425 -4.0421 -0.4980 -0.4975 0.7340 0.7342 2.2539 2.2539 4.9853 4.9863 10.8811 10.8820 12.2732 12.2741 12.6323 12.6342 k = 0.0431 0.0500 0.7182 ( 3322 PWs) bands (ev): -47.4745 -47.4745 -22.5760 -22.5760 -19.5548 -19.5519 -19.3918 -19.3879 -19.3406 -19.3400 -17.8538 -17.8534 -7.4577 -7.4576 -4.9991 -4.9982 -4.5331 -4.5319 -4.0438 -4.0433 -0.4957 -0.4950 0.7342 0.7345 2.2544 2.2544 4.9851 4.9863 10.8887 10.8899 12.2739 12.2749 12.6166 12.6190 k = 0.0517 0.0600 0.7182 ( 3322 PWs) bands (ev): -47.4745 -47.4745 -22.5762 -22.5762 -19.5550 -19.5515 -19.3921 -19.3874 -19.3404 -19.3397 -17.8539 -17.8534 -7.4584 -7.4583 -5.0007 -4.9996 -4.5317 -4.5302 -4.0453 -4.0447 -0.4928 -0.4920 0.7345 0.7348 2.2550 2.2550 4.9848 4.9863 10.8980 10.8994 12.2747 12.2759 12.5978 12.6007 k = 0.0603 0.0700 0.7182 ( 3322 PWs) bands (ev): -47.4745 -47.4745 -22.5764 -22.5764 -19.5552 -19.5511 -19.3924 -19.3870 -19.3402 -19.3394 -17.8540 -17.8534 -7.4592 -7.4591 -5.0026 -5.0013 -4.5301 -4.5283 -4.0471 -4.0464 -0.4895 -0.4886 0.7348 0.7352 2.2557 2.2557 4.9846 4.9863 10.9090 10.9105 12.2757 12.2771 12.5762 12.5794 k = 0.0690 0.0800 0.7182 ( 3320 PWs) bands (ev): -47.4745 -47.4745 -22.5767 -22.5767 -19.5553 -19.5507 -19.3927 -19.3865 -19.3399 -19.3390 -17.8541 -17.8535 -7.4601 -7.4600 -5.0046 -5.0032 -4.5283 -4.5263 -4.0491 -4.0483 -0.4858 -0.4847 0.7352 0.7356 2.2565 2.2565 4.9843 4.9862 10.9215 10.9233 12.2768 12.2784 12.5519 12.5555 k = 0.0776 0.0899 0.7182 ( 3330 PWs) bands (ev): -47.4745 -47.4745 -22.5769 -22.5769 -19.5554 -19.5503 -19.3930 -19.3861 -19.3397 -19.3386 -17.8542 -17.8535 -7.4611 -7.4610 -5.0068 -5.0053 -4.5262 -4.5241 -4.0512 -4.0504 -0.4817 -0.4806 0.7355 0.7360 2.2573 2.2574 4.9840 4.9861 10.9356 10.9376 12.2781 12.2798 12.5252 12.5292 k = 0.0862 0.0999 0.7182 ( 3326 PWs) bands (ev): -47.4745 -47.4745 -22.5772 -22.5772 -19.5555 -19.5498 -19.3932 -19.3857 -19.3394 -19.3382 -17.8543 -17.8536 -7.4622 -7.4620 -5.0092 -5.0075 -4.5241 -4.5217 -4.0535 -4.0526 -0.4773 -0.4761 0.7360 0.7365 2.2583 2.2583 4.9836 4.9860 10.9513 10.9534 12.2794 12.2814 12.4963 12.5006 k = 0.0948 0.1099 0.7182 ( 3324 PWs) bands (ev): -47.4745 -47.4745 -22.5775 -22.5775 -19.5556 -19.5494 -19.3934 -19.3852 -19.3390 -19.3377 -17.8544 -17.8536 -7.4633 -7.4631 -5.0116 -5.0098 -4.5218 -4.5192 -4.0559 -4.0549 -0.4727 -0.4713 0.7364 0.7370 2.2593 2.2593 4.9833 4.9859 10.9683 10.9707 12.2809 12.2830 12.4655 12.4701 k = 0.1034 0.1199 0.7182 ( 3328 PWs) bands (ev): -47.4745 -47.4745 -22.5778 -22.5778 -19.5556 -19.5490 -19.3937 -19.3848 -19.3387 -19.3373 -17.8546 -17.8537 -7.4645 -7.4643 -5.0141 -5.0122 -4.5194 -4.5167 -4.0585 -4.0574 -0.4679 -0.4664 0.7369 0.7375 2.2603 2.2604 4.9830 4.9858 10.9868 10.9894 12.2824 12.2847 12.4329 12.4378 k = 0.1121 0.1299 0.7182 ( 3332 PWs) bands (ev): -47.4745 -47.4745 -22.5781 -22.5781 -19.5557 -19.5486 -19.3939 -19.3844 -19.3383 -19.3368 -17.8547 -17.8538 -7.4657 -7.4655 -5.0167 -5.0146 -4.5170 -4.5141 -4.0611 -4.0599 -0.4630 -0.4614 0.7374 0.7380 2.2614 2.2614 4.9826 4.9856 11.0066 11.0093 12.2840 12.2865 12.3990 12.4041 k = 0.1207 0.1399 0.7182 ( 3328 PWs) bands (ev): -47.4745 -47.4745 -22.5784 -22.5784 -19.5557 -19.5481 -19.3941 -19.3840 -19.3379 -19.3362 -17.8548 -17.8538 -7.4669 -7.4667 -5.0193 -5.0171 -4.5146 -4.5115 -4.0637 -4.0624 -0.4579 -0.4562 0.7379 0.7386 2.2626 2.2626 4.9823 4.9855 11.0275 11.0305 12.2857 12.2883 12.3639 12.3693 k = 0.1293 0.1499 0.7182 ( 3324 PWs) bands (ev): -47.4745 -47.4745 -22.5787 -22.5787 -19.5557 -19.5477 -19.3943 -19.3836 -19.3374 -19.3357 -17.8549 -17.8539 -7.4681 -7.4679 -5.0218 -5.0196 -4.5121 -4.5089 -4.0663 -4.0650 -0.4529 -0.4511 0.7384 0.7392 2.2637 2.2637 4.9819 4.9853 11.0496 11.0527 12.2874 12.2901 12.3280 12.3335 k = 0.1379 0.1599 0.7182 ( 3314 PWs) bands (ev): -47.4745 -47.4745 -22.5790 -22.5790 -19.5557 -19.5473 -19.3945 -19.3831 -19.3370 -19.3351 -17.8551 -17.8540 -7.4694 -7.4691 -5.0243 -5.0220 -4.5097 -4.5063 -4.0688 -4.0675 -0.4478 -0.4460 0.7389 0.7397 2.2649 2.2649 4.9816 4.9852 11.0727 11.0759 12.2888 12.2917 12.2919 12.2971 k = 0.1466 0.1699 0.7182 ( 3312 PWs) bands (ev): -47.4745 -47.4745 -22.5793 -22.5793 -19.5557 -19.5469 -19.3946 -19.3828 -19.3366 -19.3347 -17.8552 -17.8540 -7.4706 -7.4703 -5.0268 -5.0243 -4.5073 -4.5039 -4.0714 -4.0700 -0.4429 -0.4410 0.7394 0.7403 2.2660 2.2660 4.9813 4.9850 11.0965 11.0999 12.2545 12.2604 12.2908 12.2938 k = 0.1552 0.1799 0.7182 ( 3314 PWs) bands (ev): -47.4745 -47.4745 -22.5796 -22.5796 -19.5557 -19.5465 -19.3948 -19.3824 -19.3362 -19.3342 -17.8553 -17.8541 -7.4718 -7.4715 -5.0291 -5.0266 -4.5051 -4.5015 -4.0739 -4.0724 -0.4381 -0.4361 0.7399 0.7408 2.2671 2.2672 4.9810 4.9848 11.1210 11.1246 12.2176 12.2236 12.2924 12.2955 k = 0.1638 0.1899 0.7182 ( 3312 PWs) bands (ev): -47.4745 -47.4745 -22.5799 -22.5799 -19.5557 -19.5461 -19.3949 -19.3821 -19.3358 -19.3337 -17.8554 -17.8542 -7.4729 -7.4726 -5.0313 -5.0288 -4.5029 -4.4992 -4.0762 -4.0747 -0.4336 -0.4315 0.7404 0.7412 2.2682 2.2682 4.9807 4.9847 11.1459 11.1496 12.1810 12.1871 12.2940 12.2973 k = 0.1724 0.1999 0.7182 ( 3316 PWs) bands (ev): -47.4745 -47.4745 -22.5802 -22.5802 -19.5557 -19.5458 -19.3951 -19.3818 -19.3355 -19.3333 -17.8555 -17.8542 -7.4739 -7.4736 -5.0334 -5.0308 -4.5009 -4.4971 -4.0784 -4.0768 -0.4293 -0.4272 0.7408 0.7417 2.2692 2.2692 4.9805 4.9845 11.1710 11.1748 12.1451 12.1513 12.2956 12.2989 k = 0.1810 0.2099 0.7182 ( 3318 PWs) bands (ev): -47.4745 -47.4745 -22.5804 -22.5804 -19.5557 -19.5455 -19.3952 -19.3815 -19.3352 -19.3329 -17.8556 -17.8543 -7.4749 -7.4746 -5.0353 -5.0327 -4.4991 -4.4952 -4.0805 -4.0788 -0.4253 -0.4231 0.7412 0.7421 2.2701 2.2701 4.9802 4.9844 11.1959 11.1998 12.1103 12.1166 12.2970 12.3004 k = 0.1897 0.2199 0.7182 ( 3318 PWs) bands (ev): -47.4745 -47.4745 -22.5807 -22.5807 -19.5556 -19.5453 -19.3953 -19.3813 -19.3349 -19.3326 -17.8557 -17.8544 -7.4758 -7.4755 -5.0371 -5.0344 -4.4974 -4.4935 -4.0823 -4.0807 -0.4217 -0.4195 0.7416 0.7425 2.2710 2.2710 4.9800 4.9843 11.2202 11.2242 12.0771 12.0834 12.2983 12.3018 k = 0.1983 0.2299 0.7182 ( 3320 PWs) bands (ev): -47.4745 -47.4745 -22.5809 -22.5809 -19.5556 -19.5450 -19.3954 -19.3811 -19.3346 -19.3323 -17.8558 -17.8544 -7.4766 -7.4763 -5.0386 -5.0359 -4.4959 -4.4919 -4.0840 -4.0823 -0.4185 -0.4162 0.7419 0.7429 2.2718 2.2718 4.9798 4.9842 11.2434 11.2475 12.0459 12.0523 12.2995 12.3031 k = 0.2069 0.2399 0.7182 ( 3320 PWs) bands (ev): -47.4745 -47.4745 -22.5811 -22.5811 -19.5556 -19.5448 -19.3955 -19.3809 -19.3344 -19.3320 -17.8558 -17.8545 -7.4773 -7.4770 -5.0400 -5.0372 -4.4946 -4.4906 -4.0854 -4.0837 -0.4157 -0.4134 0.7422 0.7432 2.2725 2.2725 4.9796 4.9841 11.2650 11.2692 12.0176 12.0240 12.3006 12.3042 k = 0.2155 0.2498 0.7182 ( 3318 PWs) bands (ev): -47.4745 -47.4745 -22.5812 -22.5812 -19.5556 -19.5447 -19.3955 -19.3808 -19.3342 -19.3317 -17.8559 -17.8545 -7.4779 -7.4776 -5.0411 -5.0383 -4.4936 -4.4895 -4.0866 -4.0849 -0.4134 -0.4110 0.7424 0.7434 2.2730 2.2731 4.9795 4.9840 11.2843 11.2885 11.9927 11.9992 12.3014 12.3051 k = 0.2241 0.2598 0.7182 ( 3318 PWs) bands (ev): -47.4745 -47.4745 -22.5813 -22.5813 -19.5556 -19.5445 -19.3956 -19.3807 -19.3340 -19.3315 -17.8559 -17.8545 -7.4784 -7.4780 -5.0419 -5.0391 -4.4927 -4.4886 -4.0875 -4.0858 -0.4116 -0.4092 0.7426 0.7436 2.2735 2.2735 4.9793 4.9839 11.3005 11.3048 11.9721 11.9787 12.3021 12.3058 k = 0.2328 0.2698 0.7182 ( 3316 PWs) bands (ev): -47.4745 -47.4745 -22.5814 -22.5814 -19.5556 -19.5444 -19.3956 -19.3806 -19.3339 -19.3314 -17.8560 -17.8545 -7.4787 -7.4784 -5.0425 -5.0397 -4.4921 -4.4880 -4.0882 -4.0864 -0.4102 -0.4078 0.7428 0.7438 2.2738 2.2739 4.9793 4.9839 11.3128 11.3171 11.9567 11.9632 12.3026 12.3063 k = 0.2414 0.2798 0.7182 ( 3318 PWs) bands (ev): -47.4745 -47.4745 -22.5815 -22.5815 -19.5556 -19.5444 -19.3957 -19.3805 -19.3338 -19.3313 -17.8560 -17.8546 -7.4789 -7.4786 -5.0429 -5.0401 -4.4918 -4.4876 -4.0886 -4.0868 -0.4095 -0.4070 0.7429 0.7439 2.2740 2.2741 4.9792 4.9838 11.3206 11.3249 11.9470 11.9536 12.3029 12.3067 k = 0.2500 0.2898 0.7182 ( 3320 PWs) bands (ev): -47.4745 -47.4745 -22.5815 -22.5815 -19.5556 -19.5444 -19.3957 -19.3805 -19.3338 -19.3313 -17.8560 -17.8546 -7.4790 -7.4786 -5.0430 -5.0402 -4.4916 -4.4875 -4.0887 -4.0870 -0.4092 -0.4068 0.7429 0.7439 2.2741 2.2741 4.9792 4.9838 11.3232 11.3275 11.9437 11.9503 12.3030 12.3068 k = 0.2500 0.2898 0.7182 ( 3320 PWs) bands (ev): -47.4745 -47.4745 -22.5815 -22.5815 -19.5556 -19.5444 -19.3957 -19.3805 -19.3338 -19.3313 -17.8560 -17.8546 -7.4790 -7.4786 -5.0430 -5.0402 -4.4916 -4.4875 -4.0887 -4.0870 -0.4092 -0.4068 0.7429 0.7439 2.2741 2.2741 4.9792 4.9838 11.3232 11.3275 11.9437 11.9503 12.3030 12.3068 k = 0.2417 0.2970 0.7109 ( 3320 PWs) bands (ev): -47.4745 -47.4745 -22.5815 -22.5815 -19.5555 -19.5443 -19.3956 -19.3805 -19.3338 -19.3313 -17.8561 -17.8546 -7.4794 -7.4791 -5.0425 -5.0397 -4.4921 -4.4879 -4.0886 -4.0868 -0.4091 -0.4067 0.7439 0.7449 2.2739 2.2739 4.9790 4.9836 11.3225 11.3268 11.9300 11.9361 12.3184 12.3217 k = 0.2333 0.3042 0.7037 ( 3318 PWs) bands (ev): -47.4745 -47.4745 -22.5816 -22.5816 -19.5553 -19.5441 -19.3954 -19.3803 -19.3338 -19.3313 -17.8563 -17.8549 -7.4808 -7.4805 -5.0408 -5.0380 -4.4935 -4.4893 -4.0881 -4.0862 -0.4088 -0.4064 0.7470 0.7480 2.2733 2.2733 4.9784 4.9830 11.3204 11.3247 11.8940 11.8993 12.3586 12.3610 k = 0.2250 0.3114 0.6964 ( 3324 PWs) bands (ev): -47.4745 -47.4745 -22.5818 -22.5817 -19.5549 -19.5438 -19.3951 -19.3801 -19.3338 -19.3313 -17.8568 -17.8553 -7.4831 -7.4827 -5.0380 -5.0352 -4.4958 -4.4916 -4.0873 -4.0853 -0.4084 -0.4061 0.7521 0.7531 2.2722 2.2723 4.9773 4.9819 11.3169 11.3211 11.8452 11.8497 12.4139 12.4153 k = 0.2167 0.3186 0.6892 ( 3324 PWs) bands (ev): -47.4745 -47.4745 -22.5820 -22.5820 -19.5544 -19.5434 -19.3946 -19.3797 -19.3338 -19.3312 -17.8573 -17.8559 -7.4862 -7.4858 -5.0342 -5.0313 -4.4989 -4.4946 -4.0863 -4.0842 -0.4078 -0.4055 0.7592 0.7602 2.2708 2.2710 4.9759 4.9805 11.3121 11.3162 11.7900 11.7939 12.4773 12.4780 k = 0.2083 0.3258 0.6819 ( 3324 PWs) bands (ev): -47.4745 -47.4745 -22.5822 -22.5822 -19.5538 -19.5429 -19.3940 -19.3793 -19.3337 -19.3312 -17.8581 -17.8567 -7.4901 -7.4898 -5.0293 -5.0265 -4.5026 -4.4983 -4.0852 -4.0829 -0.4070 -0.4047 0.7682 0.7691 2.2690 2.2692 4.9742 4.9787 11.3059 11.3100 11.7321 11.7356 12.5450 12.5452 k = 0.2000 0.3330 0.6746 ( 3326 PWs) bands (ev): -47.4745 -47.4745 -22.5826 -22.5826 -19.5530 -19.5423 -19.3933 -19.3787 -19.3337 -19.3311 -17.8589 -17.8575 -7.4948 -7.4945 -5.0236 -5.0207 -4.5069 -4.5025 -4.0839 -4.0814 -0.4060 -0.4038 0.7789 0.7799 2.2669 2.2671 4.9720 4.9764 11.2984 11.3024 11.6733 11.6765 12.6145 12.6151 k = 0.1917 0.3401 0.6674 ( 3320 PWs) bands (ev): -47.4745 -47.4745 -22.5830 -22.5829 -19.5521 -19.5416 -19.3924 -19.3781 -19.3336 -19.3311 -17.8599 -17.8586 -7.5002 -7.4999 -5.0171 -5.0142 -4.5116 -4.5071 -4.0826 -4.0800 -0.4048 -0.4027 0.7913 0.7923 2.2644 2.2647 4.9695 4.9739 11.2898 11.2936 11.6148 11.6177 12.6847 12.6859 k = 0.1833 0.3473 0.6601 ( 3318 PWs) bands (ev): -47.4745 -47.4745 -22.5834 -22.5834 -19.5511 -19.5408 -19.3914 -19.3773 -19.3335 -19.3310 -17.8611 -17.8597 -7.5062 -7.5059 -5.0099 -5.0070 -4.5165 -4.5119 -4.0814 -4.0786 -0.4033 -0.4013 0.8052 0.8062 2.2616 2.2620 4.9666 4.9709 11.2799 11.2836 11.5571 11.5598 12.7546 12.7564 k = 0.1750 0.3545 0.6529 ( 3316 PWs) bands (ev): -47.4745 -47.4745 -22.5838 -22.5838 -19.5500 -19.5399 -19.3903 -19.3765 -19.3334 -19.3309 -17.8623 -17.8610 -7.5128 -7.5125 -5.0021 -4.9992 -4.5215 -4.5168 -4.0804 -4.0775 -0.4016 -0.3997 0.8204 0.8214 2.2586 2.2590 4.9635 4.9677 11.2690 11.2725 11.5008 11.5033 12.8231 12.8255 k = 0.1667 0.3617 0.6456 ( 3314 PWs) bands (ev): -47.4745 -47.4745 -22.5843 -22.5843 -19.5488 -19.5390 -19.3891 -19.3757 -19.3333 -19.3308 -17.8637 -17.8624 -7.5199 -7.5196 -4.9940 -4.9911 -4.5263 -4.5215 -4.0797 -4.0766 -0.3997 -0.3979 0.8369 0.8378 2.2553 2.2557 4.9600 4.9641 11.2570 11.2603 11.4460 11.4485 12.8892 12.8921 k = 0.1583 0.3689 0.6383 ( 3316 PWs) bands (ev): -47.4745 -47.4745 -22.5849 -22.5849 -19.5476 -19.5381 -19.3879 -19.3748 -19.3332 -19.3307 -17.8651 -17.8639 -7.5274 -7.5271 -4.9856 -4.9827 -4.5308 -4.5260 -4.0793 -4.0761 -0.3976 -0.3959 0.8543 0.8552 2.2518 2.2522 4.9563 4.9603 11.2440 11.2471 11.3932 11.3957 12.9516 12.9551 k = 0.1500 0.3761 0.6311 ( 3318 PWs) bands (ev): -47.4745 -47.4745 -22.5854 -22.5854 -19.5463 -19.5371 -19.3865 -19.3738 -19.3331 -19.3306 -17.8666 -17.8654 -7.5351 -7.5349 -4.9772 -4.9743 -4.5348 -4.5300 -4.0793 -4.0760 -0.3953 -0.3936 0.8725 0.8735 2.2481 2.2486 4.9524 4.9563 11.2299 11.2327 11.3426 11.3451 13.0093 13.0133 k = 0.1417 0.3833 0.6238 ( 3316 PWs) bands (ev): -47.4745 -47.4745 -22.5860 -22.5860 -19.5450 -19.5362 -19.3851 -19.3728 -19.3329 -19.3305 -17.8682 -17.8670 -7.5431 -7.5428 -4.9688 -4.9659 -4.5383 -4.5334 -4.0797 -4.0764 -0.3927 -0.3912 0.8913 0.8923 2.2443 2.2448 4.9483 4.9521 11.2145 11.2168 11.2949 11.2976 13.0613 13.0657 k = 0.1333 0.3905 0.6165 ( 3314 PWs) bands (ev): -47.4745 -47.4745 -22.5866 -22.5866 -19.5436 -19.5352 -19.3836 -19.3718 -19.3327 -19.3304 -17.8698 -17.8687 -7.5512 -7.5510 -4.9607 -4.9578 -4.5409 -4.5360 -4.0805 -4.0772 -0.3900 -0.3886 0.9106 0.9115 2.2404 2.2409 4.9441 4.9478 11.1966 11.1981 11.2513 11.2544 13.1064 13.1113 k = 0.1250 0.3976 0.6093 ( 3318 PWs) bands (ev): -47.4745 -47.4745 -22.5872 -22.5872 -19.5423 -19.5343 -19.3820 -19.3708 -19.3326 -19.3303 -17.8714 -17.8704 -7.5593 -7.5591 -4.9529 -4.9501 -4.5427 -4.5378 -4.0819 -4.0785 -0.3871 -0.3858 0.9300 0.9309 2.2365 2.2370 4.9398 4.9433 11.1727 11.1738 11.2153 11.2192 13.1442 13.1492 k = 0.1167 0.4048 0.6020 ( 3316 PWs) bands (ev): -47.4745 -47.4745 -22.5878 -22.5878 -19.5409 -19.5333 -19.3805 -19.3697 -19.3324 -19.3301 -17.8731 -17.8721 -7.5674 -7.5672 -4.9457 -4.9430 -4.5436 -4.5387 -4.0837 -4.0804 -0.3841 -0.3829 0.9494 0.9503 2.2326 2.2331 4.9354 4.9388 11.1405 11.1416 11.1900 11.1940 13.1743 13.1794 k = 0.1083 0.4120 0.5948 ( 3320 PWs) bands (ev): -47.4745 -47.4745 -22.5884 -22.5884 -19.5396 -19.5325 -19.3789 -19.3688 -19.3322 -19.3300 -17.8747 -17.8737 -7.5754 -7.5751 -4.9391 -4.9365 -4.5434 -4.5386 -4.0860 -4.0827 -0.3811 -0.3800 0.9686 0.9695 2.2287 2.2292 4.9311 4.9342 11.1042 11.1054 11.1714 11.1750 13.1970 13.2020 k = 0.1000 0.4192 0.5875 ( 3322 PWs) bands (ev): -47.4745 -47.4745 -22.5890 -22.5890 -19.5383 -19.5317 -19.3773 -19.3678 -19.3320 -19.3299 -17.8763 -17.8754 -7.5831 -7.5829 -4.9332 -4.9307 -4.5422 -4.5376 -4.0888 -4.0855 -0.3780 -0.3769 0.9873 0.9882 2.2249 2.2254 4.9268 4.9297 11.0681 11.0692 11.1555 11.1587 13.2129 13.2178 k = 0.0917 0.4264 0.5802 ( 3324 PWs) bands (ev): -47.4745 -47.4745 -22.5895 -22.5895 -19.5371 -19.5309 -19.3758 -19.3669 -19.3317 -19.3297 -17.8778 -17.8770 -7.5905 -7.5903 -4.9280 -4.9256 -4.5401 -4.5356 -4.0918 -4.0886 -0.3749 -0.3739 1.0055 1.0063 2.2212 2.2217 4.9226 4.9253 11.0335 11.0346 11.1409 11.1438 13.2231 13.2276 k = 0.0833 0.4336 0.5730 ( 3322 PWs) bands (ev): -47.4745 -47.4745 -22.5901 -22.5901 -19.5359 -19.5302 -19.3742 -19.3661 -19.3315 -19.3296 -17.8793 -17.8785 -7.5975 -7.5973 -4.9236 -4.9214 -4.5371 -4.5328 -4.0952 -4.0921 -0.3718 -0.3710 1.0228 1.0236 2.2177 2.2182 4.9185 4.9211 11.0012 11.0022 11.1274 11.1299 13.2285 13.2327 k = 0.0750 0.4408 0.5657 ( 3312 PWs) bands (ev): -47.4745 -47.4745 -22.5905 -22.5905 -19.5347 -19.5296 -19.3727 -19.3653 -19.3312 -19.3294 -17.8806 -17.8799 -7.6040 -7.6039 -4.9199 -4.9179 -4.5334 -4.5294 -4.0988 -4.0959 -0.3688 -0.3681 1.0392 1.0400 2.2144 2.2148 4.9147 4.9171 10.9714 10.9723 11.1148 11.1171 13.2303 13.2340 k = 0.0667 0.4480 0.5584 ( 3318 PWs) bands (ev): -47.4745 -47.4745 -22.5910 -22.5910 -19.5336 -19.5291 -19.3713 -19.3647 -19.3309 -19.3293 -17.8819 -17.8813 -7.6101 -7.6099 -4.9169 -4.9150 -4.5292 -4.5254 -4.1026 -4.0998 -0.3660 -0.3654 1.0543 1.0550 2.2113 2.2117 4.9112 4.9133 10.9443 10.9451 11.1032 11.1052 13.2293 13.2326 k = 0.0583 0.4552 0.5512 ( 3322 PWs) bands (ev): -47.4745 -47.4745 -22.5914 -22.5914 -19.5327 -19.5286 -19.3700 -19.3642 -19.3307 -19.3292 -17.8831 -17.8825 -7.6156 -7.6154 -4.9144 -4.9128 -4.5247 -4.5212 -4.1063 -4.1037 -0.3634 -0.3629 1.0681 1.0687 2.2085 2.2089 4.9079 4.9098 10.9201 10.9208 11.0927 11.0945 13.2266 13.2295 k = 0.0500 0.4623 0.5439 ( 3320 PWs) bands (ev): -47.4745 -47.4745 -22.5918 -22.5918 -19.5317 -19.5283 -19.3688 -19.3637 -19.3304 -19.3291 -17.8841 -17.8837 -7.6204 -7.6203 -4.9125 -4.9111 -4.5200 -4.5170 -4.1098 -4.1076 -0.3611 -0.3606 1.0804 1.0809 2.2060 2.2064 4.9050 4.9066 10.8988 10.8995 11.0835 11.0849 13.2228 13.2253 k = 0.0417 0.4695 0.5367 ( 3316 PWs) bands (ev): -47.4745 -47.4745 -22.5921 -22.5921 -19.5309 -19.5280 -19.3676 -19.3634 -19.3301 -19.3291 -17.8850 -17.8846 -7.6246 -7.6245 -4.9111 -4.9099 -4.5155 -4.5129 -4.1131 -4.1112 -0.3590 -0.3586 1.0910 1.0915 2.2039 2.2042 4.9025 4.9039 10.8806 10.8812 11.0755 11.0767 13.2187 13.2207 k = 0.0333 0.4767 0.5294 ( 3316 PWs) bands (ev): -47.4745 -47.4745 -22.5924 -22.5924 -19.5301 -19.5278 -19.3666 -19.3632 -19.3299 -19.3290 -17.8857 -17.8854 -7.6281 -7.6280 -4.9100 -4.9091 -4.5113 -4.5092 -4.1160 -4.1144 -0.3572 -0.3569 1.0999 1.1003 2.2021 2.2024 4.9004 4.9015 10.8657 10.8661 11.0688 11.0698 13.2147 13.2163 k = 0.0250 0.4839 0.5221 ( 3320 PWs) bands (ev): -47.4745 -47.4745 -22.5926 -22.5926 -19.5295 -19.5278 -19.3657 -19.3631 -19.3297 -19.3291 -17.8863 -17.8861 -7.6308 -7.6308 -4.9092 -4.9085 -4.5078 -4.5062 -4.1184 -4.1171 -0.3558 -0.3556 1.1069 1.1073 2.2007 2.2009 4.8988 4.8996 10.8539 10.8543 11.0636 11.0644 13.2112 13.2124 k = 0.0167 0.4911 0.5149 ( 3326 PWs) bands (ev): -47.4745 -47.4745 -22.5928 -22.5928 -19.5290 -19.5278 -19.3650 -19.3633 -19.3295 -19.3291 -17.8867 -17.8866 -7.6328 -7.6327 -4.9087 -4.9082 -4.5051 -4.5040 -4.1201 -4.1192 -0.3548 -0.3546 1.1120 1.1122 2.1997 2.1998 4.8977 4.8982 10.8455 10.8458 11.0599 11.0604 13.2085 13.2093 k = 0.0083 0.4983 0.5076 ( 3328 PWs) bands (ev): -47.4745 -47.4745 -22.5929 -22.5929 -19.5286 -19.5280 -19.3644 -19.3635 -19.3294 -19.3292 -17.8870 -17.8869 -7.6340 -7.6339 -4.9083 -4.9081 -4.5032 -4.5027 -4.1211 -4.1206 -0.3541 -0.3541 1.1151 1.1152 2.1991 2.1992 4.8970 4.8973 10.8405 10.8406 11.0577 11.0579 13.2069 13.2073 k = 0.0000 0.5055 0.5004 ( 3326 PWs) bands (ev): -47.4745 -47.4745 -22.5929 -22.5929 -19.5282 -19.5282 -19.3639 -19.3639 -19.3292 -19.3292 -17.8870 -17.8870 -7.6344 -7.6344 -4.9081 -4.9081 -4.5024 -4.5024 -4.1213 -4.1213 -0.3539 -0.3539 1.1162 1.1162 2.1989 2.1989 4.8969 4.8969 10.8388 10.8388 11.0570 11.0570 13.2065 13.2065 k = 0.0000 0.5055 0.5004 ( 3326 PWs) bands (ev): -47.4745 -47.4745 -22.5929 -22.5929 -19.5282 -19.5282 -19.3639 -19.3639 -19.3292 -19.3292 -17.8870 -17.8870 -7.6344 -7.6344 -4.9081 -4.9081 -4.5024 -4.5024 -4.1213 -4.1213 -0.3539 -0.3539 1.1162 1.1162 2.1989 2.1989 4.8969 4.8969 10.8388 10.8388 11.0570 11.0570 13.2065 13.2065 k = 0.0104 0.5114 0.4944 ( 3324 PWs) bands (ev): -47.4745 -47.4745 -22.5929 -22.5929 -19.5284 -19.5281 -19.3639 -19.3638 -19.3294 -19.3291 -17.8870 -17.8870 -7.6345 -7.6345 -4.9081 -4.9079 -4.5023 -4.5023 -4.1214 -4.1211 -0.3536 -0.3535 1.1162 1.1164 2.1988 2.1988 4.8971 4.8972 10.8395 10.8395 11.0573 11.0575 13.2052 13.2053 k = 0.0207 0.5173 0.4884 ( 3323 PWs) bands (ev): -47.4745 -47.4745 -22.5928 -22.5928 -19.5286 -19.5280 -19.3639 -19.3639 -19.3296 -19.3291 -17.8871 -17.8871 -7.6349 -7.6348 -4.9078 -4.9075 -4.5020 -4.5020 -4.1215 -4.1210 -0.3527 -0.3525 1.1164 1.1167 2.1983 2.1984 4.8977 4.8979 10.8416 10.8416 11.0583 11.0586 13.2012 13.2015 k = 0.0311 0.5233 0.4824 ( 3320 PWs) bands (ev): -47.4745 -47.4745 -22.5926 -22.5926 -19.5288 -19.5279 -19.3640 -19.3639 -19.3298 -19.3291 -17.8871 -17.8871 -7.6356 -7.6355 -4.9073 -4.9067 -4.5015 -4.5014 -4.1215 -4.1208 -0.3512 -0.3508 1.1168 1.1172 2.1975 2.1976 4.8987 4.8990 10.8451 10.8451 11.0600 11.0605 13.1947 13.1950 k = 0.0414 0.5292 0.4764 ( 3324 PWs) bands (ev): -47.4745 -47.4745 -22.5924 -22.5924 -19.5291 -19.5279 -19.3642 -19.3640 -19.3302 -19.3293 -17.8872 -17.8872 -7.6365 -7.6364 -4.9065 -4.9058 -4.5008 -4.5007 -4.1216 -4.1207 -0.3490 -0.3485 1.1174 1.1179 2.1963 2.1965 4.9002 4.9006 10.8499 10.8500 11.0624 11.0630 13.1856 13.1861 k = 0.0518 0.5352 0.4704 ( 3324 PWs) bands (ev): -47.4745 -47.4745 -22.5921 -22.5921 -19.5294 -19.5279 -19.3643 -19.3641 -19.3306 -19.3294 -17.8874 -17.8874 -7.6377 -7.6376 -4.9054 -4.9045 -4.4999 -4.4997 -4.1217 -4.1205 -0.3462 -0.3456 1.1181 1.1187 2.1950 2.1952 4.9022 4.9026 10.8561 10.8561 11.0655 11.0662 13.1739 13.1745 k = 0.0621 0.5411 0.4644 ( 3322 PWs) bands (ev): -47.4745 -47.4745 -22.5918 -22.5917 -19.5297 -19.5280 -19.3645 -19.3643 -19.3310 -19.3296 -17.8875 -17.8875 -7.6392 -7.6390 -4.9041 -4.9030 -4.4987 -4.4986 -4.1218 -4.1204 -0.3427 -0.3420 1.1190 1.1197 2.1933 2.1936 4.9046 4.9051 10.8636 10.8636 11.0692 11.0701 13.1598 13.1605 k = 0.0725 0.5470 0.4584 ( 3318 PWs) bands (ev): -47.4745 -47.4745 -22.5914 -22.5913 -19.5300 -19.5280 -19.3647 -19.3645 -19.3315 -19.3299 -17.8877 -17.8877 -7.6409 -7.6407 -4.9025 -4.9013 -4.4974 -4.4972 -4.1219 -4.1203 -0.3387 -0.3379 1.1201 1.1210 2.1915 2.1918 4.9074 4.9080 10.8724 10.8724 11.0736 11.0746 13.1431 13.1439 k = 0.0828 0.5530 0.4524 ( 3320 PWs) bands (ev): -47.4745 -47.4745 -22.5910 -22.5909 -19.5304 -19.5282 -19.3650 -19.3647 -19.3321 -19.3302 -17.8879 -17.8879 -7.6428 -7.6426 -4.9006 -4.8992 -4.4959 -4.4957 -4.1220 -4.1202 -0.3341 -0.3331 1.1214 1.1223 2.1894 2.1897 4.9107 4.9114 10.8823 10.8824 11.0785 11.0797 13.1239 13.1248 k = 0.0932 0.5589 0.4464 ( 3322 PWs) bands (ev): -47.4745 -47.4745 -22.5905 -22.5904 -19.5308 -19.5283 -19.3653 -19.3650 -19.3327 -19.3305 -17.8882 -17.8882 -7.6450 -7.6448 -4.8985 -4.8969 -4.4943 -4.4940 -4.1222 -4.1202 -0.3289 -0.3278 1.1229 1.1239 2.1870 2.1875 4.9145 4.9152 10.8935 10.8935 11.0841 11.0854 13.1022 13.1033 k = 0.1035 0.5649 0.4404 ( 3316 PWs) bands (ev): -47.4745 -47.4745 -22.5900 -22.5898 -19.5313 -19.5285 -19.3656 -19.3653 -19.3333 -19.3309 -17.8884 -17.8884 -7.6474 -7.6472 -4.8960 -4.8943 -4.4924 -4.4922 -4.1225 -4.1202 -0.3231 -0.3219 1.1246 1.1257 2.1846 2.1851 4.9188 4.9196 10.9057 10.9058 11.0902 11.0917 13.0781 13.0793 k = 0.1139 0.5708 0.4344 ( 3315 PWs) bands (ev): -47.4745 -47.4745 -22.5894 -22.5893 -19.5317 -19.5287 -19.3659 -19.3657 -19.3339 -19.3313 -17.8887 -17.8887 -7.6501 -7.6498 -4.8932 -4.8914 -4.4905 -4.4902 -4.1228 -4.1204 -0.3168 -0.3156 1.1264 1.1276 2.1820 2.1825 4.9236 4.9245 10.9189 10.9190 11.0968 11.0985 13.0515 13.0529 k = 0.1242 0.5767 0.4284 ( 3316 PWs) bands (ev): -47.4745 -47.4745 -22.5888 -22.5886 -19.5322 -19.5290 -19.3662 -19.3661 -19.3346 -19.3317 -17.8890 -17.8890 -7.6530 -7.6526 -4.8902 -4.8882 -4.4883 -4.4881 -4.1233 -4.1206 -0.3101 -0.3087 1.1284 1.1298 2.1792 2.1798 4.9289 4.9298 10.9331 10.9332 11.1040 11.1058 13.0226 13.0241 k = 0.1346 0.5827 0.4224 ( 3312 PWs) bands (ev): -47.4745 -47.4745 -22.5881 -22.5880 -19.5327 -19.5293 -19.3665 -19.3665 -19.3353 -19.3322 -17.8893 -17.8893 -7.6560 -7.6557 -4.8868 -4.8846 -4.4861 -4.4858 -4.1238 -4.1210 -0.3028 -0.3013 1.1306 1.1321 2.1764 2.1770 4.9347 4.9357 10.9480 10.9481 11.1117 11.1136 12.9912 12.9928 k = 0.1449 0.5886 0.4164 ( 3314 PWs) bands (ev): -47.4746 -47.4746 -22.5875 -22.5873 -19.5332 -19.5296 -19.3669 -19.3669 -19.3361 -19.3327 -17.8896 -17.8896 -7.6593 -7.6590 -4.8831 -4.8808 -4.4837 -4.4834 -4.1245 -4.1215 -0.2951 -0.2935 1.1330 1.1346 2.1735 2.1741 4.9410 4.9421 10.9635 10.9636 11.1201 11.1221 12.9573 12.9591 k = 0.1553 0.5946 0.4104 ( 3315 PWs) bands (ev): -47.4746 -47.4746 -22.5868 -22.5866 -19.5338 -19.5300 -19.3674 -19.3673 -19.3369 -19.3332 -17.8899 -17.8899 -7.6628 -7.6624 -4.8790 -4.8767 -4.4813 -4.4809 -4.1253 -4.1222 -0.2869 -0.2852 1.1356 1.1373 2.1706 2.1712 4.9479 4.9491 10.9794 10.9794 11.1291 11.1312 12.9211 12.9230 k = 0.1656 0.6005 0.4044 ( 3317 PWs) bands (ev): -47.4746 -47.4746 -22.5861 -22.5859 -19.5343 -19.5304 -19.3679 -19.3677 -19.3377 -19.3337 -17.8903 -17.8903 -7.6665 -7.6660 -4.8747 -4.8722 -4.4788 -4.4784 -4.1262 -4.1230 -0.2784 -0.2766 1.1384 1.1401 2.1676 2.1683 4.9553 4.9565 10.9954 10.9954 11.1390 11.1411 12.8824 12.8844 k = 0.1760 0.6064 0.3984 ( 3317 PWs) bands (ev): -47.4746 -47.4746 -22.5854 -22.5852 -19.5349 -19.5308 -19.3685 -19.3681 -19.3385 -19.3343 -17.8906 -17.8906 -7.6703 -7.6698 -4.8700 -4.8674 -4.4761 -4.4758 -4.1273 -4.1239 -0.2694 -0.2675 1.1413 1.1432 2.1647 2.1654 4.9633 4.9645 11.0111 11.0112 11.1499 11.1519 12.8412 12.8433 k = 0.1863 0.6124 0.3924 ( 3316 PWs) bands (ev): -47.4746 -47.4746 -22.5846 -22.5844 -19.5355 -19.5312 -19.3690 -19.3685 -19.3393 -19.3348 -17.8910 -17.8910 -7.6743 -7.6738 -4.8649 -4.8622 -4.4735 -4.4731 -4.1286 -4.1251 -0.2602 -0.2582 1.1445 1.1464 2.1618 2.1626 4.9718 4.9731 11.0261 11.0265 11.1621 11.1640 12.7976 12.7998 k = 0.1967 0.6183 0.3864 ( 3322 PWs) bands (ev): -47.4746 -47.4746 -22.5839 -22.5837 -19.5361 -19.5317 -19.3696 -19.3690 -19.3401 -19.3353 -17.8914 -17.8914 -7.6784 -7.6779 -4.8596 -4.8568 -4.4708 -4.4704 -4.1300 -4.1264 -0.2506 -0.2486 1.1478 1.1498 2.1590 2.1598 4.9808 4.9822 11.0401 11.0407 11.1758 11.1775 12.7515 12.7538 k = 0.2070 0.6242 0.3804 ( 3322 PWs) bands (ev): -47.4746 -47.4746 -22.5832 -22.5830 -19.5367 -19.5322 -19.3702 -19.3695 -19.3408 -19.3358 -17.8917 -17.8917 -7.6827 -7.6822 -4.8539 -4.8510 -4.4681 -4.4677 -4.1316 -4.1279 -0.2408 -0.2386 1.1512 1.1533 2.1563 2.1572 4.9904 4.9918 11.0526 11.0535 11.1914 11.1928 12.7029 12.7052 k = 0.2174 0.6302 0.3744 ( 3322 PWs) bands (ev): -47.4746 -47.4746 -22.5825 -22.5823 -19.5373 -19.5327 -19.3709 -19.3699 -19.3415 -19.3363 -17.8921 -17.8921 -7.6871 -7.6865 -4.8479 -4.8449 -4.4654 -4.4649 -4.1334 -4.1295 -0.2307 -0.2285 1.1549 1.1570 2.1538 2.1546 5.0005 5.0019 11.0633 11.0645 11.2090 11.2101 12.6518 12.6542 k = 0.2277 0.6361 0.3684 ( 3317 PWs) bands (ev): -47.4746 -47.4746 -22.5818 -22.5816 -19.5378 -19.5332 -19.3715 -19.3704 -19.3422 -19.3367 -17.8924 -17.8924 -7.6916 -7.6910 -4.8415 -4.8385 -4.4627 -4.4622 -4.1353 -4.1313 -0.2204 -0.2181 1.1586 1.1609 2.1513 2.1522 5.0111 5.0126 11.0720 11.0737 11.2285 11.2292 12.5984 12.6007 k = 0.2381 0.6421 0.3624 ( 3320 PWs) bands (ev): -47.4747 -47.4747 -22.5812 -22.5809 -19.5384 -19.5337 -19.3722 -19.3709 -19.3429 -19.3372 -17.8928 -17.8928 -7.6961 -7.6956 -4.8348 -4.8317 -4.4600 -4.4596 -4.1374 -4.1334 -0.2100 -0.2076 1.1625 1.1648 2.1490 2.1499 5.0223 5.0238 11.0788 11.0808 11.2497 11.2501 12.5426 12.5449 k = 0.2484 0.6480 0.3564 ( 3324 PWs) bands (ev): -47.4747 -47.4747 -22.5805 -22.5803 -19.5390 -19.5343 -19.3728 -19.3713 -19.3436 -19.3377 -17.8931 -17.8931 -7.7008 -7.7002 -4.8278 -4.8247 -4.4574 -4.4570 -4.1397 -4.1355 -0.1994 -0.1970 1.1665 1.1688 2.1468 2.1477 5.0339 5.0355 11.0836 11.0859 11.2725 11.2726 12.4846 12.4869 k = 0.2588 0.6539 0.3504 ( 3320 PWs) bands (ev): -47.4747 -47.4747 -22.5799 -22.5797 -19.5395 -19.5348 -19.3735 -19.3718 -19.3442 -19.3380 -17.8934 -17.8934 -7.7055 -7.7049 -4.8205 -4.8173 -4.4549 -4.4544 -4.1420 -4.1379 -0.1887 -0.1862 1.1705 1.1730 2.1448 2.1457 5.0460 5.0476 11.0867 11.0893 11.2961 11.2963 12.4248 12.4270 k = 0.2691 0.6599 0.3444 ( 3320 PWs) bands (ev): -47.4747 -47.4747 -22.5794 -22.5792 -19.5401 -19.5353 -19.3741 -19.3723 -19.3447 -19.3384 -17.8937 -17.8937 -7.7103 -7.7097 -4.8129 -4.8097 -4.4524 -4.4519 -4.1445 -4.1403 -0.1779 -0.1754 1.1747 1.1772 2.1430 2.1439 5.0586 5.0602 11.0882 11.0910 11.3202 11.3207 12.3634 12.3655 k = 0.2795 0.6658 0.3384 ( 3319 PWs) bands (ev): -47.4747 -47.4747 -22.5789 -22.5787 -19.5406 -19.5359 -19.3747 -19.3728 -19.3452 -19.3387 -17.8940 -17.8940 -7.7151 -7.7145 -4.8050 -4.8017 -4.4501 -4.4496 -4.1472 -4.1429 -0.1671 -0.1646 1.1789 1.1814 2.1413 2.1423 5.0716 5.0732 11.0882 11.0911 11.3443 11.3450 12.3010 12.3030 k = 0.2898 0.6718 0.3324 ( 3321 PWs) bands (ev): -47.4747 -47.4747 -22.5785 -22.5782 -19.5412 -19.5364 -19.3754 -19.3733 -19.3456 -19.3390 -17.8943 -17.8943 -7.7199 -7.7193 -4.7968 -4.7935 -4.4478 -4.4474 -4.1499 -4.1456 -0.1564 -0.1538 1.1831 1.1856 2.1398 2.1408 5.0849 5.0865 11.0868 11.0899 11.3675 11.3685 12.2385 12.2403 k = 0.3002 0.6777 0.3264 ( 3319 PWs) bands (ev): -47.4748 -47.4748 -22.5781 -22.5778 -19.5417 -19.5369 -19.3760 -19.3738 -19.3459 -19.3392 -17.8945 -17.8945 -7.7248 -7.7241 -4.7883 -4.7851 -4.4457 -4.4452 -4.1527 -4.1484 -0.1456 -0.1430 1.1873 1.1899 2.1385 2.1395 5.0986 5.1002 11.0842 11.0874 11.3888 11.3900 12.1769 12.1785 k = 0.3105 0.6836 0.3204 ( 3317 PWs) bands (ev): -47.4748 -47.4748 -22.5778 -22.5775 -19.5421 -19.5374 -19.3766 -19.3743 -19.3462 -19.3394 -17.8947 -17.8947 -7.7296 -7.7289 -4.7796 -4.7763 -4.4438 -4.4433 -4.1556 -4.1513 -0.1349 -0.1322 1.1915 1.1941 2.1373 2.1383 5.1126 5.1142 11.0804 11.0837 11.4065 11.4079 12.1180 12.1194 k = 0.3209 0.6896 0.3144 ( 3319 PWs) bands (ev): -47.4748 -47.4748 -22.5775 -22.5773 -19.5426 -19.5380 -19.3772 -19.3747 -19.3464 -19.3396 -17.8949 -17.8949 -7.7343 -7.7337 -4.7707 -4.7674 -4.4420 -4.4415 -4.1585 -4.1542 -0.1243 -0.1216 1.1956 1.1982 2.1363 2.1373 5.1269 5.1285 11.0756 11.0789 11.4183 11.4200 12.0642 12.0653 k = 0.3312 0.6955 0.3084 ( 3323 PWs) bands (ev): -47.4748 -47.4748 -22.5773 -22.5771 -19.5430 -19.5385 -19.3778 -19.3752 -19.3466 -19.3397 -17.8950 -17.8950 -7.7391 -7.7384 -4.7615 -4.7582 -4.4404 -4.4399 -4.1615 -4.1572 -0.1138 -0.1111 1.1996 1.2022 2.1354 2.1365 5.1414 5.1429 11.0699 11.0732 11.4214 11.4232 12.0187 12.0196 k = 0.3416 0.7014 0.3024 ( 3313 PWs) bands (ev): -47.4748 -47.4748 -22.5772 -22.5770 -19.5434 -19.5389 -19.3783 -19.3757 -19.3466 -19.3398 -17.8951 -17.8951 -7.7437 -7.7431 -4.7520 -4.7488 -4.4389 -4.4384 -4.1644 -4.1602 -0.1034 -0.1007 1.2034 1.2061 2.1347 2.1358 5.1560 5.1576 11.0633 11.0666 11.4123 11.4142 11.9849 11.9856 k = 0.3519 0.7074 0.2964 ( 3309 PWs) bands (ev): -47.4748 -47.4748 -22.5772 -22.5770 -19.5438 -19.5394 -19.3788 -19.3761 -19.3466 -19.3398 -17.8952 -17.8952 -7.7483 -7.7477 -4.7424 -4.7392 -4.4377 -4.4372 -4.1674 -4.1632 -0.0931 -0.0904 1.2071 1.2097 2.1341 2.1351 5.1708 5.1723 11.0560 11.0592 11.3885 11.3905 11.9657 11.9663 k = 0.3519 0.7074 0.2964 ( 3309 PWs) bands (ev): -47.4748 -47.4748 -22.5772 -22.5770 -19.5438 -19.5394 -19.3788 -19.3761 -19.3466 -19.3398 -17.8952 -17.8952 -7.7483 -7.7477 -4.7424 -4.7392 -4.4377 -4.4372 -4.1674 -4.1632 -0.0931 -0.0904 1.2071 1.2097 2.1341 2.1351 5.1708 5.1723 11.0560 11.0592 11.3885 11.3905 11.9657 11.9663 k = 0.3574 0.7027 0.2854 ( 3305 PWs) bands (ev): -47.4749 -47.4749 -22.5773 -22.5770 -19.5444 -19.5402 -19.3797 -19.3769 -19.3465 -19.3397 -17.8952 -17.8952 -7.7566 -7.7559 -4.7243 -4.7212 -4.4357 -4.4352 -4.1727 -4.1687 -0.0744 -0.0718 1.2135 1.2161 2.1330 2.1340 5.1980 5.1995 11.0403 11.0434 11.3305 11.3324 11.9451 11.9455 k = 0.3629 0.6979 0.2744 ( 3313 PWs) bands (ev): -47.4749 -47.4749 -22.5774 -22.5771 -19.5452 -19.5411 -19.3807 -19.3778 -19.3464 -19.3397 -17.8953 -17.8953 -7.7648 -7.7641 -4.7059 -4.7028 -4.4338 -4.4333 -4.1782 -4.1742 -0.0556 -0.0529 1.2197 1.2223 2.1317 2.1327 5.2254 5.2269 11.0216 11.0246 11.2717 11.2734 11.9248 11.9252 k = 0.3684 0.6932 0.2634 ( 3313 PWs) bands (ev): -47.4750 -47.4750 -22.5775 -22.5773 -19.5459 -19.5420 -19.3815 -19.3786 -19.3462 -19.3397 -17.8953 -17.8953 -7.7729 -7.7723 -4.6871 -4.6841 -4.4320 -4.4315 -4.1835 -4.1796 -0.0365 -0.0339 1.2257 1.2282 2.1303 2.1313 5.2531 5.2545 11.0004 11.0032 11.2121 11.2137 11.9052 11.9054 k = 0.3739 0.6885 0.2525 ( 3308 PWs) bands (ev): -47.4750 -47.4750 -22.5777 -22.5774 -19.5466 -19.5429 -19.3824 -19.3794 -19.3460 -19.3396 -17.8952 -17.8952 -7.7809 -7.7802 -4.6681 -4.6651 -4.4303 -4.4298 -4.1888 -4.1851 -0.0174 -0.0148 1.2314 1.2340 2.1288 2.1298 5.2809 5.2822 10.9771 10.9795 11.1520 11.1534 11.8863 11.8864 k = 0.3793 0.6837 0.2415 ( 3312 PWs) bands (ev): -47.4751 -47.4751 -22.5779 -22.5776 -19.5473 -19.5438 -19.3832 -19.3803 -19.3457 -19.3396 -17.8952 -17.8952 -7.7887 -7.7881 -4.6489 -4.6460 -4.4287 -4.4282 -4.1941 -4.1904 0.0017 0.0043 1.2369 1.2394 2.1271 2.1281 5.3085 5.3098 10.9517 10.9538 11.0918 11.0929 11.8680 11.8681 k = 0.3848 0.6790 0.2305 ( 3308 PWs) bands (ev): -47.4751 -47.4751 -22.5781 -22.5779 -19.5480 -19.5447 -19.3840 -19.3810 -19.3454 -19.3395 -17.8951 -17.8951 -7.7964 -7.7958 -4.6297 -4.6269 -4.4272 -4.4268 -4.1993 -4.1957 0.0207 0.0233 1.2422 1.2446 2.1254 2.1264 5.3361 5.3373 10.9242 10.9259 11.0324 11.0330 11.8504 11.8505 k = 0.3903 0.6743 0.2195 ( 3304 PWs) bands (ev): -47.4751 -47.4751 -22.5783 -22.5781 -19.5488 -19.5457 -19.3847 -19.3818 -19.3451 -19.3393 -17.8950 -17.8950 -7.8038 -7.8032 -4.6106 -4.6078 -4.4258 -4.4254 -4.2044 -4.2009 0.0396 0.0421 1.2472 1.2496 2.1236 2.1246 5.3634 5.3646 10.8938 10.8948 10.9751 10.9751 11.8023 11.8048 k = 0.3958 0.6695 0.2086 ( 3296 PWs) bands (ev): -47.4752 -47.4752 -22.5786 -22.5784 -19.5495 -19.5466 -19.3854 -19.3826 -19.3447 -19.3392 -17.8949 -17.8949 -7.8111 -7.8105 -4.5915 -4.5888 -4.4245 -4.4241 -4.2094 -4.2060 0.0582 0.0606 1.2520 1.2543 2.1218 2.1228 5.3904 5.3915 10.8582 10.8582 10.9223 10.9232 11.7450 11.7474 k = 0.4013 0.6648 0.1976 ( 3296 PWs) bands (ev): -47.4752 -47.4752 -22.5789 -22.5787 -19.5502 -19.5475 -19.3861 -19.3833 -19.3444 -19.3391 -17.8948 -17.8948 -7.8181 -7.8176 -4.5728 -4.5701 -4.4233 -4.4229 -4.2143 -4.2110 0.0765 0.0789 1.2565 1.2588 2.1199 2.1209 5.4168 5.4179 10.8128 10.8137 10.8787 10.8805 11.6899 11.6922 k = 0.4068 0.6601 0.1866 ( 3296 PWs) bands (ev): -47.4753 -47.4753 -22.5792 -22.5790 -19.5510 -19.5484 -19.3868 -19.3841 -19.3440 -19.3389 -17.8946 -17.8946 -7.8249 -7.8244 -4.5543 -4.5517 -4.4222 -4.4218 -4.2190 -4.2158 0.0944 0.0967 1.2607 1.2630 2.1181 2.1190 5.4427 5.4438 10.7603 10.7615 10.8441 10.8461 11.6371 11.6393 k = 0.4122 0.6553 0.1756 ( 3296 PWs) bands (ev): -47.4753 -47.4753 -22.5795 -22.5793 -19.5517 -19.5493 -19.3874 -19.3848 -19.3436 -19.3388 -17.8945 -17.8945 -7.8314 -7.8309 -4.5363 -4.5337 -4.4212 -4.4208 -4.2236 -4.2204 0.1117 0.1140 1.2647 1.2669 2.1162 2.1171 5.4679 5.4689 10.7048 10.7060 10.8143 10.8163 11.5867 11.5887 k = 0.4177 0.6506 0.1647 ( 3292 PWs) bands (ev): -47.4753 -47.4753 -22.5798 -22.5796 -19.5524 -19.5502 -19.3880 -19.3855 -19.3432 -19.3387 -17.8943 -17.8943 -7.8376 -7.8371 -4.5188 -4.5163 -4.4202 -4.4198 -4.2280 -4.2249 0.1286 0.1307 1.2685 1.2706 2.1143 2.1152 5.4923 5.4933 10.6492 10.6503 10.7870 10.7889 11.5387 11.5406 k = 0.4232 0.6459 0.1537 ( 3292 PWs) bands (ev): -47.4754 -47.4754 -22.5801 -22.5799 -19.5531 -19.5510 -19.3885 -19.3861 -19.3428 -19.3386 -17.8942 -17.8942 -7.8435 -7.8430 -4.5019 -4.4994 -4.4193 -4.4189 -4.2322 -4.2292 0.1447 0.1468 1.2720 1.2740 2.1125 2.1133 5.5158 5.5167 10.5947 10.5956 10.7615 10.7632 11.4934 11.4952 k = 0.4287 0.6412 0.1427 ( 3296 PWs) bands (ev): -47.4754 -47.4754 -22.5804 -22.5802 -19.5537 -19.5519 -19.3890 -19.3867 -19.3425 -19.3385 -17.8940 -17.8940 -7.8490 -7.8486 -4.4857 -4.4833 -4.4185 -4.4182 -4.2362 -4.2333 0.1602 0.1621 1.2752 1.2771 2.1107 2.1115 5.5382 5.5390 10.5420 10.5428 10.7375 10.7390 11.4507 11.4524 k = 0.4342 0.6364 0.1317 ( 3294 PWs) bands (ev): -47.4754 -47.4754 -22.5807 -22.5805 -19.5544 -19.5526 -19.3894 -19.3873 -19.3421 -19.3384 -17.8939 -17.8939 -7.8543 -7.8538 -4.4703 -4.4679 -4.4178 -4.4174 -4.2399 -4.2372 0.1748 0.1766 1.2783 1.2800 2.1090 2.1097 5.5595 5.5602 10.4917 10.4924 10.7150 10.7163 11.4108 11.4124 k = 0.4397 0.6317 0.1207 ( 3294 PWs) bands (ev): -47.4755 -47.4755 -22.5809 -22.5808 -19.5550 -19.5534 -19.3898 -19.3879 -19.3417 -19.3383 -17.8937 -17.8937 -7.8591 -7.8587 -4.4558 -4.4535 -4.4171 -4.4167 -4.2434 -4.2408 0.1886 0.1903 1.2810 1.2827 2.1074 2.1080 5.5795 5.5802 10.4441 10.4448 10.6938 10.6950 11.3738 11.3752 k = 0.4452 0.6270 0.1098 ( 3294 PWs) bands (ev): -47.4755 -47.4755 -22.5812 -22.5811 -19.5555 -19.5541 -19.3902 -19.3884 -19.3413 -19.3382 -17.8936 -17.8936 -7.8636 -7.8632 -4.4424 -4.4401 -4.4164 -4.4160 -4.2467 -4.2442 0.2015 0.2030 1.2835 1.2851 2.1058 2.1064 5.5982 5.5988 10.3997 10.4003 10.6743 10.6753 11.3397 11.3410 k = 0.4506 0.6222 0.0988 ( 3298 PWs) bands (ev): -47.4755 -47.4755 -22.5814 -22.5813 -19.5560 -19.5548 -19.3905 -19.3889 -19.3410 -19.3382 -17.8934 -17.8934 -7.8677 -7.8674 -4.4300 -4.4278 -4.4157 -4.4153 -4.2497 -4.2473 0.2133 0.2147 1.2858 1.2872 2.1044 2.1049 5.6154 5.6160 10.3587 10.3592 10.6563 10.6572 11.3087 11.3098 k = 0.4561 0.6175 0.0878 ( 3302 PWs) bands (ev): -47.4756 -47.4756 -22.5817 -22.5816 -19.5565 -19.5554 -19.3908 -19.3893 -19.3407 -19.3382 -17.8933 -17.8933 -7.8714 -7.8711 -4.4197 -4.4179 -4.4137 -4.4137 -4.2524 -4.2501 0.2240 0.2253 1.2879 1.2891 2.1031 2.1036 5.6311 5.6316 10.3214 10.3218 10.6400 10.6408 11.2807 11.2817 k = 0.4616 0.6128 0.0768 ( 3302 PWs) bands (ev): -47.4756 -47.4756 -22.5819 -22.5818 -19.5569 -19.5559 -19.3910 -19.3897 -19.3403 -19.3382 -17.8932 -17.8932 -7.8746 -7.8744 -4.4158 -4.4156 -4.4068 -4.4054 -4.2548 -4.2527 0.2337 0.2349 1.2897 1.2908 2.1019 2.1023 5.6452 5.6456 10.2879 10.2883 10.6254 10.6261 11.2558 11.2567 k = 0.4671 0.6080 0.0659 ( 3298 PWs) bands (ev): -47.4756 -47.4756 -22.5821 -22.5820 -19.5573 -19.5564 -19.3912 -19.3901 -19.3400 -19.3381 -17.8931 -17.8931 -7.8775 -7.8773 -4.4150 -4.4150 -4.3981 -4.3966 -4.2569 -4.2550 0.2422 0.2432 1.2912 1.2922 2.1008 2.1012 5.6576 5.6580 10.2586 10.2589 10.6127 10.6133 11.2342 11.2350 k = 0.4726 0.6033 0.0549 ( 3294 PWs) bands (ev): -47.4756 -47.4756 -22.5822 -22.5822 -19.5575 -19.5568 -19.3913 -19.3904 -19.3397 -19.3381 -17.8930 -17.8930 -7.8799 -7.8797 -4.4146 -4.4146 -4.3904 -4.3891 -4.2587 -4.2570 0.2495 0.2503 1.2926 1.2934 2.1000 2.1003 5.6682 5.6685 10.2334 10.2337 10.6018 10.6023 11.2158 11.2164 k = 0.4781 0.5986 0.0439 ( 3294 PWs) bands (ev): -47.4756 -47.4756 -22.5823 -22.5823 -19.5578 -19.5572 -19.3914 -19.3906 -19.3394 -19.3382 -17.8929 -17.8929 -7.8819 -7.8818 -4.4144 -4.4143 -4.3839 -4.3828 -4.2601 -4.2587 0.2555 0.2562 1.2937 1.2944 2.0992 2.0995 5.6770 5.6772 10.2127 10.2129 10.5928 10.5932 11.2007 11.2012 k = 0.4835 0.5938 0.0329 ( 3292 PWs) bands (ev): -47.4756 -47.4756 -22.5824 -22.5824 -19.5579 -19.5575 -19.3915 -19.3909 -19.3392 -19.3382 -17.8929 -17.8929 -7.8835 -7.8834 -4.4141 -4.4141 -4.3788 -4.3779 -4.2612 -4.2601 0.2603 0.2608 1.2946 1.2951 2.0986 2.0988 5.6839 5.6840 10.1965 10.1966 10.5858 10.5861 11.1889 11.1893 k = 0.4890 0.5891 0.0220 ( 3296 PWs) bands (ev): -47.4756 -47.4756 -22.5825 -22.5825 -19.5580 -19.5578 -19.3915 -19.3911 -19.3390 -19.3383 -17.8928 -17.8928 -7.8846 -7.8845 -4.4140 -4.4140 -4.3751 -4.3745 -4.2619 -4.2612 0.2637 0.2640 1.2952 1.2955 2.0983 2.0984 5.6888 5.6890 10.1848 10.1849 10.5808 10.5810 11.1805 11.1808 k = 0.4945 0.5844 0.0110 ( 3296 PWs) bands (ev): -47.4756 -47.4756 -22.5825 -22.5825 -19.5581 -19.5579 -19.3914 -19.3913 -19.3388 -19.3385 -17.8928 -17.8928 -7.8852 -7.8852 -4.4139 -4.4139 -4.3727 -4.3724 -4.2623 -4.2619 0.2658 0.2659 1.2956 1.2958 2.0980 2.0981 5.6918 5.6919 10.1778 10.1778 10.5778 10.5779 11.1755 11.1756 k = 0.5000 0.5796-0.0000 ( 3292 PWs) bands (ev): -47.4756 -47.4756 -22.5826 -22.5826 -19.5580 -19.5580 -19.3914 -19.3914 -19.3386 -19.3386 -17.8928 -17.8928 -7.8855 -7.8855 -4.4139 -4.4139 -4.3718 -4.3718 -4.2623 -4.2623 0.2665 0.2665 1.2958 1.2958 2.0980 2.0980 5.6929 5.6929 10.1755 10.1755 10.5769 10.5769 11.1739 11.1739 k = 0.5000 0.5796-0.0000 ( 3292 PWs) bands (ev): -47.4756 -47.4756 -22.5826 -22.5826 -19.5580 -19.5580 -19.3914 -19.3914 -19.3386 -19.3386 -17.8928 -17.8928 -7.8855 -7.8855 -4.4139 -4.4139 -4.3718 -4.3718 -4.2623 -4.2623 0.2665 0.2665 1.2958 1.2958 2.0980 2.0980 5.6929 5.6929 10.1755 10.1755 10.5769 10.5769 11.1739 11.1739 k = 0.4912 0.5695-0.0000 ( 3292 PWs) bands (ev): -47.4756 -47.4756 -22.5826 -22.5826 -19.5580 -19.5580 -19.3913 -19.3913 -19.3386 -19.3386 -17.8928 -17.8928 -7.8853 -7.8853 -4.4141 -4.4141 -4.3717 -4.3717 -4.2623 -4.2623 0.2663 0.2663 1.2954 1.2954 2.0979 2.0979 5.6925 5.6925 10.1695 10.1695 10.5783 10.5783 11.1757 11.1757 k = 0.4825 0.5593-0.0000 ( 3294 PWs) bands (ev): -47.4756 -47.4756 -22.5828 -22.5828 -19.5579 -19.5579 -19.3912 -19.3912 -19.3385 -19.3385 -17.8926 -17.8926 -7.8849 -7.8849 -4.4147 -4.4147 -4.3712 -4.3712 -4.2622 -4.2622 0.2657 0.2657 1.2942 1.2942 2.0977 2.0977 5.6915 5.6915 10.1519 10.1519 10.5824 10.5824 11.1813 11.1813 k = 0.4737 0.5491-0.0000 ( 3290 PWs) bands (ev): -47.4756 -47.4756 -22.5832 -22.5832 -19.5577 -19.5577 -19.3910 -19.3910 -19.3383 -19.3383 -17.8924 -17.8924 -7.8843 -7.8843 -4.4156 -4.4156 -4.3703 -4.3703 -4.2621 -4.2621 0.2646 0.2646 1.2921 1.2921 2.0973 2.0973 5.6898 5.6898 10.1239 10.1239 10.5890 10.5890 11.1905 11.1905 k = 0.4649 0.5390-0.0000 ( 3294 PWs) bands (ev): -47.4757 -47.4757 -22.5837 -22.5837 -19.5575 -19.5575 -19.3908 -19.3908 -19.3382 -19.3382 -17.8922 -17.8922 -7.8833 -7.8833 -4.4170 -4.4170 -4.3691 -4.3691 -4.2620 -4.2620 0.2630 0.2630 1.2892 1.2892 2.0967 2.0967 5.6874 5.6874 10.0869 10.0869 10.5975 10.5975 11.2033 11.2033 k = 0.4561 0.5288-0.0000 ( 3298 PWs) bands (ev): -47.4757 -47.4757 -22.5843 -22.5843 -19.5572 -19.5572 -19.3906 -19.3906 -19.3380 -19.3380 -17.8918 -17.8918 -7.8821 -7.8821 -4.4188 -4.4188 -4.3676 -4.3676 -4.2619 -4.2619 0.2611 0.2611 1.2856 1.2856 2.0960 2.0960 5.6844 5.6844 10.0427 10.0427 10.6079 10.6079 11.2199 11.2199 k = 0.4474 0.5186-0.0000 ( 3300 PWs) bands (ev): -47.4757 -47.4757 -22.5851 -22.5851 -19.5568 -19.5568 -19.3902 -19.3902 -19.3377 -19.3377 -17.8914 -17.8914 -7.8806 -7.8806 -4.4210 -4.4210 -4.3658 -4.3658 -4.2617 -4.2617 0.2587 0.2587 1.2811 1.2811 2.0951 2.0951 5.6807 5.6807 9.9926 9.9926 10.6199 10.6199 11.2401 11.2401 k = 0.4386 0.5085-0.0000 ( 3296 PWs) bands (ev): -47.4757 -47.4757 -22.5860 -22.5860 -19.5563 -19.5563 -19.3898 -19.3898 -19.3374 -19.3374 -17.8909 -17.8909 -7.8789 -7.8789 -4.4235 -4.4235 -4.3636 -4.3636 -4.2616 -4.2616 0.2559 0.2559 1.2758 1.2758 2.0940 2.0940 5.6763 5.6763 9.9380 9.9380 10.6335 10.6335 11.2639 11.2639 k = 0.4298 0.4983-0.0000 ( 3300 PWs) bands (ev): -47.4757 -47.4757 -22.5870 -22.5870 -19.5559 -19.5559 -19.3893 -19.3893 -19.3371 -19.3371 -17.8904 -17.8904 -7.8768 -7.8768 -4.4264 -4.4264 -4.3611 -4.3611 -4.2614 -4.2614 0.2527 0.2527 1.2698 1.2698 2.0927 2.0927 5.6714 5.6714 9.8800 9.8800 10.6486 10.6486 11.2912 11.2912 k = 0.4211 0.4881-0.0000 ( 3308 PWs) bands (ev): -47.4757 -47.4757 -22.5881 -22.5881 -19.5553 -19.5553 -19.3889 -19.3889 -19.3367 -19.3367 -17.8897 -17.8897 -7.8744 -7.8744 -4.4297 -4.4297 -4.3583 -4.3583 -4.2612 -4.2612 0.2490 0.2490 1.2631 1.2631 2.0912 2.0912 5.6658 5.6658 9.8196 9.8196 10.6654 10.6654 11.3222 11.3222 k = 0.4123 0.4780-0.0000 ( 3300 PWs) bands (ev): -47.4757 -47.4757 -22.5893 -22.5893 -19.5547 -19.5547 -19.3883 -19.3883 -19.3362 -19.3362 -17.8890 -17.8890 -7.8718 -7.8718 -4.4333 -4.4333 -4.3552 -4.3552 -4.2610 -4.2610 0.2451 0.2451 1.2557 1.2557 2.0894 2.0894 5.6597 5.6597 9.7575 9.7575 10.6839 10.6839 11.3567 11.3567 k = 0.4035 0.4678-0.0000 ( 3300 PWs) bands (ev): -47.4757 -47.4757 -22.5907 -22.5907 -19.5540 -19.5540 -19.3876 -19.3876 -19.3358 -19.3358 -17.8883 -17.8883 -7.8688 -7.8688 -4.4373 -4.4373 -4.3518 -4.3518 -4.2608 -4.2608 0.2407 0.2407 1.2476 1.2476 2.0873 2.0873 5.6529 5.6529 9.6942 9.6942 10.7041 10.7041 11.3946 11.3946 k = 0.3947 0.4576-0.0000 ( 3302 PWs) bands (ev): -47.4757 -47.4757 -22.5921 -22.5921 -19.5533 -19.5533 -19.3870 -19.3870 -19.3353 -19.3353 -17.8874 -17.8874 -7.8655 -7.8655 -4.4416 -4.4416 -4.3481 -4.3481 -4.2606 -4.2606 0.2360 0.2360 1.2388 1.2388 2.0850 2.0850 5.6457 5.6457 9.6304 9.6304 10.7261 10.7261 11.4361 11.4361 k = 0.3860 0.4474-0.0000 ( 3306 PWs) bands (ev): -47.4757 -47.4757 -22.5936 -22.5936 -19.5526 -19.5526 -19.3863 -19.3863 -19.3348 -19.3348 -17.8865 -17.8865 -7.8619 -7.8619 -4.4462 -4.4462 -4.3441 -4.3441 -4.2604 -4.2604 0.2309 0.2309 1.2294 1.2294 2.0823 2.0823 5.6378 5.6378 9.5665 9.5665 10.7500 10.7500 11.4809 11.4809 k = 0.3772 0.4373-0.0000 ( 3306 PWs) bands (ev): -47.4757 -47.4757 -22.5953 -22.5953 -19.5518 -19.5518 -19.3856 -19.3856 -19.3343 -19.3343 -17.8855 -17.8855 -7.8579 -7.8579 -4.4512 -4.4512 -4.3399 -4.3399 -4.2602 -4.2602 0.2256 0.2256 1.2195 1.2195 2.0792 2.0792 5.6295 5.6295 9.5027 9.5027 10.7757 10.7757 11.5291 11.5291 k = 0.3684 0.4271-0.0000 ( 3306 PWs) bands (ev): -47.4757 -47.4757 -22.5969 -22.5969 -19.5510 -19.5510 -19.3849 -19.3849 -19.3338 -19.3338 -17.8845 -17.8845 -7.8536 -7.8536 -4.4564 -4.4564 -4.3354 -4.3354 -4.2600 -4.2600 0.2199 0.2199 1.2089 1.2089 2.0758 2.0758 5.6207 5.6207 9.4394 9.4394 10.8034 10.8034 11.5806 11.5806 k = 0.3596 0.4169-0.0000 ( 3306 PWs) bands (ev): -47.4757 -47.4757 -22.5987 -22.5987 -19.5501 -19.5501 -19.3841 -19.3841 -19.3333 -19.3333 -17.8833 -17.8833 -7.8489 -7.8489 -4.4619 -4.4619 -4.3307 -4.3307 -4.2599 -4.2599 0.2139 0.2139 1.1979 1.1979 2.0720 2.0720 5.6115 5.6115 9.3768 9.3768 10.8331 10.8331 11.6353 11.6353 k = 0.3509 0.4068-0.0000 ( 3302 PWs) bands (ev): -47.4758 -47.4758 -22.6005 -22.6005 -19.5492 -19.5492 -19.3833 -19.3833 -19.3327 -19.3327 -17.8822 -17.8822 -7.8439 -7.8439 -4.4677 -4.4677 -4.3257 -4.3257 -4.2598 -4.2598 0.2077 0.2077 1.1864 1.1864 2.0679 2.0679 5.6018 5.6018 9.3151 9.3151 10.8647 10.8647 11.6933 11.6933 k = 0.3421 0.3966-0.0000 ( 3302 PWs) bands (ev): -47.4758 -47.4758 -22.6024 -22.6024 -19.5483 -19.5483 -19.3825 -19.3825 -19.3322 -19.3322 -17.8809 -17.8809 -7.8386 -7.8386 -4.4737 -4.4737 -4.3206 -4.3206 -4.2597 -4.2597 0.2012 0.2012 1.1745 1.1745 2.0632 2.0632 5.5917 5.5917 9.2544 9.2544 10.8983 10.8983 11.7544 11.7544 k = 0.3333 0.3864-0.0000 ( 3304 PWs) bands (ev): -47.4758 -47.4758 -22.6043 -22.6043 -19.5474 -19.5474 -19.3817 -19.3817 -19.3317 -19.3317 -17.8796 -17.8796 -7.8329 -7.8329 -4.4799 -4.4799 -4.3152 -4.3152 -4.2597 -4.2597 0.1945 0.1945 1.1621 1.1621 2.0581 2.0581 5.5813 5.5813 9.1950 9.1950 10.9340 10.9340 11.8185 11.8185 k = 0.3246 0.3763-0.0000 ( 3300 PWs) bands (ev): -47.4758 -47.4758 -22.6062 -22.6062 -19.5464 -19.5464 -19.3809 -19.3809 -19.3312 -19.3312 -17.8783 -17.8783 -7.8269 -7.8269 -4.4863 -4.4863 -4.3097 -4.3097 -4.2597 -4.2597 0.1876 0.1876 1.1495 1.1495 2.0526 2.0526 5.5706 5.5706 9.1369 9.1369 10.9717 10.9717 11.8857 11.8857 k = 0.3158 0.3661-0.0000 ( 3306 PWs) bands (ev): -47.4758 -47.4758 -22.6082 -22.6082 -19.5455 -19.5455 -19.3801 -19.3801 -19.3307 -19.3307 -17.8769 -17.8769 -7.8205 -7.8205 -4.4930 -4.4930 -4.3040 -4.3040 -4.2597 -4.2597 0.1805 0.1805 1.1365 1.1365 2.0465 2.0465 5.5595 5.5595 9.0803 9.0803 11.0115 11.0115 11.9558 11.9558 k = 0.3070 0.3559-0.0000 ( 3310 PWs) bands (ev): -47.4758 -47.4758 -22.6101 -22.6101 -19.5446 -19.5446 -19.3792 -19.3792 -19.3303 -19.3303 -17.8755 -17.8755 -7.8137 -7.8137 -4.4998 -4.4998 -4.2982 -4.2982 -4.2597 -4.2597 0.1732 0.1732 1.1232 1.1232 2.0400 2.0400 5.5482 5.5482 9.0252 9.0252 11.0533 11.0533 12.0287 12.0287 k = 0.2982 0.3458-0.0000 ( 3312 PWs) bands (ev): -47.4758 -47.4758 -22.6121 -22.6121 -19.5437 -19.5437 -19.3784 -19.3784 -19.3299 -19.3299 -17.8740 -17.8740 -7.8067 -7.8067 -4.5067 -4.5067 -4.2922 -4.2922 -4.2598 -4.2598 0.1658 0.1658 1.1098 1.1098 2.0329 2.0329 5.5367 5.5367 8.9718 8.9718 11.0971 11.0971 12.1044 12.1044 k = 0.2895 0.3356-0.0000 ( 3320 PWs) bands (ev): -47.4759 -47.4759 -22.6141 -22.6141 -19.5428 -19.5428 -19.3776 -19.3776 -19.3296 -19.3296 -17.8725 -17.8725 -7.7993 -7.7993 -4.5139 -4.5139 -4.2863 -4.2863 -4.2598 -4.2598 0.1583 0.1583 1.0961 1.0961 2.0253 2.0253 5.5249 5.5249 8.9200 8.9200 11.1429 11.1429 12.1828 12.1828 k = 0.2807 0.3254-0.0000 ( 3324 PWs) bands (ev): -47.4759 -47.4759 -22.6161 -22.6161 -19.5419 -19.5419 -19.3768 -19.3768 -19.3292 -19.3292 -17.8709 -17.8709 -7.7916 -7.7916 -4.5210 -4.5210 -4.2804 -4.2804 -4.2597 -4.2597 0.1507 0.1507 1.0823 1.0823 2.0173 2.0173 5.5130 5.5130 8.8700 8.8700 11.1907 11.1907 12.2638 12.2638 k = 0.2719 0.3152-0.0000 ( 3320 PWs) bands (ev): -47.4759 -47.4759 -22.6180 -22.6180 -19.5410 -19.5410 -19.3760 -19.3760 -19.3289 -19.3289 -17.8693 -17.8693 -7.7836 -7.7836 -4.5283 -4.5283 -4.2747 -4.2747 -4.2593 -4.2593 0.1430 0.1430 1.0684 1.0684 2.0087 2.0087 5.5010 5.5010 8.8218 8.8218 11.2404 11.2404 12.3473 12.3473 k = 0.2632 0.3051-0.0000 ( 3324 PWs) bands (ev): -47.4759 -47.4759 -22.6200 -22.6200 -19.5401 -19.5401 -19.3752 -19.3752 -19.3286 -19.3286 -17.8677 -17.8677 -7.7753 -7.7753 -4.5357 -4.5357 -4.2699 -4.2699 -4.2581 -4.2581 0.1353 0.1353 1.0545 1.0545 1.9997 1.9997 5.4889 5.4889 8.7754 8.7754 11.2921 11.2921 12.4332 12.4332 k = 0.2544 0.2949-0.0000 ( 3324 PWs) bands (ev): -47.4759 -47.4759 -22.6219 -22.6219 -19.5393 -19.5393 -19.3744 -19.3744 -19.3284 -19.3284 -17.8660 -17.8660 -7.7667 -7.7667 -4.5430 -4.5430 -4.2668 -4.2668 -4.2552 -4.2552 0.1276 0.1276 1.0406 1.0406 1.9903 1.9903 5.4768 5.4768 8.7309 8.7309 11.3456 11.3456 12.5214 12.5214 k = 0.2456 0.2847-0.0000 ( 3320 PWs) bands (ev): -47.4759 -47.4759 -22.6238 -22.6238 -19.5384 -19.5384 -19.3736 -19.3736 -19.3282 -19.3282 -17.8644 -17.8644 -7.7580 -7.7580 -4.5504 -4.5504 -4.2655 -4.2655 -4.2504 -4.2504 0.1198 0.1198 1.0267 1.0267 1.9804 1.9804 5.4646 5.4646 8.6883 8.6883 11.4009 11.4009 12.6117 12.6117 k = 0.2368 0.2746-0.0000 ( 3318 PWs) bands (ev): -47.4759 -47.4759 -22.6256 -22.6256 -19.5376 -19.5376 -19.3728 -19.3728 -19.3281 -19.3281 -17.8627 -17.8627 -7.7490 -7.7490 -4.5578 -4.5578 -4.2653 -4.2653 -4.2446 -4.2446 0.1121 0.1121 1.0129 1.0129 1.9700 1.9700 5.4525 5.4525 8.6476 8.6476 11.4579 11.4579 12.7042 12.7042 k = 0.2281 0.2644-0.0000 ( 3320 PWs) bands (ev): -47.4759 -47.4759 -22.6274 -22.6274 -19.5369 -19.5369 -19.3720 -19.3720 -19.3280 -19.3280 -17.8610 -17.8610 -7.7398 -7.7398 -4.5652 -4.5652 -4.2654 -4.2654 -4.2385 -4.2385 0.1044 0.1044 0.9992 0.9992 1.9593 1.9593 5.4404 5.4404 8.6088 8.6088 11.5166 11.5166 12.7985 12.7985 k = 0.2193 0.2542-0.0000 ( 3320 PWs) bands (ev): -47.4760 -47.4760 -22.6291 -22.6291 -19.5361 -19.5361 -19.3713 -19.3713 -19.3280 -19.3280 -17.8593 -17.8593 -7.7305 -7.7305 -4.5725 -4.5725 -4.2659 -4.2659 -4.2322 -4.2322 0.0969 0.0969 0.9856 0.9856 1.9482 1.9482 5.4284 5.4284 8.5719 8.5719 11.5768 11.5768 12.8947 12.8947 k = 0.2105 0.2441-0.0000 ( 3324 PWs) bands (ev): -47.4760 -47.4760 -22.6308 -22.6308 -19.5354 -19.5354 -19.3706 -19.3706 -19.3280 -19.3280 -17.8576 -17.8576 -7.7210 -7.7210 -4.5798 -4.5798 -4.2664 -4.2664 -4.2259 -4.2259 0.0894 0.0894 0.9723 0.9723 1.9368 1.9368 5.4166 5.4166 8.5369 8.5369 11.6386 11.6386 12.9925 12.9925 k = 0.2018 0.2339-0.0000 ( 3328 PWs) bands (ev): -47.4760 -47.4760 -22.6324 -22.6324 -19.5348 -19.5348 -19.3699 -19.3699 -19.3281 -19.3281 -17.8559 -17.8559 -7.7115 -7.7115 -4.5870 -4.5870 -4.2670 -4.2670 -4.2197 -4.2197 0.0820 0.0820 0.9592 0.9592 1.9252 1.9252 5.4049 5.4049 8.5038 8.5038 11.7016 11.7016 13.0918 13.0918 k = 0.1930 0.2237-0.0000 ( 3332 PWs) bands (ev): -47.4760 -47.4760 -22.6340 -22.6340 -19.5342 -19.5342 -19.3692 -19.3692 -19.3282 -19.3282 -17.8543 -17.8543 -7.7019 -7.7019 -4.5940 -4.5940 -4.2676 -4.2676 -4.2135 -4.2135 0.0747 0.0747 0.9463 0.9463 1.9134 1.9134 5.3935 5.3935 8.4726 8.4726 11.7660 11.7660 13.1924 13.1924 k = 0.1842 0.2136-0.0000 ( 3330 PWs) bands (ev): -47.4760 -47.4760 -22.6355 -22.6355 -19.5336 -19.5336 -19.3686 -19.3686 -19.3283 -19.3283 -17.8526 -17.8526 -7.6924 -7.6924 -4.6009 -4.6009 -4.2683 -4.2683 -4.2073 -4.2073 0.0677 0.0677 0.9338 0.9338 1.9014 1.9014 5.3822 5.3822 8.4432 8.4432 11.8315 11.8315 13.2940 13.2940 k = 0.1754 0.2034-0.0000 ( 3338 PWs) bands (ev): -47.4760 -47.4760 -22.6370 -22.6370 -19.5331 -19.5331 -19.3680 -19.3680 -19.3286 -19.3286 -17.8510 -17.8510 -7.6828 -7.6828 -4.6077 -4.6077 -4.2691 -4.2691 -4.2014 -4.2014 0.0608 0.0608 0.9216 0.9216 1.8893 1.8893 5.3712 5.3712 8.4156 8.4156 11.8979 11.8979 13.3966 13.3966 k = 0.1667 0.1932-0.0000 ( 3338 PWs) bands (ev): -47.4761 -47.4761 -22.6383 -22.6383 -19.5325 -19.5325 -19.3673 -19.3673 -19.3288 -19.3288 -17.8494 -17.8494 -7.6734 -7.6734 -4.6143 -4.6143 -4.2698 -4.2698 -4.1955 -4.1955 0.0541 0.0541 0.9098 0.9098 1.8772 1.8772 5.3606 5.3606 8.3898 8.3898 11.9652 11.9652 13.4998 13.4998 k = 0.1579 0.1830-0.0000 ( 3338 PWs) bands (ev): -47.4761 -47.4761 -22.6396 -22.6396 -19.5321 -19.5321 -19.3668 -19.3668 -19.3290 -19.3290 -17.8478 -17.8478 -7.6641 -7.6641 -4.6207 -4.6207 -4.2705 -4.2705 -4.1898 -4.1898 0.0476 0.0476 0.8984 0.8984 1.8652 1.8652 5.3503 5.3503 8.3658 8.3658 12.0331 12.0331 13.6034 13.6034 k = 0.1491 0.1729-0.0000 ( 3333 PWs) bands (ev): -47.4761 -47.4761 -22.6409 -22.6409 -19.5316 -19.5316 -19.3662 -19.3662 -19.3292 -19.3292 -17.8463 -17.8463 -7.6549 -7.6549 -4.6268 -4.6268 -4.2713 -4.2713 -4.1843 -4.1843 0.0414 0.0414 0.8875 0.8875 1.8533 1.8533 5.3403 5.3403 8.3434 8.3434 12.1015 12.1015 13.7070 13.7070 k = 0.1404 0.1627-0.0000 ( 3341 PWs) bands (ev): -47.4761 -47.4761 -22.6420 -22.6420 -19.5312 -19.5312 -19.3657 -19.3657 -19.3295 -19.3295 -17.8449 -17.8449 -7.6460 -7.6460 -4.6328 -4.6328 -4.2720 -4.2720 -4.1790 -4.1790 0.0354 0.0354 0.8770 0.8770 1.8415 1.8415 5.3308 5.3308 8.3227 8.3227 12.1701 12.1701 13.8102 13.8102 k = 0.1316 0.1525-0.0000 ( 3337 PWs) bands (ev): -47.4761 -47.4761 -22.6431 -22.6431 -19.5309 -19.5309 -19.3652 -19.3652 -19.3298 -19.3298 -17.8435 -17.8435 -7.6373 -7.6373 -4.6384 -4.6384 -4.2728 -4.2728 -4.1739 -4.1739 0.0297 0.0297 0.8670 0.8670 1.8300 1.8300 5.3216 5.3216 8.3037 8.3037 12.2387 12.2387 13.9127 13.9127 k = 0.1228 0.1424-0.0000 ( 3341 PWs) bands (ev): -47.4761 -47.4761 -22.6441 -22.6441 -19.5305 -19.5305 -19.3647 -19.3647 -19.3301 -19.3301 -17.8421 -17.8421 -7.6289 -7.6289 -4.6438 -4.6438 -4.2735 -4.2735 -4.1690 -4.1690 0.0243 0.0243 0.8575 0.8575 1.8188 1.8188 5.3130 5.3130 8.2861 8.2861 12.3070 12.3070 14.0139 14.0139 k = 0.1140 0.1322-0.0000 ( 3337 PWs) bands (ev): -47.4761 -47.4761 -22.6451 -22.6451 -19.5302 -19.5302 -19.3643 -19.3643 -19.3304 -19.3304 -17.8408 -17.8408 -7.6209 -7.6209 -4.6489 -4.6489 -4.2742 -4.2742 -4.1644 -4.1644 0.0191 0.0191 0.8486 0.8486 1.8080 1.8080 5.3048 5.3048 8.2701 8.2701 12.3747 12.3747 14.1132 14.1132 k = 0.1053 0.1220-0.0000 ( 3335 PWs) bands (ev): -47.4761 -47.4761 -22.6460 -22.6460 -19.5300 -19.5300 -19.3639 -19.3639 -19.3307 -19.3307 -17.8396 -17.8396 -7.6132 -7.6132 -4.6537 -4.6537 -4.2748 -4.2748 -4.1601 -4.1601 0.0144 0.0144 0.8402 0.8402 1.7977 1.7977 5.2971 5.2971 8.2555 8.2555 12.4415 12.4415 14.2098 14.2098 k = 0.0965 0.1119-0.0000 ( 3327 PWs) bands (ev): -47.4761 -47.4761 -22.6467 -22.6467 -19.5297 -19.5297 -19.3635 -19.3635 -19.3309 -19.3309 -17.8385 -17.8385 -7.6060 -7.6060 -4.6582 -4.6582 -4.2754 -4.2754 -4.1561 -4.1561 0.0099 0.0099 0.8325 0.8325 1.7879 1.7879 5.2899 5.2899 8.2423 8.2423 12.5069 12.5069 14.3027 14.3027 k = 0.0877 0.1017-0.0000 ( 3331 PWs) bands (ev): -47.4761 -47.4761 -22.6475 -22.6475 -19.5295 -19.5295 -19.3632 -19.3632 -19.3312 -19.3312 -17.8375 -17.8375 -7.5993 -7.5993 -4.6623 -4.6623 -4.2761 -4.2761 -4.1523 -4.1523 0.0058 0.0058 0.8253 0.8253 1.7787 1.7787 5.2833 5.2833 8.2305 8.2305 12.5705 12.5705 14.3476 14.3476 k = 0.0789 0.0915-0.0000 ( 3325 PWs) bands (ev): -47.4761 -47.4761 -22.6481 -22.6481 -19.5293 -19.5293 -19.3628 -19.3628 -19.3315 -19.3315 -17.8365 -17.8365 -7.5931 -7.5931 -4.6661 -4.6661 -4.2766 -4.2766 -4.1489 -4.1489 0.0021 0.0021 0.8188 0.8188 1.7701 1.7701 5.2772 5.2772 8.2199 8.2199 12.6317 12.6317 14.3334 14.3334 k = 0.0702 0.0814-0.0000 ( 3319 PWs) bands (ev): -47.4761 -47.4761 -22.6487 -22.6487 -19.5291 -19.5291 -19.3625 -19.3625 -19.3317 -19.3317 -17.8356 -17.8356 -7.5874 -7.5874 -4.6695 -4.6695 -4.2771 -4.2771 -4.1458 -4.1458 -0.0013 -0.0013 0.8129 0.8129 1.7624 1.7624 5.2718 5.2718 8.2106 8.2106 12.6899 12.6899 14.3171 14.3171 k = 0.0614 0.0712-0.0000 ( 3323 PWs) bands (ev): -47.4761 -47.4761 -22.6492 -22.6492 -19.5290 -19.5290 -19.3623 -19.3623 -19.3320 -19.3320 -17.8348 -17.8348 -7.5823 -7.5823 -4.6725 -4.6725 -4.2775 -4.2775 -4.1430 -4.1430 -0.0044 -0.0044 0.8077 0.8077 1.7553 1.7553 5.2669 5.2669 8.2025 8.2025 12.7445 12.7445 14.2997 14.2997 k = 0.0526 0.0610-0.0000 ( 3323 PWs) bands (ev): -47.4762 -47.4762 -22.6497 -22.6497 -19.5289 -19.5289 -19.3621 -19.3621 -19.3322 -19.3322 -17.8341 -17.8341 -7.5779 -7.5779 -4.6752 -4.6752 -4.2779 -4.2779 -4.1406 -4.1406 -0.0070 -0.0070 0.8031 0.8031 1.7491 1.7491 5.2627 5.2627 8.1956 8.1956 12.7946 12.7946 14.2820 14.2820 k = 0.0439 0.0508-0.0000 ( 3327 PWs) bands (ev): -47.4762 -47.4762 -22.6500 -22.6500 -19.5288 -19.5288 -19.3620 -19.3620 -19.3323 -19.3323 -17.8336 -17.8336 -7.5740 -7.5740 -4.6774 -4.6774 -4.2783 -4.2783 -4.1385 -4.1385 -0.0092 -0.0092 0.7992 0.7992 1.7438 1.7438 5.2591 5.2591 8.1898 8.1898 12.8393 12.8393 14.2646 14.2646 k = 0.0351 0.0407-0.0000 ( 3327 PWs) bands (ev): -47.4762 -47.4762 -22.6503 -22.6503 -19.5287 -19.5287 -19.3618 -19.3618 -19.3325 -19.3325 -17.8331 -17.8331 -7.5709 -7.5709 -4.6793 -4.6793 -4.2785 -4.2785 -4.1369 -4.1369 -0.0111 -0.0111 0.7960 0.7960 1.7394 1.7394 5.2561 5.2561 8.1851 8.1851 12.8778 12.8778 14.2487 14.2487 k = 0.0263 0.0305-0.0000 ( 3327 PWs) bands (ev): -47.4762 -47.4762 -22.6506 -22.6506 -19.5287 -19.5287 -19.3617 -19.3617 -19.3326 -19.3326 -17.8327 -17.8327 -7.5684 -7.5684 -4.6808 -4.6808 -4.2788 -4.2788 -4.1355 -4.1355 -0.0125 -0.0125 0.7936 0.7936 1.7359 1.7359 5.2538 5.2538 8.1815 8.1815 12.9090 12.9090 14.2350 14.2350 k = 0.0175 0.0203-0.0000 ( 3313 PWs) bands (ev): -47.4762 -47.4762 -22.6507 -22.6507 -19.5286 -19.5286 -19.3616 -19.3616 -19.3326 -19.3326 -17.8324 -17.8324 -7.5666 -7.5666 -4.6818 -4.6818 -4.2789 -4.2789 -4.1346 -4.1346 -0.0135 -0.0135 0.7918 0.7918 1.7334 1.7334 5.2521 5.2521 8.1789 8.1789 12.9320 12.9320 14.2244 14.2244 k = 0.0088 0.0102-0.0000 ( 3317 PWs) bands (ev): -47.4762 -47.4762 -22.6508 -22.6508 -19.5286 -19.5286 -19.3615 -19.3615 -19.3327 -19.3327 -17.8323 -17.8323 -7.5655 -7.5655 -4.6824 -4.6824 -4.2790 -4.2790 -4.1340 -4.1340 -0.0142 -0.0142 0.7907 0.7907 1.7319 1.7319 5.2511 5.2511 8.1774 8.1774 12.9462 12.9462 14.2177 14.2177 k = 0.0000 0.0000 0.0000 ( 3317 PWs) bands (ev): -47.4762 -47.4762 -22.6509 -22.6509 -19.5286 -19.5286 -19.3615 -19.3615 -19.3327 -19.3327 -17.8322 -17.8322 -7.5652 -7.5652 -4.6826 -4.6826 -4.2790 -4.2790 -4.1338 -4.1338 -0.0144 -0.0144 0.7904 0.7904 1.7314 1.7314 5.2508 5.2508 8.1769 8.1769 12.9510 12.9510 14.2155 14.2155 k = 0.0000 0.0000 0.0000 ( 3317 PWs) bands (ev): -47.4762 -47.4762 -22.6509 -22.6509 -19.5286 -19.5286 -19.3615 -19.3615 -19.3327 -19.3327 -17.8322 -17.8322 -7.5652 -7.5652 -4.6826 -4.6826 -4.2790 -4.2790 -4.1338 -4.1338 -0.0144 -0.0144 0.7904 0.7904 1.7314 1.7314 5.2508 5.2508 8.1769 8.1769 12.9510 12.9510 14.2155 14.2155 k = 0.0085-0.0073 0.0074 ( 3309 PWs) bands (ev): -47.4761 -47.4761 -22.6508 -22.6508 -19.5285 -19.5284 -19.3615 -19.3613 -19.3327 -19.3327 -17.8325 -17.8324 -7.5647 -7.5647 -4.6856 -4.6846 -4.2770 -4.2760 -4.1340 -4.1340 -0.0142 -0.0142 0.7888 0.7892 1.7318 1.7326 5.2512 5.2512 8.1784 8.1786 12.9517 12.9523 14.2035 14.2036 k = 0.0170-0.0147 0.0148 ( 3313 PWs) bands (ev): -47.4762 -47.4762 -22.6507 -22.6507 -19.5285 -19.5283 -19.3614 -19.3611 -19.3327 -19.3327 -17.8332 -17.8331 -7.5634 -7.5634 -4.6933 -4.6915 -4.2702 -4.2682 -4.1346 -4.1345 -0.0137 -0.0137 0.7843 0.7852 1.7338 1.7353 5.2525 5.2525 8.1832 8.1836 12.9545 12.9557 14.1702 14.1705 k = 0.0255-0.0220 0.0222 ( 3313 PWs) bands (ev): -47.4761 -47.4761 -22.6505 -22.6505 -19.5283 -19.5280 -19.3612 -19.3608 -19.3328 -19.3327 -17.8344 -17.8342 -7.5613 -7.5612 -4.7052 -4.7027 -4.2592 -4.2563 -4.1355 -4.1354 -0.0129 -0.0128 0.7772 0.7785 1.7374 1.7396 5.2546 5.2546 8.1912 8.1919 12.9590 12.9608 14.1213 14.1218 k = 0.0340-0.0293 0.0296 ( 3317 PWs) bands (ev): -47.4762 -47.4762 -22.6503 -22.6502 -19.5281 -19.5277 -19.3609 -19.3604 -19.3329 -19.3328 -17.8361 -17.8358 -7.5583 -7.5583 -4.7205 -4.7174 -4.2447 -4.2411 -4.1368 -4.1367 -0.0117 -0.0117 0.7675 0.7691 1.7424 1.7453 5.2575 5.2575 8.2024 8.2033 12.9650 12.9674 14.0622 14.0629 k = 0.0425-0.0366 0.0370 ( 3327 PWs) bands (ev): -47.4762 -47.4762 -22.6499 -22.6499 -19.5278 -19.5274 -19.3605 -19.3599 -19.3330 -19.3329 -17.8382 -17.8379 -7.5546 -7.5545 -4.7383 -4.7348 -4.2274 -4.2233 -4.1384 -4.1383 -0.0102 -0.0102 0.7553 0.7573 1.7489 1.7524 5.2613 5.2613 8.2167 8.2178 12.9719 12.9750 13.9968 13.9979 k = 0.0510-0.0440 0.0444 ( 3325 PWs) bands (ev): -47.4762 -47.4762 -22.6495 -22.6495 -19.5274 -19.5270 -19.3600 -19.3593 -19.3330 -19.3330 -17.8408 -17.8404 -7.5502 -7.5501 -4.7580 -4.7541 -4.2083 -4.2036 -4.1403 -4.1402 -0.0083 -0.0083 0.7410 0.7433 1.7567 1.7608 5.2659 5.2659 8.2340 8.2353 12.9790 12.9829 13.9280 13.9295 k = 0.0594-0.0513 0.0518 ( 3325 PWs) bands (ev): -47.4762 -47.4762 -22.6490 -22.6490 -19.5269 -19.5265 -19.3593 -19.3586 -19.3331 -19.3330 -17.8437 -17.8433 -7.5452 -7.5451 -4.7788 -4.7747 -4.1880 -4.1829 -4.1425 -4.1423 -0.0061 -0.0061 0.7248 0.7274 1.7657 1.7704 5.2713 5.2713 8.2542 8.2557 12.9855 12.9902 13.8576 13.8595 k = 0.0679-0.0586 0.0592 ( 3325 PWs) bands (ev): -47.4761 -47.4761 -22.6485 -22.6484 -19.5263 -19.5261 -19.3585 -19.3579 -19.3332 -19.3331 -17.8470 -17.8465 -7.5396 -7.5395 -4.8002 -4.7959 -4.1675 -4.1621 -4.1444 -4.1441 -0.0036 -0.0036 0.7069 0.7098 1.7758 1.7811 5.2773 5.2773 8.2771 8.2788 12.9902 12.9957 13.7870 13.7893 k = 0.0764-0.0659 0.0666 ( 3339 PWs) bands (ev): -47.4762 -47.4762 -22.6478 -22.6478 -19.5258 -19.5256 -19.3578 -19.3572 -19.3334 -19.3333 -17.8507 -17.8502 -7.5336 -7.5335 -4.8219 -4.8175 -4.1530 -4.1506 -4.1401 -4.1370 -0.0008 -0.0007 0.6876 0.6907 1.7869 1.7927 5.2842 5.2842 8.3026 8.3045 12.9916 12.9980 13.7172 13.7200 k = 0.0849-0.0733 0.0740 ( 3341 PWs) bands (ev): -47.4762 -47.4762 -22.6471 -22.6470 -19.5251 -19.5251 -19.3568 -19.3563 -19.3335 -19.3335 -17.8546 -17.8541 -7.5273 -7.5272 -4.8433 -4.8388 -4.1533 -4.1527 -4.1214 -4.1164 0.0024 0.0024 0.6674 0.6706 1.7989 1.8052 5.2917 5.2917 8.3306 8.3326 12.9882 12.9954 13.6491 13.6524 k = 0.0934-0.0806 0.0814 ( 3333 PWs) bands (ev): -47.4761 -47.4761 -22.6463 -22.6462 -19.5246 -19.5244 -19.3558 -19.3554 -19.3336 -19.3336 -17.8588 -17.8582 -7.5208 -7.5207 -4.8642 -4.8596 -4.1564 -4.1561 -4.1007 -4.0952 0.0059 0.0059 0.6463 0.6498 1.8118 1.8184 5.2999 5.2999 8.3609 8.3631 12.9783 12.9863 13.5834 13.5870 k = 0.1019-0.0879 0.0888 ( 3333 PWs) bands (ev): -47.4761 -47.4761 -22.6455 -22.6454 -19.5241 -19.5236 -19.3547 -19.3545 -19.3338 -19.3338 -17.8633 -17.8627 -7.5142 -7.5141 -4.8842 -4.8796 -4.1602 -4.1599 -4.0802 -4.0745 0.0097 0.0097 0.6249 0.6285 1.8253 1.8324 5.3087 5.3087 8.3933 8.3956 12.9604 12.9690 13.5204 13.5241 k = 0.1104-0.0952 0.0962 ( 3331 PWs) bands (ev): -47.4761 -47.4761 -22.6445 -22.6444 -19.5236 -19.5229 -19.3536 -19.3535 -19.3339 -19.3339 -17.8679 -17.8673 -7.5078 -7.5076 -4.9032 -4.8985 -4.1643 -4.1641 -4.0604 -4.0545 0.0137 0.0138 0.6033 0.6070 1.8395 1.8469 5.3181 5.3181 8.4276 8.4301 12.9334 12.9422 13.4600 13.4636 k = 0.1189-0.1026 0.1036 ( 3329 PWs) bands (ev): -47.4761 -47.4761 -22.6435 -22.6434 -19.5232 -19.5221 -19.3528 -19.3523 -19.3341 -19.3341 -17.8727 -17.8721 -7.5015 -7.5014 -4.9209 -4.9162 -4.1687 -4.1686 -4.0415 -4.0355 0.0181 0.0182 0.5819 0.5857 1.8542 1.8620 5.3280 5.3281 8.4637 8.4664 12.8968 12.9057 13.4014 13.4045 k = 0.1274-0.1099 0.1110 ( 3321 PWs) bands (ev): -47.4761 -47.4761 -22.6425 -22.6423 -19.5228 -19.5212 -19.3519 -19.3511 -19.3343 -19.3342 -17.8776 -17.8770 -7.4956 -7.4955 -4.9371 -4.9324 -4.1733 -4.1732 -4.0238 -4.0177 0.0228 0.0228 0.5610 0.5649 1.8694 1.8774 5.3385 5.3385 8.5015 8.5043 12.8510 12.8597 13.3434 13.3459 k = 0.1359-0.1172 0.1184 ( 3333 PWs) bands (ev): -47.4761 -47.4761 -22.6413 -22.6412 -19.5225 -19.5205 -19.3512 -19.3500 -19.3345 -19.3343 -17.8825 -17.8819 -7.4902 -7.4901 -4.9516 -4.9470 -4.1783 -4.1782 -4.0074 -4.0012 0.0277 0.0277 0.5408 0.5448 1.8849 1.8932 5.3493 5.3493 8.5407 8.5435 12.7972 12.8053 13.2847 13.2865 k = 0.1444-0.1245 0.1258 ( 3329 PWs) bands (ev): -47.4761 -47.4761 -22.6401 -22.6400 -19.5222 -19.5197 -19.3505 -19.3488 -19.3347 -19.3344 -17.8874 -17.8869 -7.4855 -7.4854 -4.9643 -4.9597 -4.1835 -4.1834 -3.9923 -3.9861 0.0329 0.0330 0.5217 0.5258 1.9008 1.9093 5.3606 5.3606 8.5811 8.5841 12.7365 12.7440 13.2243 13.2254 k = 0.1529-0.1319 0.1332 ( 3325 PWs) bands (ev): -47.4761 -47.4761 -22.6389 -22.6387 -19.5220 -19.5190 -19.3498 -19.3477 -19.3349 -19.3345 -17.8923 -17.8918 -7.4815 -7.4815 -4.9751 -4.9705 -4.1888 -4.1887 -3.9788 -3.9725 0.0384 0.0384 0.5040 0.5082 1.9168 1.9256 5.3722 5.3722 8.6227 8.6257 12.6703 12.6772 13.1619 13.1623 k = 0.1614-0.1392 0.1406 ( 3329 PWs) bands (ev): -47.4761 -47.4761 -22.6375 -22.6374 -19.5220 -19.5183 -19.3494 -19.3467 -19.3351 -19.3346 -17.8972 -17.8967 -7.4785 -7.4785 -4.9838 -4.9792 -4.1944 -4.1943 -3.9668 -3.9605 0.0441 0.0442 0.4878 0.4921 1.9331 1.9421 5.3841 5.3841 8.6652 8.6683 12.5998 12.6060 13.0972 13.0975 k = 0.1699-0.1465 0.1480 ( 3333 PWs) bands (ev): -47.4760 -47.4760 -22.6361 -22.6360 -19.5220 -19.5176 -19.3490 -19.3459 -19.3353 -19.3346 -17.9018 -17.9015 -7.4766 -7.4765 -4.9903 -4.9858 -4.2002 -4.2001 -3.9565 -3.9502 0.0500 0.0501 0.4735 0.4779 1.9494 1.9586 5.3962 5.3962 8.7086 8.7118 12.5258 12.5314 13.0305 13.0314 k = 0.1783-0.1538 0.1554 ( 3333 PWs) bands (ev): -47.4760 -47.4760 -22.6347 -22.6345 -19.5221 -19.5170 -19.3489 -19.3451 -19.3354 -19.3346 -17.9064 -17.9060 -7.4757 -7.4757 -4.9945 -4.9901 -4.2060 -4.2059 -3.9480 -3.9416 0.0562 0.0562 0.4612 0.4657 1.9657 1.9751 5.4085 5.4086 8.7527 8.7559 12.4492 12.4542 12.9628 12.9642 k = 0.1868-0.1612 0.1628 ( 3337 PWs) bands (ev): -47.4760 -47.4760 -22.6332 -22.6330 -19.5223 -19.5165 -19.3489 -19.3446 -19.3356 -19.3345 -17.9107 -17.9104 -7.4762 -7.4761 -4.9965 -4.9921 -4.2120 -4.2119 -3.9411 -3.9348 0.0626 0.0626 0.4512 0.4557 1.9820 1.9916 5.4210 5.4210 8.7973 8.8005 12.3705 12.3750 12.8948 12.8966 k = 0.1953-0.1685 0.1702 ( 3339 PWs) bands (ev): -47.4760 -47.4760 -22.6316 -22.6314 -19.5226 -19.5161 -19.3491 -19.3442 -19.3357 -19.3344 -17.9147 -17.9145 -7.4779 -7.4778 -4.9961 -4.9918 -4.2181 -4.2181 -3.9361 -3.9298 0.0691 0.0692 0.4435 0.4481 1.9981 2.0079 5.4336 5.4336 8.8424 8.8457 12.2903 12.2942 12.8270 12.8291 k = 0.2038-0.1758 0.1776 ( 3335 PWs) bands (ev): -47.4760 -47.4760 -22.6300 -22.6298 -19.5229 -19.5156 -19.3495 -19.3439 -19.3357 -19.3342 -17.9184 -17.9184 -7.4810 -7.4809 -4.9934 -4.9891 -4.2243 -4.2242 -3.9329 -3.9266 0.0759 0.0759 0.4384 0.4431 2.0141 2.0240 5.4462 5.4463 8.8878 8.8911 12.2088 12.2123 12.7598 12.7623 k = 0.2123-0.1831 0.1850 ( 3335 PWs) bands (ev): -47.4760 -47.4760 -22.6284 -22.6282 -19.5234 -19.5153 -19.3501 -19.3439 -19.3357 -19.3340 -17.9219 -17.9219 -7.4855 -7.4853 -4.9884 -4.9841 -4.2306 -4.2305 -3.9314 -3.9251 0.0828 0.0829 0.4360 0.4408 2.0298 2.0399 5.4588 5.4589 8.9336 8.9368 12.1265 12.1296 12.6938 12.6965 k = 0.2208-0.1905 0.1924 ( 3331 PWs) bands (ev): -47.4760 -47.4760 -22.6267 -22.6265 -19.5240 -19.5151 -19.3509 -19.3440 -19.3357 -19.3338 -17.9251 -17.9250 -7.4913 -7.4912 -4.9810 -4.9769 -4.2369 -4.2368 -3.9316 -3.9254 0.0899 0.0900 0.4364 0.4413 2.0451 2.0554 5.4714 5.4714 8.9795 8.9827 12.0436 12.0464 12.6293 12.6322 k = 0.2293-0.1978 0.1998 ( 3331 PWs) bands (ev): -47.4760 -47.4760 -22.6250 -22.6247 -19.5247 -19.5150 -19.3519 -19.3443 -19.3358 -19.3336 -17.9279 -17.9277 -7.4986 -7.4984 -4.9716 -4.9674 -4.2432 -4.2431 -3.9336 -3.9274 0.0971 0.0972 0.4396 0.4446 2.0601 2.0704 5.4839 5.4839 9.0255 9.0287 11.9605 11.9630 12.5665 12.5695 k = 0.2378-0.2051 0.2072 ( 3327 PWs) bands (ev): -47.4759 -47.4759 -22.6232 -22.6229 -19.5254 -19.5149 -19.3531 -19.3447 -19.3358 -19.3335 -17.9304 -17.9300 -7.5072 -7.5070 -4.9600 -4.9559 -4.2496 -4.2495 -3.9372 -3.9311 0.1044 0.1045 0.4457 0.4508 2.0745 2.0850 5.4962 5.4962 9.0716 9.0748 11.8773 11.8796 12.5056 12.5087 k = 0.2463-0.2124 0.2146 ( 3327 PWs) bands (ev): -47.4759 -47.4759 -22.6214 -22.6212 -19.5263 -19.5150 -19.3544 -19.3453 -19.3358 -19.3334 -17.9324 -17.9320 -7.5171 -7.5168 -4.9464 -4.9424 -4.2559 -4.2558 -3.9424 -3.9363 0.1118 0.1119 0.4547 0.4599 2.0885 2.0990 5.5084 5.5084 9.1178 9.1209 11.7943 11.7964 12.4467 12.4498 k = 0.2548-0.2198 0.2220 ( 3319 PWs) bands (ev): -47.4759 -47.4759 -22.6196 -22.6193 -19.5273 -19.5152 -19.3559 -19.3460 -19.3358 -19.3334 -17.9340 -17.9335 -7.5282 -7.5279 -4.9310 -4.9270 -4.2622 -4.2622 -3.9490 -3.9430 0.1193 0.1194 0.4666 0.4720 2.1017 2.1124 5.5203 5.5203 9.1639 9.1670 11.7117 11.7137 12.3899 12.3931 k = 0.2633-0.2271 0.2294 ( 3315 PWs) bands (ev): -47.4759 -47.4759 -22.6178 -22.6175 -19.5283 -19.5155 -19.3576 -19.3468 -19.3359 -19.3334 -17.9352 -17.9346 -7.5405 -7.5402 -4.9139 -4.9099 -4.2685 -4.2684 -3.9570 -3.9511 0.1269 0.1269 0.4813 0.4868 2.1143 2.1250 5.5319 5.5320 9.2100 9.2130 11.6298 11.6317 12.3353 12.3384 k = 0.2718-0.2344 0.2368 ( 3327 PWs) bands (ev): -47.4759 -47.4759 -22.6159 -22.6157 -19.5296 -19.5161 -19.3595 -19.3478 -19.3360 -19.3336 -17.9361 -17.9353 -7.5538 -7.5535 -4.8952 -4.8914 -4.2748 -4.2747 -3.9664 -3.9605 0.1344 0.1344 0.4989 0.5045 2.1260 2.1369 5.5433 5.5433 9.2561 9.2590 11.5487 11.5505 12.2828 12.2860 k = 0.2803-0.2417 0.2442 ( 3329 PWs) bands (ev): -47.4759 -47.4759 -22.6141 -22.6138 -19.5308 -19.5167 -19.3614 -19.3490 -19.3361 -19.3338 -17.9365 -17.9356 -7.5681 -7.5677 -4.8752 -4.8714 -4.2809 -4.2808 -3.9769 -3.9711 0.1420 0.1420 0.5191 0.5249 2.1369 2.1478 5.5543 5.5543 9.3022 9.3050 11.4687 11.4704 12.2326 12.2357 k = 0.2887-0.2491 0.2516 ( 3333 PWs) bands (ev): -47.4759 -47.4759 -22.6122 -22.6119 -19.5322 -19.5174 -19.3635 -19.3502 -19.3362 -19.3340 -17.9365 -17.9356 -7.5831 -7.5828 -4.8540 -4.8502 -4.2870 -4.2869 -3.9884 -3.9827 0.1495 0.1495 0.5420 0.5479 2.1469 2.1579 5.5650 5.5650 9.3483 9.3509 11.3899 11.3915 12.1846 12.1876 k = 0.2972-0.2564 0.2590 ( 3329 PWs) bands (ev): -47.4759 -47.4759 -22.6104 -22.6101 -19.5336 -19.5183 -19.3656 -19.3516 -19.3363 -19.3343 -17.9361 -17.9351 -7.5989 -7.5985 -4.8318 -4.8280 -4.2929 -4.2928 -4.0008 -3.9952 0.1570 0.1570 0.5674 0.5735 2.1559 2.1670 5.5753 5.5753 9.3943 9.3969 11.3124 11.3141 12.1388 12.1417 k = 0.3057-0.2637 0.2664 ( 3329 PWs) bands (ev): -47.4758 -47.4758 -22.6085 -22.6082 -19.5351 -19.5193 -19.3678 -19.3531 -19.3364 -19.3345 -17.9353 -17.9343 -7.6153 -7.6148 -4.8087 -4.8050 -4.2987 -4.2986 -4.0140 -4.0085 0.1644 0.1644 0.5952 0.6013 2.1639 2.1750 5.5852 5.5853 9.4404 9.4428 11.2366 11.2382 12.0951 12.0979 k = 0.3142-0.2710 0.2738 ( 3329 PWs) bands (ev): -47.4758 -47.4758 -22.6067 -22.6064 -19.5366 -19.5205 -19.3700 -19.3547 -19.3366 -19.3348 -17.9342 -17.9331 -7.6320 -7.6316 -4.7850 -4.7813 -4.3044 -4.3043 -4.0278 -4.0224 0.1718 0.1718 0.6251 0.6314 2.1708 2.1819 5.5948 5.5948 9.4866 9.4889 11.1625 11.1641 12.0535 12.0561 k = 0.3227-0.2784 0.2812 ( 3325 PWs) bands (ev): -47.4758 -47.4758 -22.6049 -22.6046 -19.5382 -19.5218 -19.3722 -19.3564 -19.3367 -19.3351 -17.9328 -17.9317 -7.6491 -7.6487 -4.7609 -4.7571 -4.3099 -4.3099 -4.0422 -4.0368 0.1790 0.1790 0.6571 0.6635 2.1765 2.1876 5.6039 5.6039 9.5329 9.5350 11.0903 11.0919 12.0140 12.0164 k = 0.3312-0.2857 0.2886 ( 3325 PWs) bands (ev): -47.4758 -47.4758 -22.6031 -22.6028 -19.5398 -19.5233 -19.3744 -19.3583 -19.3368 -19.3354 -17.9311 -17.9299 -7.6664 -7.6660 -4.7364 -4.7328 -4.3153 -4.3152 -4.0569 -4.0516 0.1861 0.1862 0.6909 0.6974 2.1810 2.1920 5.6125 5.6126 9.5794 9.5813 11.0201 11.0218 11.9765 11.9787 k = 0.3397-0.2930 0.2960 ( 3331 PWs) bands (ev): -47.4758 -47.4758 -22.6014 -22.6011 -19.5415 -19.5249 -19.3765 -19.3602 -19.3370 -19.3357 -17.9292 -17.9280 -7.6837 -7.6833 -4.7119 -4.7083 -4.3205 -4.3204 -4.0718 -4.0666 0.1931 0.1931 0.7262 0.7329 2.1842 2.1952 5.6207 5.6207 9.6260 9.6278 10.9522 10.9539 11.9408 11.9428 k = 0.3482-0.3003 0.3034 ( 3327 PWs) bands (ev): -47.4758 -47.4758 -22.5997 -22.5994 -19.5432 -19.5266 -19.3786 -19.3622 -19.3371 -19.3360 -17.9270 -17.9258 -7.7010 -7.7006 -4.6875 -4.6839 -4.3255 -4.3254 -4.0869 -4.0818 0.1998 0.1999 0.7630 0.7698 2.1862 2.1971 5.6285 5.6285 9.6729 9.6745 10.8868 10.8885 11.9071 11.9088 k = 0.3567-0.3077 0.3108 ( 3327 PWs) bands (ev): -47.4758 -47.4758 -22.5980 -22.5978 -19.5449 -19.5284 -19.3806 -19.3642 -19.3373 -19.3363 -17.9247 -17.9235 -7.7180 -7.7176 -4.6633 -4.6597 -4.3303 -4.3302 -4.1019 -4.0969 0.2064 0.2064 0.8009 0.8078 2.1868 2.1977 5.6358 5.6358 9.7201 9.7215 10.8239 10.8257 11.8751 11.8765 k = 0.3652-0.3150 0.3182 ( 3327 PWs) bands (ev): -47.4758 -47.4758 -22.5964 -22.5962 -19.5465 -19.5304 -19.3825 -19.3663 -19.3374 -19.3365 -17.9222 -17.9210 -7.7348 -7.7344 -4.6396 -4.6359 -4.3349 -4.3348 -4.1168 -4.1119 0.2127 0.2128 0.8397 0.8467 2.1862 2.1970 5.6426 5.6426 9.7676 9.7688 10.7639 10.7657 11.8446 11.8457 k = 0.3737-0.3223 0.3256 ( 3313 PWs) bands (ev): -47.4757 -47.4757 -22.5949 -22.5946 -19.5481 -19.5323 -19.3842 -19.3682 -19.3375 -19.3367 -17.9196 -17.9184 -7.7511 -7.7507 -4.6163 -4.6127 -4.3392 -4.3391 -4.1315 -4.1267 0.2188 0.2188 0.8792 0.8861 2.1843 2.1950 5.6490 5.6490 9.8153 9.8163 10.7070 10.7088 11.8157 11.8164 k = 0.3822-0.3297 0.3330 ( 3318 PWs) bands (ev): -47.4757 -47.4757 -22.5934 -22.5932 -19.5497 -19.5344 -19.3859 -19.3703 -19.3377 -19.3370 -17.9170 -17.9158 -7.7668 -7.7664 -4.5938 -4.5902 -4.3434 -4.3432 -4.1458 -4.1411 0.2246 0.2246 0.9189 0.9259 2.1812 2.1916 5.6549 5.6549 9.8632 9.8640 10.6533 10.6553 11.7879 11.7881 k = 0.3907-0.3370 0.3404 ( 3318 PWs) bands (ev): -47.4757 -47.4757 -22.5920 -22.5918 -19.5512 -19.5366 -19.3874 -19.3724 -19.3378 -19.3372 -17.9143 -17.9132 -7.7820 -7.7816 -4.5722 -4.5685 -4.3472 -4.3471 -4.1597 -4.1551 0.2301 0.2301 0.9587 0.9656 2.1768 2.1871 5.6603 5.6604 9.9112 9.9118 10.6034 10.6055 11.7606 11.7608 k = 0.3991-0.3443 0.3478 ( 3318 PWs) bands (ev): -47.4757 -47.4757 -22.5907 -22.5905 -19.5526 -19.5387 -19.3887 -19.3744 -19.3379 -19.3374 -17.9117 -17.9106 -7.7963 -7.7960 -4.5514 -4.5478 -4.3508 -4.3507 -4.1731 -4.1686 0.2353 0.2353 0.9981 1.0050 2.1714 2.1813 5.6653 5.6653 9.9590 9.9593 10.5576 10.5598 11.7331 11.7340 k = 0.4076-0.3516 0.3552 ( 3318 PWs) bands (ev): -47.4757 -47.4757 -22.5894 -22.5892 -19.5540 -19.5409 -19.3898 -19.3763 -19.3381 -19.3376 -17.9091 -17.9080 -7.8099 -7.8095 -4.5318 -4.5282 -4.3542 -4.3540 -4.1859 -4.1815 0.2401 0.2401 1.0369 1.0436 2.1650 2.1746 5.6699 5.6699 10.0061 10.0061 10.5166 10.5189 11.7046 11.7061 k = 0.4161-0.3590 0.3626 ( 3302 PWs) bands (ev): -47.4757 -47.4757 -22.5883 -22.5881 -19.5551 -19.5429 -19.3907 -19.3781 -19.3381 -19.3378 -17.9066 -17.9056 -7.8225 -7.8222 -4.5132 -4.5097 -4.3572 -4.3571 -4.1979 -4.1937 0.2446 0.2446 1.0746 1.0812 2.1577 2.1669 5.6740 5.6740 10.0513 10.0518 10.4812 10.4838 11.6729 11.6753 k = 0.4246-0.3663 0.3700 ( 3298 PWs) bands (ev): -47.4757 -47.4757 -22.5872 -22.5870 -19.5561 -19.5450 -19.3915 -19.3799 -19.3382 -19.3379 -17.9042 -17.9033 -7.8342 -7.8339 -4.4960 -4.4925 -4.3600 -4.3599 -4.2092 -4.2052 0.2487 0.2487 1.1109 1.1173 2.1498 2.1585 5.6777 5.6777 10.0936 10.0944 10.4530 10.4558 11.6349 11.6381 k = 0.4331-0.3736 0.3774 ( 3304 PWs) bands (ev): -47.4757 -47.4757 -22.5863 -22.5861 -19.5571 -19.5470 -19.3922 -19.3817 -19.3383 -19.3381 -17.9020 -17.9012 -7.8448 -7.8445 -4.4801 -4.4767 -4.3625 -4.3624 -4.2197 -4.2159 0.2524 0.2524 1.1453 1.1513 2.1414 2.1496 5.6809 5.6810 10.1307 10.1319 10.4343 10.4373 11.5865 11.5901 k = 0.4416-0.3809 0.3848 ( 3302 PWs) bands (ev): -47.4757 -47.4757 -22.5854 -22.5853 -19.5579 -19.5490 -19.3927 -19.3833 -19.3384 -19.3382 -17.9000 -17.8992 -7.8542 -7.8540 -4.4657 -4.4624 -4.3648 -4.3646 -4.2293 -4.2256 0.2557 0.2558 1.1774 1.1830 2.1330 2.1404 5.6838 5.6838 10.1594 10.1608 10.4280 10.4311 11.5262 11.5296 k = 0.4501-0.3883 0.3922 ( 3306 PWs) bands (ev): -47.4757 -47.4757 -22.5847 -22.5845 -19.5585 -19.5508 -19.3930 -19.3849 -19.3385 -19.3383 -17.8982 -17.8975 -7.8625 -7.8623 -4.4528 -4.4497 -4.3667 -4.3665 -4.2379 -4.2345 0.2586 0.2586 1.2066 1.2117 2.1246 2.1313 5.6863 5.6863 10.1772 10.1787 10.4363 10.4393 11.4577 11.4604 k = 0.4586-0.3956 0.3996 ( 3306 PWs) bands (ev): -47.4757 -47.4757 -22.5840 -22.5839 -19.5589 -19.5524 -19.3931 -19.3863 -19.3385 -19.3384 -17.8966 -17.8960 -7.8696 -7.8694 -4.4415 -4.4387 -4.3683 -4.3682 -4.2454 -4.2424 0.2610 0.2611 1.2325 1.2370 2.1168 2.1226 5.6883 5.6883 10.1846 10.1859 10.4581 10.4607 11.3870 11.3891 k = 0.4671-0.4029 0.4070 ( 3300 PWs) bands (ev): -47.4757 -47.4757 -22.5835 -22.5834 -19.5591 -19.5539 -19.3930 -19.3876 -19.3386 -19.3384 -17.8953 -17.8948 -7.8754 -7.8753 -4.4319 -4.4295 -4.3697 -4.3695 -4.2517 -4.2491 0.2631 0.2631 1.2546 1.2583 2.1100 2.1147 5.6900 5.6900 10.1850 10.1860 10.4884 10.4905 11.3195 11.3211 k = 0.4756-0.4102 0.4144 ( 3296 PWs) bands (ev): -47.4757 -47.4757 -22.5831 -22.5830 -19.5591 -19.5552 -19.3928 -19.3887 -19.3386 -19.3385 -17.8942 -17.8939 -7.8799 -7.8798 -4.4242 -4.4223 -4.3707 -4.3705 -4.2566 -4.2546 0.2646 0.2646 1.2724 1.2752 2.1043 2.1080 5.6913 5.6913 10.1820 10.1827 10.5213 10.5229 11.2598 11.2610 k = 0.4841-0.4176 0.4218 ( 3298 PWs) bands (ev): -47.4757 -47.4757 -22.5828 -22.5828 -19.5590 -19.5564 -19.3925 -19.3898 -19.3386 -19.3386 -17.8934 -17.8932 -7.8831 -7.8830 -4.4186 -4.4172 -4.3714 -4.3713 -4.2601 -4.2587 0.2657 0.2657 1.2854 1.2873 2.1003 2.1028 5.6922 5.6922 10.1786 10.1790 10.5506 10.5517 11.2125 11.2133 k = 0.4841-0.4176 0.4218 ( 3298 PWs) bands (ev): -47.4757 -47.4757 -22.5828 -22.5828 -19.5590 -19.5564 -19.3925 -19.3898 -19.3386 -19.3386 -17.8934 -17.8932 -7.8831 -7.8830 -4.4186 -4.4172 -4.3714 -4.3713 -4.2601 -4.2587 0.2657 0.2657 1.2854 1.2873 2.1003 2.1028 5.6922 5.6922 10.1786 10.1790 10.5506 10.5517 11.2125 11.2133 k = 0.4845-0.4053 0.4167 ( 3297 PWs) bands (ev): -47.4757 -47.4757 -22.5830 -22.5830 -19.5591 -19.5556 -19.3927 -19.3891 -19.3386 -19.3385 -17.8939 -17.8936 -7.8810 -7.8809 -4.4224 -4.4206 -4.3709 -4.3707 -4.2578 -4.2560 0.2649 0.2649 1.2768 1.2793 2.1029 2.1062 5.6914 5.6914 10.1780 10.1786 10.5316 10.5330 11.2446 11.2456 k = 0.4849-0.3930 0.4116 ( 3301 PWs) bands (ev): -47.4757 -47.4757 -22.5834 -22.5833 -19.5591 -19.5547 -19.3929 -19.3883 -19.3385 -19.3384 -17.8945 -17.8941 -7.8781 -7.8780 -4.4274 -4.4253 -4.3700 -4.3698 -4.2548 -4.2526 0.2636 0.2636 1.2654 1.2686 2.1061 2.1102 5.6902 5.6902 10.1722 10.1729 10.5105 10.5123 11.2857 11.2870 k = 0.4853-0.3807 0.4065 ( 3300 PWs) bands (ev): -47.4757 -47.4757 -22.5838 -22.5838 -19.5590 -19.5537 -19.3929 -19.3874 -19.3384 -19.3383 -17.8952 -17.8947 -7.8745 -7.8743 -4.4336 -4.4312 -4.3688 -4.3686 -4.2510 -4.2484 0.2620 0.2620 1.2516 1.2553 2.1099 2.1148 5.6884 5.6884 10.1616 10.1625 10.4883 10.4904 11.3348 11.3362 k = 0.4857-0.3684 0.4014 ( 3307 PWs) bands (ev): -47.4757 -47.4757 -22.5844 -22.5843 -19.5587 -19.5526 -19.3928 -19.3864 -19.3384 -19.3382 -17.8959 -17.8954 -7.8701 -7.8699 -4.4411 -4.4385 -4.3673 -4.3672 -4.2463 -4.2435 0.2598 0.2598 1.2354 1.2396 2.1142 2.1197 5.6861 5.6861 10.1469 10.1479 10.4654 10.4677 11.3909 11.3925 k = 0.4861-0.3561 0.3963 ( 3307 PWs) bands (ev): -47.4757 -47.4757 -22.5852 -22.5851 -19.5583 -19.5513 -19.3926 -19.3853 -19.3382 -19.3380 -17.8968 -17.8962 -7.8650 -7.8648 -4.4497 -4.4470 -4.3656 -4.3654 -4.2409 -4.2379 0.2573 0.2573 1.2171 1.2218 2.1188 2.1249 5.6833 5.6833 10.1289 10.1301 10.4422 10.4448 11.4533 11.4550 k = 0.4865-0.3438 0.3912 ( 3304 PWs) bands (ev): -47.4757 -47.4757 -22.5860 -22.5859 -19.5578 -19.5500 -19.3922 -19.3842 -19.3380 -19.3378 -17.8978 -17.8971 -7.8591 -7.8589 -4.4596 -4.4567 -4.3635 -4.3633 -4.2347 -4.2316 0.2544 0.2544 1.1970 1.2020 2.1235 2.1301 5.6801 5.6801 10.1085 10.1098 10.4190 10.4217 11.5214 11.5233 k = 0.4869-0.3315 0.3861 ( 3305 PWs) bands (ev): -47.4757 -47.4757 -22.5869 -22.5868 -19.5571 -19.5486 -19.3918 -19.3829 -19.3378 -19.3376 -17.8988 -17.8981 -7.8526 -7.8524 -4.4706 -4.4678 -4.3611 -4.3610 -4.2277 -4.2245 0.2511 0.2511 1.1752 1.1805 2.1283 2.1353 5.6765 5.6765 10.0864 10.0878 10.3958 10.3987 11.5946 11.5965 k = 0.4873-0.3192 0.3810 ( 3302 PWs) bands (ev): -47.4757 -47.4757 -22.5880 -22.5878 -19.5563 -19.5470 -19.3912 -19.3816 -19.3376 -19.3373 -17.8999 -17.8991 -7.8453 -7.8451 -4.4828 -4.4800 -4.3585 -4.3584 -4.2200 -4.2167 0.2474 0.2474 1.1521 1.1576 2.1329 2.1403 5.6724 5.6725 10.0632 10.0646 10.3731 10.3762 11.6723 11.6742 k = 0.4877-0.3069 0.3759 ( 3306 PWs) bands (ev): -47.4757 -47.4757 -22.5891 -22.5890 -19.5554 -19.5455 -19.3905 -19.3803 -19.3374 -19.3370 -17.9011 -17.9002 -7.8375 -7.8372 -4.4962 -4.4934 -4.3556 -4.3555 -4.2116 -4.2083 0.2433 0.2434 1.1277 1.1334 2.1372 2.1450 5.6680 5.6680 10.0392 10.0407 10.3511 10.3542 11.7535 11.7554 k = 0.4881-0.2946 0.3708 ( 3308 PWs) bands (ev): -47.4757 -47.4757 -22.5903 -22.5902 -19.5545 -19.5439 -19.3897 -19.3790 -19.3372 -19.3367 -17.9023 -17.9014 -7.8289 -7.8286 -4.5106 -4.5079 -4.3525 -4.3524 -4.2025 -4.1992 0.2390 0.2390 1.1023 1.1082 2.1412 2.1493 5.6632 5.6632 10.0148 10.0163 10.3300 10.3332 11.8375 11.8392 k = 0.4885-0.2823 0.3657 ( 3309 PWs) bands (ev): -47.4757 -47.4757 -22.5916 -22.5915 -19.5534 -19.5423 -19.3888 -19.3775 -19.3369 -19.3363 -17.9036 -17.9027 -7.8198 -7.8195 -4.5262 -4.5235 -4.3492 -4.3491 -4.1928 -4.1895 0.2343 0.2343 1.0761 1.0821 2.1448 2.1531 5.6581 5.6581 9.9903 9.9917 10.3102 10.3135 11.9232 11.9246 k = 0.4889-0.2700 0.3606 ( 3307 PWs) bands (ev): -47.4757 -47.4757 -22.5930 -22.5928 -19.5522 -19.5406 -19.3877 -19.3760 -19.3366 -19.3359 -17.9050 -17.9040 -7.8101 -7.8097 -4.5426 -4.5401 -4.3457 -4.3456 -4.1824 -4.1792 0.2294 0.2294 1.0493 1.0554 2.1480 2.1564 5.6526 5.6527 9.9656 9.9671 10.2918 10.2952 12.0094 12.0103 k = 0.4893-0.2577 0.3555 ( 3307 PWs) bands (ev): -47.4757 -47.4757 -22.5945 -22.5943 -19.5510 -19.5389 -19.3866 -19.3745 -19.3363 -19.3354 -17.9064 -17.9054 -7.7998 -7.7995 -4.5600 -4.5576 -4.3420 -4.3419 -4.1716 -4.1684 0.2242 0.2242 1.0222 1.0282 2.1505 2.1590 5.6470 5.6470 9.9411 9.9425 10.2752 10.2785 12.0947 12.0949 k = 0.4896-0.2455 0.3504 ( 3307 PWs) bands (ev): -47.4757 -47.4757 -22.5960 -22.5958 -19.5496 -19.5372 -19.3853 -19.3730 -19.3360 -19.3350 -17.9079 -17.9068 -7.7890 -7.7887 -4.5783 -4.5759 -4.3381 -4.3381 -4.1603 -4.1572 0.2188 0.2188 0.9947 1.0008 2.1525 2.1611 5.6411 5.6411 9.9166 9.9179 10.2604 10.2637 12.1775 12.1782 k = 0.4900-0.2332 0.3453 ( 3313 PWs) bands (ev): -47.4757 -47.4757 -22.5975 -22.5973 -19.5482 -19.5356 -19.3839 -19.3715 -19.3357 -19.3346 -17.9094 -17.9083 -7.7778 -7.7774 -4.5973 -4.5950 -4.3342 -4.3341 -4.1485 -4.1455 0.2132 0.2132 0.9672 0.9732 2.1539 2.1625 5.6350 5.6350 9.8924 9.8936 10.2476 10.2508 12.2578 12.2593 k = 0.4904-0.2209 0.3402 ( 3301 PWs) bands (ev): -47.4757 -47.4757 -22.5991 -22.5989 -19.5468 -19.5339 -19.3824 -19.3699 -19.3352 -19.3340 -17.9109 -17.9098 -7.7661 -7.7657 -4.6169 -4.6148 -4.3300 -4.3299 -4.1364 -4.1335 0.2074 0.2075 0.9397 0.9457 2.1547 2.1633 5.6288 5.6288 9.8683 9.8694 10.2368 10.2400 12.3356 12.3379 k = 0.4908-0.2086 0.3351 ( 3305 PWs) bands (ev): -47.4758 -47.4758 -22.6007 -22.6005 -19.5453 -19.5322 -19.3809 -19.3683 -19.3349 -19.3335 -17.9125 -17.9113 -7.7540 -7.7537 -4.6372 -4.6352 -4.3258 -4.3257 -4.1240 -4.1212 0.2015 0.2015 0.9124 0.9183 2.1549 2.1635 5.6225 5.6225 9.8446 9.8456 10.2281 10.2311 12.4115 12.4144 k = 0.4912-0.1963 0.3300 ( 3310 PWs) bands (ev): -47.4758 -47.4758 -22.6024 -22.6022 -19.5438 -19.5306 -19.3793 -19.3668 -19.3346 -19.3330 -17.9140 -17.9129 -7.7417 -7.7413 -4.6579 -4.6561 -4.3215 -4.3214 -4.1114 -4.1087 0.1955 0.1955 0.8854 0.8911 2.1546 2.1630 5.6161 5.6162 9.8213 9.8221 10.2213 10.2242 12.4857 12.4892 k = 0.4916-0.1840 0.3249 ( 3308 PWs) bands (ev): -47.4758 -47.4758 -22.6040 -22.6038 -19.5422 -19.5291 -19.3775 -19.3652 -19.3343 -19.3325 -17.9156 -17.9145 -7.7290 -7.7287 -4.6790 -4.6773 -4.3172 -4.3171 -4.0986 -4.0960 0.1894 0.1894 0.8589 0.8645 2.1538 2.1620 5.6097 5.6098 9.7984 9.7991 10.2164 10.2192 12.5586 12.5626 k = 0.4920-0.1717 0.3198 ( 3315 PWs) bands (ev): -47.4758 -47.4758 -22.6057 -22.6055 -19.5407 -19.5276 -19.3758 -19.3637 -19.3339 -19.3320 -17.9172 -17.9160 -7.7162 -7.7158 -4.7004 -4.6987 -4.3128 -4.3128 -4.0858 -4.0833 0.1833 0.1833 0.8329 0.8383 2.1524 2.1605 5.6033 5.6033 9.7760 9.7766 10.2133 10.2160 12.6304 12.6346 k = 0.4924-0.1594 0.3147 ( 3315 PWs) bands (ev): -47.4758 -47.4758 -22.6073 -22.6072 -19.5391 -19.5262 -19.3739 -19.3622 -19.3336 -19.3315 -17.9187 -17.9176 -7.7032 -7.7029 -4.7219 -4.7203 -4.3084 -4.3084 -4.0730 -4.0706 0.1772 0.1772 0.8076 0.8128 2.1507 2.1585 5.5970 5.5970 9.7543 9.7548 10.2119 10.2144 12.7010 12.7055 k = 0.4928-0.1471 0.3096 ( 3313 PWs) bands (ev): -47.4758 -47.4758 -22.6090 -22.6088 -19.5375 -19.5248 -19.3720 -19.3607 -19.3332 -19.3309 -17.9203 -17.9191 -7.6902 -7.6898 -4.7434 -4.7420 -4.3041 -4.3041 -4.0602 -4.0580 0.1711 0.1712 0.7830 0.7881 2.1485 2.1561 5.5907 5.5908 9.7332 9.7336 10.2120 10.2143 12.7706 12.7753 k = 0.4932-0.1348 0.3045 ( 3317 PWs) bands (ev): -47.4758 -47.4758 -22.6106 -22.6104 -19.5359 -19.5236 -19.3701 -19.3593 -19.3329 -19.3304 -17.9218 -17.9207 -7.6772 -7.6768 -4.7648 -4.7635 -4.2998 -4.2998 -4.0476 -4.0455 0.1651 0.1652 0.7593 0.7642 2.1460 2.1534 5.5846 5.5846 9.7129 9.7132 10.2134 10.2156 12.8390 12.8438 k = 0.4936-0.1225 0.2994 ( 3321 PWs) bands (ev): -47.4758 -47.4758 -22.6121 -22.6120 -19.5344 -19.5224 -19.3682 -19.3579 -19.3326 -19.3300 -17.9233 -17.9222 -7.6642 -7.6639 -4.7860 -4.7848 -4.2957 -4.2956 -4.0352 -4.0332 0.1592 0.1593 0.7365 0.7411 2.1432 2.1502 5.5786 5.5786 9.6934 9.6936 10.2161 10.2181 12.9061 12.9110 k = 0.4940-0.1102 0.2943 ( 3317 PWs) bands (ev): -47.4758 -47.4758 -22.6137 -22.6135 -19.5328 -19.5213 -19.3662 -19.3566 -19.3323 -19.3295 -17.9247 -17.9236 -7.6514 -7.6511 -4.8068 -4.8056 -4.2915 -4.2915 -4.0231 -4.0212 0.1535 0.1535 0.7147 0.7191 2.1402 2.1469 5.5728 5.5728 9.6748 9.6749 10.2197 10.2216 12.9718 12.9767 k = 0.4944-0.0979 0.2892 ( 3307 PWs) bands (ev): -47.4758 -47.4758 -22.6151 -22.6150 -19.5312 -19.5202 -19.3642 -19.3552 -19.3319 -19.3290 -17.9261 -17.9251 -7.6389 -7.6385 -4.8271 -4.8260 -4.2876 -4.2875 -4.0114 -4.0096 0.1480 0.1480 0.6940 0.6982 2.1370 2.1435 5.5673 5.5673 9.6572 9.6573 10.2241 10.2259 13.0359 13.0408 k = 0.4948-0.0856 0.2841 ( 3310 PWs) bands (ev): -47.4758 -47.4758 -22.6165 -22.6164 -19.5298 -19.5193 -19.3623 -19.3540 -19.3316 -19.3286 -17.9274 -17.9264 -7.6267 -7.6264 -4.8467 -4.8458 -4.2838 -4.2837 -4.0001 -3.9984 0.1426 0.1426 0.6745 0.6784 2.1338 2.1398 5.5619 5.5619 9.6406 9.6406 10.2292 10.2308 13.0981 13.1029 k = 0.4952-0.0733 0.2790 ( 3310 PWs) bands (ev): -47.4759 -47.4759 -22.6179 -22.6177 -19.5284 -19.5184 -19.3605 -19.3529 -19.3313 -19.3283 -17.9286 -17.9277 -7.6149 -7.6146 -4.8656 -4.8648 -4.2801 -4.2801 -3.9893 -3.9878 0.1375 0.1375 0.6562 0.6598 2.1305 2.1362 5.5569 5.5569 9.6250 9.6251 10.2348 10.2363 13.1583 13.1629 k = 0.4956-0.0611 0.2739 ( 3312 PWs) bands (ev): -47.4759 -47.4759 -22.6191 -22.6190 -19.5270 -19.5177 -19.3587 -19.3518 -19.3311 -19.3279 -17.9298 -17.9290 -7.6036 -7.6033 -4.8836 -4.8828 -4.2767 -4.2767 -3.9791 -3.9777 0.1327 0.1327 0.6391 0.6424 2.1272 2.1325 5.5521 5.5522 9.6105 9.6106 10.2407 10.2420 13.2160 13.2204 k = 0.4960-0.0488 0.2688 ( 3312 PWs) bands (ev): -47.4759 -47.4759 -22.6203 -22.6202 -19.5257 -19.5171 -19.3569 -19.3508 -19.3308 -19.3277 -17.9309 -17.9301 -7.5929 -7.5927 -4.9006 -4.8999 -4.2735 -4.2735 -3.9696 -3.9683 0.1282 0.1282 0.6233 0.6264 2.1241 2.1289 5.5477 5.5477 9.5972 9.5973 10.2467 10.2479 13.2710 13.2752 k = 0.4964-0.0365 0.2637 ( 3314 PWs) bands (ev): -47.4759 -47.4759 -22.6214 -22.6213 -19.5244 -19.5166 -19.3553 -19.3499 -19.3305 -19.3275 -17.9319 -17.9312 -7.5830 -7.5827 -4.9163 -4.9157 -4.2705 -4.2705 -3.9607 -3.9595 0.1240 0.1240 0.6090 0.6118 2.1210 2.1255 5.5437 5.5437 9.5850 9.5852 10.2526 10.2537 13.3229 13.3268 k = 0.4968-0.0242 0.2587 ( 3316 PWs) bands (ev): -47.4759 -47.4759 -22.6224 -22.6223 -19.5232 -19.5162 -19.3538 -19.3491 -19.3302 -19.3273 -17.9328 -17.9322 -7.5738 -7.5736 -4.9308 -4.9303 -4.2678 -4.2678 -3.9526 -3.9516 0.1202 0.1202 0.5960 0.5985 2.1182 2.1222 5.5400 5.5400 9.5741 9.5743 10.2584 10.2594 13.3712 13.3749 k = 0.4972-0.0119 0.2536 ( 3320 PWs) bands (ev): -47.4759 -47.4759 -22.6232 -22.6231 -19.5221 -19.5159 -19.3524 -19.3484 -19.3300 -19.3273 -17.9337 -17.9331 -7.5654 -7.5652 -4.9439 -4.9435 -4.2654 -4.2654 -3.9454 -3.9444 0.1168 0.1168 0.5845 0.5867 2.1156 2.1191 5.5367 5.5367 9.5644 9.5645 10.2639 10.2647 13.4157 13.4190 k = 0.4976 0.0004 0.2485 ( 3326 PWs) bands (ev): -47.4759 -47.4759 -22.6240 -22.6239 -19.5211 -19.5157 -19.3511 -19.3478 -19.3297 -19.3272 -17.9344 -17.9339 -7.5580 -7.5579 -4.9555 -4.9551 -4.2633 -4.2633 -3.9390 -3.9382 0.1138 0.1138 0.5744 0.5763 2.1133 2.1163 5.5338 5.5338 9.5560 9.5561 10.2689 10.2696 13.4556 13.4586 k = 0.4980 0.0127 0.2434 ( 3320 PWs) bands (ev): -47.4759 -47.4759 -22.6247 -22.6246 -19.5201 -19.5156 -19.3499 -19.3473 -19.3294 -19.3272 -17.9350 -17.9345 -7.5516 -7.5515 -4.9655 -4.9651 -4.2615 -4.2614 -3.9335 -3.9328 0.1112 0.1112 0.5660 0.5675 2.1114 2.1139 5.5313 5.5313 9.5488 9.5489 10.2734 10.2740 13.4907 13.4932 k = 0.4984 0.0250 0.2383 ( 3320 PWs) bands (ev): -47.4759 -47.4759 -22.6252 -22.6252 -19.5193 -19.5156 -19.3490 -19.3469 -19.3292 -19.3273 -17.9355 -17.9351 -7.5463 -7.5462 -4.9737 -4.9735 -4.2599 -4.2599 -3.9289 -3.9283 0.1090 0.1091 0.5590 0.5603 2.1097 2.1118 5.5293 5.5293 9.5429 9.5430 10.2772 10.2777 13.5203 13.5224 k = 0.4988 0.0373 0.2332 ( 3315 PWs) bands (ev): -47.4759 -47.4759 -22.6256 -22.6256 -19.5184 -19.5157 -19.3481 -19.3466 -19.3289 -19.3274 -17.9358 -17.9356 -7.5421 -7.5420 -4.9802 -4.9800 -4.2587 -4.2587 -3.9253 -3.9249 0.1074 0.1074 0.5536 0.5546 2.1085 2.1101 5.5277 5.5277 9.5383 9.5384 10.2803 10.2806 13.5440 13.5456 k = 0.4992 0.0496 0.2281 ( 3316 PWs) bands (ev): -47.4759 -47.4759 -22.6259 -22.6259 -19.5178 -19.5159 -19.3475 -19.3465 -19.3286 -19.3276 -17.9361 -17.9359 -7.5390 -7.5390 -4.9849 -4.9848 -4.2579 -4.2579 -3.9226 -3.9224 0.1062 0.1062 0.5498 0.5504 2.1077 2.1088 5.5265 5.5265 9.5350 9.5351 10.2825 10.2827 13.5614 13.5624 k = 0.4996 0.0619 0.2230 ( 3314 PWs) bands (ev): -47.4759 -47.4759 -22.6261 -22.6261 -19.5171 -19.5162 -19.3470 -19.3465 -19.3283 -19.3278 -17.9362 -17.9361 -7.5372 -7.5372 -4.9877 -4.9877 -4.2574 -4.2574 -3.9210 -3.9209 0.1054 0.1054 0.5476 0.5479 2.1073 2.1079 5.5259 5.5259 9.5331 9.5331 10.2839 10.2840 13.5720 13.5726 k = 0.5000 0.0742 0.2179 ( 3320 PWs) bands (ev): -47.4759 -47.4759 -22.6262 -22.6262 -19.5167 -19.5167 -19.3467 -19.3467 -19.3281 -19.3281 -17.9362 -17.9362 -7.5366 -7.5366 -4.9887 -4.9887 -4.2572 -4.2572 -3.9205 -3.9205 0.1052 0.1052 0.5469 0.5469 2.1074 2.1074 5.5256 5.5256 9.5324 9.5324 10.2844 10.2844 13.5758 13.5758 k = 0.5000 0.0742 0.2179 ( 3320 PWs) bands (ev): -47.4759 -47.4759 -22.6262 -22.6262 -19.5167 -19.5167 -19.3467 -19.3467 -19.3281 -19.3281 -17.9362 -17.9362 -7.5366 -7.5366 -4.9887 -4.9887 -4.2572 -4.2572 -3.9205 -3.9205 0.1052 0.1052 0.5469 0.5469 2.1074 2.1074 5.5256 5.5256 9.5324 9.5324 10.2844 10.2844 13.5758 13.5758 k = 0.4944 0.0790 0.2290 ( 3320 PWs) bands (ev): -47.4759 -47.4759 -22.6261 -22.6261 -19.5170 -19.5164 -19.3470 -19.3465 -19.3285 -19.3277 -17.9362 -17.9361 -7.5365 -7.5365 -4.9886 -4.9885 -4.2579 -4.2577 -3.9206 -3.9206 0.1043 0.1047 0.5470 0.5474 2.1076 2.1076 5.5248 5.5250 9.5340 9.5341 10.2859 10.2860 13.5764 13.5767 k = 0.4889 0.0838 0.2401 ( 3316 PWs) bands (ev): -47.4759 -47.4759 -22.6259 -22.6259 -19.5173 -19.5162 -19.3473 -19.3463 -19.3289 -19.3274 -17.9359 -17.9357 -7.5363 -7.5363 -4.9882 -4.9880 -4.2599 -4.2594 -3.9211 -3.9209 0.1020 0.1027 0.5478 0.5485 2.1082 2.1083 5.5226 5.5229 9.5387 9.5390 10.2905 10.2907 13.5786 13.5791 k = 0.4833 0.0886 0.2512 ( 3314 PWs) bands (ev): -47.4759 -47.4759 -22.6257 -22.6257 -19.5177 -19.5161 -19.3478 -19.3463 -19.3294 -19.3271 -17.9354 -17.9352 -7.5360 -7.5359 -4.9876 -4.9873 -4.2631 -4.2624 -3.9217 -3.9215 0.0982 0.0993 0.5492 0.5502 2.1093 2.1095 5.5189 5.5195 9.5467 9.5471 10.2982 10.2986 13.5822 13.5830 k = 0.4778 0.0933 0.2623 ( 3316 PWs) bands (ev): -47.4759 -47.4759 -22.6253 -22.6253 -19.5182 -19.5161 -19.3483 -19.3464 -19.3299 -19.3269 -17.9348 -17.9344 -7.5355 -7.5354 -4.9867 -4.9863 -4.2675 -4.2665 -3.9227 -3.9223 0.0931 0.0945 0.5511 0.5524 2.1108 2.1111 5.5139 5.5146 9.5578 9.5583 10.3090 10.3095 13.5873 13.5883 k = 0.4722 0.0981 0.2734 ( 3308 PWs) bands (ev): -47.4759 -47.4759 -22.6248 -22.6248 -19.5188 -19.5161 -19.3490 -19.3465 -19.3304 -19.3267 -17.9339 -17.9335 -7.5349 -7.5348 -4.9856 -4.9850 -4.2730 -4.2718 -3.9238 -3.9234 0.0868 0.0884 0.5537 0.5553 2.1128 2.1131 5.5075 5.5084 9.5720 9.5727 10.3229 10.3234 13.5939 13.5951 k = 0.4667 0.1029 0.2846 ( 3312 PWs) bands (ev): -47.4758 -47.4758 -22.6242 -22.6242 -19.5194 -19.5162 -19.3497 -19.3468 -19.3309 -19.3266 -17.9329 -17.9323 -7.5341 -7.5341 -4.9843 -4.9836 -4.2796 -4.2782 -3.9252 -3.9247 0.0790 0.0810 0.5567 0.5586 2.1152 2.1155 5.4998 5.5009 9.5893 9.5901 10.3397 10.3404 13.6017 13.6031 k = 0.4611 0.1077 0.2957 ( 3314 PWs) bands (ev): -47.4758 -47.4758 -22.6236 -22.6236 -19.5201 -19.5163 -19.3506 -19.3472 -19.3314 -19.3266 -17.9316 -17.9310 -7.5332 -7.5332 -4.9827 -4.9819 -4.2873 -4.2857 -3.9269 -3.9263 0.0701 0.0723 0.5603 0.5624 2.1180 2.1184 5.4908 5.4921 9.6096 9.6105 10.3596 10.3603 13.6108 13.6125 k = 0.4556 0.1125 0.3068 ( 3310 PWs) bands (ev): -47.4758 -47.4758 -22.6228 -22.6228 -19.5208 -19.5165 -19.3515 -19.3477 -19.3319 -19.3266 -17.9302 -17.9295 -7.5322 -7.5322 -4.9810 -4.9800 -4.2959 -4.2940 -3.9289 -3.9282 0.0600 0.0625 0.5644 0.5667 2.1211 2.1216 5.4806 5.4820 9.6328 9.6338 10.3823 10.3831 13.6211 13.6230 k = 0.4500 0.1173 0.3179 ( 3310 PWs) bands (ev): -47.4758 -47.4758 -22.6219 -22.6219 -19.5216 -19.5168 -19.3526 -19.3483 -19.3323 -19.3267 -17.9286 -17.9278 -7.5311 -7.5310 -4.9791 -4.9780 -4.3054 -4.3033 -3.9310 -3.9303 0.0489 0.0515 0.5689 0.5713 2.1247 2.1252 5.4692 5.4708 9.6588 9.6599 10.4079 10.4088 13.6324 13.6345 k = 0.4444 0.1221 0.3290 ( 3310 PWs) bands (ev): -47.4757 -47.4757 -22.6210 -22.6210 -19.5224 -19.5172 -19.3538 -19.3490 -19.3326 -19.3267 -17.9268 -17.9260 -7.5299 -7.5298 -4.9770 -4.9759 -4.3157 -4.3134 -3.9335 -3.9327 0.0367 0.0395 0.5737 0.5764 2.1285 2.1291 5.4567 5.4585 9.6875 9.6888 10.4363 10.4373 13.6445 13.6469 k = 0.4389 0.1269 0.3402 ( 3312 PWs) bands (ev): -47.4757 -47.4757 -22.6199 -22.6199 -19.5233 -19.5176 -19.3550 -19.3498 -19.3330 -19.3268 -17.9249 -17.9240 -7.5286 -7.5284 -4.9749 -4.9736 -4.3268 -4.3242 -3.9362 -3.9353 0.0236 0.0266 0.5790 0.5817 2.1327 2.1333 5.4432 5.4452 9.7189 9.7202 10.4674 10.4685 13.6573 13.6600 k = 0.4333 0.1317 0.3513 ( 3312 PWs) bands (ev): -47.4757 -47.4757 -22.6188 -22.6188 -19.5243 -19.5181 -19.3564 -19.3507 -19.3333 -19.3270 -17.9229 -17.9219 -7.5271 -7.5270 -4.9728 -4.9713 -4.3384 -4.3355 -3.9391 -3.9382 0.0097 0.0128 0.5845 0.5873 2.1372 2.1378 5.4288 5.4309 9.7527 9.7542 10.5012 10.5023 13.6704 13.6734 k = 0.4278 0.1365 0.3624 ( 3306 PWs) bands (ev): -47.4756 -47.4756 -22.6176 -22.6176 -19.5252 -19.5186 -19.3578 -19.3516 -19.3335 -19.3271 -17.9207 -17.9197 -7.5256 -7.5255 -4.9706 -4.9690 -4.3504 -4.3474 -3.9423 -3.9413 -0.0050 -0.0018 0.5904 0.5932 2.1419 2.1426 5.4135 5.4158 9.7890 9.7905 10.5374 10.5387 13.6836 13.6868 k = 0.4222 0.1413 0.3735 ( 3312 PWs) bands (ev): -47.4756 -47.4756 -22.6164 -22.6164 -19.5263 -19.5193 -19.3593 -19.3527 -19.3337 -19.3273 -17.9184 -17.9173 -7.5240 -7.5238 -4.9685 -4.9667 -4.3629 -4.3596 -3.9458 -3.9446 -0.0204 -0.0172 0.5964 0.5993 2.1469 2.1476 5.3974 5.3998 9.8275 9.8291 10.5761 10.5774 13.6964 13.6998 k = 0.4167 0.1461 0.3846 ( 3312 PWs) bands (ev): -47.4755 -47.4755 -22.6151 -22.6151 -19.5274 -19.5199 -19.3609 -19.3538 -19.3339 -19.3275 -17.9160 -17.9148 -7.5223 -7.5221 -4.9664 -4.9645 -4.3755 -4.3720 -3.9494 -3.9482 -0.0363 -0.0331 0.6027 0.6056 2.1521 2.1528 5.3807 5.3832 9.8682 9.8699 10.6171 10.6185 13.7082 13.7119 k = 0.4111 0.1509 0.3958 ( 3314 PWs) bands (ev): -47.4755 -47.4755 -22.6137 -22.6137 -19.5285 -19.5207 -19.3626 -19.3549 -19.3340 -19.3277 -17.9135 -17.9123 -7.5205 -7.5203 -4.9646 -4.9625 -4.3883 -4.3845 -3.9534 -3.9521 -0.0528 -0.0495 0.6091 0.6121 2.1575 2.1582 5.3633 5.3659 9.9109 9.9127 10.6602 10.6617 13.7183 13.7223 k = 0.4056 0.1556 0.4069 ( 3314 PWs) bands (ev): -47.4755 -47.4755 -22.6123 -22.6123 -19.5297 -19.5215 -19.3643 -19.3561 -19.3341 -19.3279 -17.9109 -17.9096 -7.5187 -7.5185 -4.9629 -4.9607 -4.4010 -4.3970 -3.9575 -3.9562 -0.0697 -0.0664 0.6157 0.6186 2.1630 2.1638 5.3454 5.3482 9.9555 9.9574 10.7054 10.7070 13.7258 13.7299 k = 0.4000 0.1604 0.4180 ( 3312 PWs) bands (ev): -47.4754 -47.4754 -22.6108 -22.6108 -19.5309 -19.5223 -19.3660 -19.3573 -19.3342 -19.3281 -17.9082 -17.9069 -7.5168 -7.5166 -4.9616 -4.9592 -4.4135 -4.4092 -3.9619 -3.9606 -0.0870 -0.0836 0.6223 0.6253 2.1686 2.1694 5.3271 5.3300 10.0019 10.0038 10.7525 10.7541 13.7292 13.7335 k = 0.3944 0.1652 0.4291 ( 3312 PWs) bands (ev): -47.4754 -47.4754 -22.6093 -22.6093 -19.5321 -19.5232 -19.3677 -19.3586 -19.3343 -19.3283 -17.9055 -17.9042 -7.5148 -7.5147 -4.9605 -4.9580 -4.4256 -4.4212 -3.9666 -3.9651 -0.1045 -0.1012 0.6291 0.6320 2.1743 2.1751 5.3085 5.3115 10.0499 10.0519 10.8013 10.8030 13.7270 13.7313 k = 0.3889 0.1700 0.4402 ( 3314 PWs) bands (ev): -47.4753 -47.4753 -22.6078 -22.6078 -19.5333 -19.5241 -19.3695 -19.3599 -19.3343 -19.3285 -17.9027 -17.9014 -7.5129 -7.5127 -4.9599 -4.9572 -4.4373 -4.4327 -3.9714 -3.9699 -0.1221 -0.1189 0.6358 0.6387 2.1801 2.1809 5.2896 5.2928 10.0995 10.1016 10.8516 10.8534 13.7172 13.7215 k = 0.3833 0.1748 0.4514 ( 3312 PWs) bands (ev): -47.4753 -47.4753 -22.6063 -22.6063 -19.5346 -19.5251 -19.3712 -19.3612 -19.3343 -19.3287 -17.8999 -17.8985 -7.5109 -7.5107 -4.9598 -4.9569 -4.4484 -4.4436 -3.9765 -3.9749 -0.1399 -0.1366 0.6426 0.6454 2.1859 2.1868 5.2706 5.2739 10.1505 10.1526 10.9034 10.9052 13.6981 13.7021 k = 0.3778 0.1796 0.4625 ( 3316 PWs) bands (ev): -47.4752 -47.4752 -22.6047 -22.6047 -19.5359 -19.5261 -19.3730 -19.3625 -19.3344 -19.3289 -17.8971 -17.8957 -7.5089 -7.5087 -4.9602 -4.9572 -4.4588 -4.4537 -3.9817 -3.9801 -0.1577 -0.1544 0.6493 0.6521 2.1917 2.1926 5.2516 5.2550 10.2028 10.2050 10.9563 10.9582 13.6685 13.6721 k = 0.3722 0.1844 0.4736 ( 3310 PWs) bands (ev): -47.4752 -47.4752 -22.6031 -22.6031 -19.5371 -19.5271 -19.3747 -19.3637 -19.3344 -19.3290 -17.8943 -17.8929 -7.5069 -7.5066 -4.9611 -4.9580 -4.4683 -4.4631 -3.9872 -3.9855 -0.1753 -0.1722 0.6560 0.6587 2.1975 2.1984 5.2326 5.2361 10.2563 10.2586 11.0102 11.0122 13.6283 13.6313 k = 0.3667 0.1892 0.4847 ( 3310 PWs) bands (ev): -47.4751 -47.4751 -22.6016 -22.6016 -19.5384 -19.5282 -19.3764 -19.3650 -19.3344 -19.3292 -17.8915 -17.8900 -7.5049 -7.5046 -4.9627 -4.9594 -4.4769 -4.4715 -3.9928 -3.9910 -0.1929 -0.1897 0.6626 0.6652 2.2033 2.2041 5.2138 5.2174 10.3109 10.3132 11.0649 11.0670 13.5785 13.5810 k = 0.3611 0.1940 0.4958 ( 3312 PWs) bands (ev): -47.4751 -47.4751 -22.6000 -22.6000 -19.5397 -19.5293 -19.3780 -19.3662 -19.3344 -19.3294 -17.8887 -17.8873 -7.5029 -7.5026 -4.9649 -4.9615 -4.4844 -4.4790 -3.9985 -3.9968 -0.2101 -0.2070 0.6691 0.6716 2.2089 2.2097 5.1952 5.1989 10.3665 10.3689 11.1202 11.1224 13.5210 13.5230 k = 0.3556 0.1988 0.5069 ( 3308 PWs) bands (ev): -47.4750 -47.4750 -22.5985 -22.5985 -19.5409 -19.5304 -19.3796 -19.3675 -19.3344 -19.3295 -17.8860 -17.8845 -7.5009 -7.5006 -4.9677 -4.9643 -4.4909 -4.4854 -4.0044 -4.0026 -0.2271 -0.2240 0.6754 0.6779 2.2145 2.2153 5.1769 5.1807 10.4230 10.4254 11.1758 11.1781 13.4574 13.4590 k = 0.3500 0.2036 0.5181 ( 3312 PWs) bands (ev): -47.4750 -47.4750 -22.5970 -22.5970 -19.5422 -19.5315 -19.3812 -19.3687 -19.3344 -19.3297 -17.8833 -17.8818 -7.4990 -7.4987 -4.9711 -4.9676 -4.4963 -4.4907 -4.0104 -4.0085 -0.2436 -0.2407 0.6816 0.6839 2.2199 2.2207 5.1590 5.1629 10.4802 10.4827 11.2315 11.2339 13.3895 13.3906 k = 0.3444 0.2084 0.5292 ( 3314 PWs) bands (ev): -47.4749 -47.4749 -22.5955 -22.5955 -19.5434 -19.5326 -19.3827 -19.3699 -19.3343 -19.3299 -17.8807 -17.8792 -7.4971 -7.4968 -4.9751 -4.9715 -4.5007 -4.4950 -4.0165 -4.0146 -0.2598 -0.2568 0.6876 0.6899 2.2251 2.2259 5.1416 5.1455 10.5380 10.5406 11.2870 11.2895 13.3185 13.3193 k = 0.3389 0.2131 0.5403 ( 3316 PWs) bands (ev): -47.4749 -47.4749 -22.5941 -22.5941 -19.5447 -19.5337 -19.3841 -19.3710 -19.3343 -19.3300 -17.8781 -17.8767 -7.4952 -7.4950 -4.9795 -4.9760 -4.5040 -4.4983 -4.0226 -4.0207 -0.2753 -0.2725 0.6934 0.6956 2.2302 2.2310 5.1247 5.1287 10.5964 10.5990 11.3422 11.3448 13.2454 13.2460 k = 0.3333 0.2179 0.5514 ( 3314 PWs) bands (ev): -47.4748 -47.4748 -22.5927 -22.5927 -19.5458 -19.5348 -19.3855 -19.3721 -19.3343 -19.3302 -17.8757 -17.8742 -7.4934 -7.4932 -4.9844 -4.9809 -4.5063 -4.5007 -4.0287 -4.0267 -0.2903 -0.2875 0.6990 0.7010 2.2351 2.2359 5.1085 5.1126 10.6551 10.6578 11.3968 11.3995 13.1710 13.1715 k = 0.3278 0.2227 0.5625 ( 3312 PWs) bands (ev): -47.4748 -47.4748 -22.5914 -22.5914 -19.5469 -19.5359 -19.3867 -19.3731 -19.3342 -19.3303 -17.8733 -17.8719 -7.4917 -7.4914 -4.9896 -4.9861 -4.5077 -4.5021 -4.0348 -4.0328 -0.3046 -0.3018 0.7043 0.7062 2.2398 2.2405 5.0930 5.0971 10.7140 10.7168 11.4504 11.4533 13.0960 13.0963 k = 0.3222 0.2275 0.5737 ( 3312 PWs) bands (ev): -47.4748 -47.4748 -22.5901 -22.5901 -19.5480 -19.5369 -19.3879 -19.3741 -19.3342 -19.3304 -17.8711 -17.8696 -7.4901 -7.4898 -4.9950 -4.9916 -4.5082 -4.5027 -4.0408 -4.0388 -0.3182 -0.3155 0.7093 0.7112 2.2443 2.2449 5.0782 5.0824 10.7730 10.7759 11.5029 11.5059 13.0208 13.0211 k = 0.3167 0.2323 0.5848 ( 3316 PWs) bands (ev): -47.4747 -47.4747 -22.5889 -22.5889 -19.5491 -19.5379 -19.3891 -19.3750 -19.3342 -19.3305 -17.8690 -17.8675 -7.4886 -7.4883 -5.0006 -4.9972 -4.5080 -4.5026 -4.0467 -4.0447 -0.3311 -0.3284 0.7140 0.7158 2.2484 2.2491 5.0643 5.0686 10.8318 10.8347 11.5540 11.5571 12.9460 12.9462 k = 0.3111 0.2371 0.5959 ( 3318 PWs) bands (ev): -47.4747 -47.4747 -22.5878 -22.5878 -19.5501 -19.5389 -19.3901 -19.3759 -19.3341 -19.3307 -17.8670 -17.8655 -7.4871 -7.4868 -5.0062 -5.0028 -4.5073 -4.5020 -4.0524 -4.0505 -0.3431 -0.3404 0.7184 0.7201 2.2524 2.2529 5.0512 5.0556 10.8901 10.8931 11.6033 11.6066 12.8718 12.8721 k = 0.3056 0.2419 0.6070 ( 3314 PWs) bands (ev): -47.4747 -47.4747 -22.5867 -22.5867 -19.5510 -19.5397 -19.3911 -19.3766 -19.3341 -19.3307 -17.8652 -17.8637 -7.4857 -7.4854 -5.0116 -5.0084 -4.5060 -4.5008 -4.0579 -4.0560 -0.3541 -0.3515 0.7225 0.7241 2.2560 2.2565 5.0392 5.0436 10.9476 10.9507 11.6507 11.6541 12.7988 12.7992 k = 0.3000 0.2467 0.6181 ( 3320 PWs) bands (ev): -47.4746 -47.4746 -22.5858 -22.5858 -19.5518 -19.5406 -19.3920 -19.3774 -19.3340 -19.3309 -17.8635 -17.8620 -7.4845 -7.4842 -5.0169 -5.0137 -4.5044 -4.4993 -4.0632 -4.0613 -0.3643 -0.3617 0.7263 0.7278 2.2593 2.2598 5.0281 5.0325 11.0039 11.0072 11.6958 11.6994 12.7274 12.7279 k = 0.2944 0.2515 0.6293 ( 3318 PWs) bands (ev): -47.4746 -47.4746 -22.5849 -22.5849 -19.5526 -19.5413 -19.3927 -19.3780 -19.3340 -19.3309 -17.8620 -17.8605 -7.4834 -7.4831 -5.0219 -5.0188 -4.5025 -4.4976 -4.0681 -4.0662 -0.3736 -0.3710 0.7297 0.7311 2.2623 2.2628 5.0180 5.0225 11.0585 11.0619 11.7384 11.7423 12.6581 12.6588 k = 0.2889 0.2563 0.6404 ( 3316 PWs) bands (ev): -47.4746 -47.4746 -22.5841 -22.5841 -19.5533 -19.5420 -19.3934 -19.3786 -19.3339 -19.3310 -17.8606 -17.8591 -7.4824 -7.4820 -5.0266 -5.0235 -4.5005 -4.4958 -4.0726 -4.0707 -0.3818 -0.3792 0.7328 0.7341 2.2650 2.2654 5.0091 5.0136 11.1108 11.1143 11.7784 11.7824 12.5915 12.5925 k = 0.2833 0.2611 0.6515 ( 3312 PWs) bands (ev): -47.4746 -47.4746 -22.5834 -22.5834 -19.5538 -19.5426 -19.3940 -19.3791 -19.3339 -19.3310 -17.8594 -17.8579 -7.4815 -7.4811 -5.0307 -5.0277 -4.4985 -4.4939 -4.0767 -4.0748 -0.3889 -0.3864 0.7354 0.7367 2.2674 2.2677 5.0013 5.0058 11.1599 11.1636 11.8153 11.8197 12.5284 12.5296 k = 0.2778 0.2659 0.6626 ( 3308 PWs) bands (ev): -47.4745 -47.4745 -22.5828 -22.5828 -19.5543 -19.5431 -19.3945 -19.3795 -19.3338 -19.3311 -17.8584 -17.8569 -7.4807 -7.4804 -5.0344 -5.0314 -4.4966 -4.4921 -4.0802 -4.0784 -0.3951 -0.3926 0.7377 0.7389 2.2694 2.2697 4.9946 4.9992 11.2049 11.2087 11.8490 11.8537 12.4696 12.4713 k = 0.2722 0.2707 0.6737 ( 3310 PWs) bands (ev): -47.4745 -47.4745 -22.5823 -22.5823 -19.5548 -19.5435 -19.3949 -19.3798 -19.3338 -19.3312 -17.8575 -17.8561 -7.4801 -7.4798 -5.0374 -5.0345 -4.4949 -4.4906 -4.0832 -4.0814 -0.4001 -0.3976 0.7395 0.7407 2.2711 2.2713 4.9891 4.9937 11.2445 11.2485 11.8791 11.8842 12.4165 12.4186 k = 0.2667 0.2754 0.6848 ( 3314 PWs) bands (ev): -47.4745 -47.4745 -22.5820 -22.5820 -19.5551 -19.5439 -19.3952 -19.3801 -19.3338 -19.3312 -17.8569 -17.8554 -7.4796 -7.4793 -5.0398 -5.0370 -4.4936 -4.4893 -4.0856 -4.0838 -0.4041 -0.4016 0.7410 0.7421 2.2724 2.2726 4.9848 4.9894 11.2775 11.2816 11.9050 11.9105 12.3708 12.3734 k = 0.2611 0.2802 0.6960 ( 3316 PWs) bands (ev): -47.4745 -47.4745 -22.5817 -22.5817 -19.5554 -19.5442 -19.3955 -19.3803 -19.3338 -19.3312 -17.8564 -17.8549 -7.4793 -7.4789 -5.0416 -5.0388 -4.4925 -4.4883 -4.0873 -4.0856 -0.4069 -0.4045 0.7420 0.7431 2.2733 2.2734 4.9817 4.9863 11.3024 11.3066 11.9255 11.9315 12.3347 12.3379 k = 0.2556 0.2850 0.7071 ( 3318 PWs) bands (ev): -47.4745 -47.4745 -22.5815 -22.5815 -19.5555 -19.5443 -19.3956 -19.3805 -19.3338 -19.3313 -17.8561 -17.8547 -7.4791 -7.4787 -5.0427 -5.0399 -4.4918 -4.4877 -4.0884 -4.0866 -0.4086 -0.4062 0.7427 0.7437 2.2739 2.2740 4.9798 4.9844 11.3179 11.3222 11.9390 11.9454 12.3113 12.3148 k = 0.2500 0.2898 0.7182 ( 3320 PWs) bands (ev): -47.4745 -47.4745 -22.5815 -22.5815 -19.5556 -19.5444 -19.3957 -19.3805 -19.3338 -19.3313 -17.8560 -17.8546 -7.4790 -7.4786 -5.0430 -5.0402 -4.4916 -4.4875 -4.0887 -4.0870 -0.4092 -0.4068 0.7429 0.7439 2.2741 2.2741 4.9792 4.9838 11.3232 11.3275 11.9437 11.9503 12.3030 12.3068 k = 0.3360-0.2898 0.7182 ( 3320 PWs) bands (ev): -47.4749 -47.4749 -22.5773 -22.5770 -19.5439 -19.5395 -19.3790 -19.3762 -19.3466 -19.3398 -17.8952 -17.8951 -7.7464 -7.7458 -4.7422 -4.7390 -4.4399 -4.4392 -4.1661 -4.1619 -0.0952 -0.0925 1.2015 1.2043 2.1360 2.1377 5.1714 5.1729 11.0465 11.0497 11.3937 11.3957 11.9684 11.9691 k = 0.3415-0.2946 0.7072 ( 3318 PWs) bands (ev): -47.4749 -47.4749 -22.5773 -22.5771 -19.5445 -19.5403 -19.3798 -19.3770 -19.3465 -19.3398 -17.8953 -17.8952 -7.7547 -7.7540 -4.7241 -4.7210 -4.4380 -4.4372 -4.1714 -4.1673 -0.0764 -0.0738 1.2077 1.2106 2.1349 2.1367 5.1986 5.2000 11.0299 11.0329 11.3354 11.3373 11.9477 11.9484 k = 0.3470-0.2993 0.6963 ( 3314 PWs) bands (ev): -47.4749 -47.4749 -22.5774 -22.5772 -19.5452 -19.5411 -19.3807 -19.3777 -19.3463 -19.3397 -17.8953 -17.8952 -7.7628 -7.7622 -4.7057 -4.7026 -4.4362 -4.4354 -4.1767 -4.1727 -0.0575 -0.0548 1.2137 1.2166 2.1337 2.1355 5.2260 5.2274 11.0105 11.0133 11.2762 11.2780 11.9275 11.9281 k = 0.3524-0.3040 0.6853 ( 3314 PWs) bands (ev): -47.4750 -47.4750 -22.5776 -22.5773 -19.5459 -19.5419 -19.3816 -19.3785 -19.3462 -19.3397 -17.8954 -17.8953 -7.7709 -7.7703 -4.6869 -4.6839 -4.4345 -4.4337 -4.1820 -4.1780 -0.0384 -0.0358 1.2195 1.2223 2.1323 2.1342 5.2536 5.2550 10.9887 10.9914 11.2159 11.2176 11.9079 11.9083 k = 0.3579-0.3087 0.6743 ( 3313 PWs) bands (ev): -47.4750 -47.4750 -22.5778 -22.5775 -19.5466 -19.5428 -19.3824 -19.3793 -19.3460 -19.3396 -17.8954 -17.8953 -7.7789 -7.7782 -4.6679 -4.6649 -4.4329 -4.4321 -4.1872 -4.1834 -0.0193 -0.0167 1.2250 1.2279 2.1308 2.1327 5.2812 5.2826 10.9649 10.9674 11.1549 11.1565 11.8889 11.8892 k = 0.3634-0.3135 0.6633 ( 3307 PWs) bands (ev): -47.4751 -47.4751 -22.5780 -22.5777 -19.5473 -19.5437 -19.3832 -19.3801 -19.3457 -19.3395 -17.8954 -17.8952 -7.7867 -7.7860 -4.6487 -4.6458 -4.4314 -4.4306 -4.1924 -4.1887 -0.0001 0.0025 1.2303 1.2331 2.1292 2.1312 5.3089 5.3102 10.9396 10.9418 11.0934 11.0948 11.8706 11.8707 k = 0.3689-0.3182 0.6523 ( 3309 PWs) bands (ev): -47.4751 -47.4751 -22.5782 -22.5780 -19.5481 -19.5445 -19.3840 -19.3809 -19.3454 -19.3394 -17.8953 -17.8952 -7.7943 -7.7937 -4.6295 -4.6267 -4.4300 -4.4291 -4.1976 -4.1939 0.0189 0.0215 1.2353 1.2382 2.1276 2.1295 5.3363 5.3376 10.9129 10.9148 11.0318 11.0330 11.8520 11.8528 k = 0.3744-0.3229 0.6414 ( 3302 PWs) bands (ev): -47.4751 -47.4751 -22.5785 -22.5782 -19.5488 -19.5454 -19.3848 -19.3816 -19.3451 -19.3393 -17.8952 -17.8951 -7.8017 -7.8011 -4.6104 -4.6076 -4.4287 -4.4278 -4.2026 -4.1990 0.0379 0.0404 1.2401 1.2430 2.1258 2.1278 5.3636 5.3648 10.8847 10.8863 10.9709 10.9718 11.8245 11.8281 k = 0.3799-0.3277 0.6304 ( 3302 PWs) bands (ev): -47.4752 -47.4752 -22.5787 -22.5785 -19.5496 -19.5463 -19.3855 -19.3823 -19.3448 -19.3392 -17.8952 -17.8950 -7.8090 -7.8084 -4.5913 -4.5886 -4.4275 -4.4266 -4.2075 -4.2040 0.0565 0.0590 1.2447 1.2475 2.1240 2.1261 5.3905 5.3916 10.8541 10.8552 10.9123 10.9131 11.7731 11.7756 k = 0.3854-0.3324 0.6194 ( 3296 PWs) bands (ev): -47.4752 -47.4752 -22.5790 -22.5788 -19.5503 -19.5471 -19.3862 -19.3830 -19.3444 -19.3391 -17.8951 -17.8949 -7.8160 -7.8154 -4.5726 -4.5699 -4.4264 -4.4254 -4.2123 -4.2089 0.0749 0.0773 1.2490 1.2518 2.1222 2.1243 5.4169 5.4180 10.8167 10.8175 10.8605 10.8619 11.7198 11.7220 k = 0.3908-0.3371 0.6084 ( 3294 PWs) bands (ev): -47.4753 -47.4753 -22.5793 -22.5791 -19.5511 -19.5479 -19.3869 -19.3837 -19.3440 -19.3389 -17.8950 -17.8948 -7.8227 -7.8222 -4.5541 -4.5515 -4.4254 -4.4244 -4.2170 -4.2136 0.0928 0.0951 1.2531 1.2558 2.1204 2.1225 5.4427 5.4437 10.7674 10.7686 10.8215 10.8233 11.6682 11.6703 k = 0.3963-0.3419 0.5975 ( 3294 PWs) bands (ev): -47.4753 -47.4753 -22.5796 -22.5794 -19.5518 -19.5488 -19.3875 -19.3844 -19.3436 -19.3388 -17.8948 -17.8947 -7.8292 -7.8287 -4.5361 -4.5336 -4.4244 -4.4234 -4.2215 -4.2182 0.1102 0.1125 1.2569 1.2595 2.1185 2.1207 5.4679 5.4688 10.7119 10.7132 10.7908 10.7926 11.6189 11.6208 k = 0.4018-0.3466 0.5865 ( 3290 PWs) bands (ev): -47.4753 -47.4753 -22.5799 -22.5798 -19.5525 -19.5496 -19.3881 -19.3850 -19.3432 -19.3387 -17.8947 -17.8946 -7.8354 -7.8349 -4.5186 -4.5162 -4.4235 -4.4225 -4.2258 -4.2226 0.1272 0.1293 1.2604 1.2631 2.1167 2.1189 5.4922 5.4931 10.6557 10.6568 10.7634 10.7651 11.5719 11.5737 k = 0.4073-0.3513 0.5755 ( 3298 PWs) bands (ev): -47.4754 -47.4754 -22.5802 -22.5801 -19.5533 -19.5504 -19.3887 -19.3856 -19.3429 -19.3386 -17.8946 -17.8944 -7.8413 -7.8408 -4.5018 -4.4994 -4.4227 -4.4216 -4.2300 -4.2268 0.1434 0.1454 1.2637 1.2663 2.1149 2.1171 5.5156 5.5164 10.6006 10.6015 10.7378 10.7393 11.5273 11.5290 k = 0.4128-0.3561 0.5645 ( 3298 PWs) bands (ev): -47.4754 -47.4754 -22.5805 -22.5804 -19.5540 -19.5512 -19.3892 -19.3862 -19.3425 -19.3385 -17.8945 -17.8943 -7.8468 -7.8463 -4.4856 -4.4833 -4.4220 -4.4208 -4.2339 -4.2308 0.1589 0.1608 1.2667 1.2693 2.1131 2.1154 5.5380 5.5388 10.5474 10.5482 10.7136 10.7151 11.4854 11.4870 k = 0.4183-0.3608 0.5536 ( 3296 PWs) bands (ev): -47.4754 -47.4754 -22.5808 -22.5807 -19.5546 -19.5519 -19.3897 -19.3867 -19.3421 -19.3384 -17.8943 -17.8942 -7.8520 -7.8516 -4.4702 -4.4680 -4.4213 -4.4201 -4.2376 -4.2346 0.1736 0.1754 1.2695 1.2720 2.1114 2.1137 5.5592 5.5599 10.4966 10.4974 10.6908 10.6922 11.4462 11.4477 k = 0.4237-0.3655 0.5426 ( 3298 PWs) bands (ev): -47.4755 -47.4755 -22.5811 -22.5810 -19.5553 -19.5526 -19.3901 -19.3872 -19.3417 -19.3383 -17.8942 -17.8940 -7.8568 -7.8564 -4.4558 -4.4537 -4.4205 -4.4193 -4.2410 -4.2381 0.1874 0.1892 1.2721 1.2745 2.1098 2.1121 5.5792 5.5799 10.4487 10.4494 10.6695 10.6708 11.4098 11.4112 k = 0.4292-0.3702 0.5316 ( 3300 PWs) bands (ev): -47.4755 -47.4755 -22.5814 -22.5813 -19.5559 -19.5532 -19.3906 -19.3876 -19.3414 -19.3382 -17.8941 -17.8939 -7.8613 -7.8609 -4.4425 -4.4406 -4.4197 -4.4185 -4.2443 -4.2414 0.2003 0.2019 1.2745 1.2768 2.1083 2.1106 5.5978 5.5984 10.4040 10.4047 10.6497 10.6509 11.3762 11.3775 k = 0.4347-0.3750 0.5206 ( 3307 PWs) bands (ev): -47.4755 -47.4755 -22.5816 -22.5815 -19.5565 -19.5538 -19.3910 -19.3881 -19.3410 -19.3382 -17.8940 -17.8938 -7.8654 -7.8650 -4.4307 -4.4291 -4.4184 -4.4171 -4.2472 -4.2445 0.2122 0.2136 1.2765 1.2788 2.1068 2.1092 5.6150 5.6155 10.3628 10.3634 10.6314 10.6326 11.3456 11.3468 k = 0.4402-0.3797 0.5096 ( 3303 PWs) bands (ev): -47.4756 -47.4756 -22.5819 -22.5818 -19.5570 -19.5543 -19.3913 -19.3884 -19.3407 -19.3382 -17.8939 -17.8937 -7.8690 -7.8688 -4.4226 -4.4220 -4.4143 -4.4127 -4.2499 -4.2473 0.2230 0.2243 1.2784 1.2807 2.1055 2.1079 5.6307 5.6311 10.3252 10.3258 10.6149 10.6160 11.3180 11.3192 k = 0.4457-0.3844 0.4987 ( 3304 PWs) bands (ev): -47.4756 -47.4756 -22.5821 -22.5820 -19.5574 -19.5548 -19.3916 -19.3887 -19.3403 -19.3381 -17.8938 -17.8936 -7.8723 -7.8721 -4.4205 -4.4195 -4.4061 -4.4043 -4.2523 -4.2498 0.2327 0.2339 1.2801 1.2822 2.1044 2.1067 5.6447 5.6451 10.2916 10.2921 10.6001 10.6012 11.2935 11.2946 k = 0.4512-0.3892 0.4877 ( 3300 PWs) bands (ev): -47.4756 -47.4756 -22.5823 -22.5822 -19.5578 -19.5552 -19.3918 -19.3890 -19.3400 -19.3381 -17.8937 -17.8935 -7.8752 -7.8749 -4.4198 -4.4186 -4.3975 -4.3958 -4.2543 -4.2521 0.2413 0.2423 1.2815 1.2836 2.1033 2.1057 5.6570 5.6574 10.2621 10.2626 10.5872 10.5883 11.2722 11.2732 k = 0.4567-0.3939 0.4767 ( 3300 PWs) bands (ev): -47.4756 -47.4756 -22.5824 -22.5824 -19.5582 -19.5556 -19.3920 -19.3892 -19.3397 -19.3381 -17.8936 -17.8934 -7.8776 -7.8774 -4.4193 -4.4181 -4.3898 -4.3883 -4.2561 -4.2540 0.2486 0.2495 1.2827 1.2847 2.1024 2.1048 5.6676 5.6679 10.2369 10.2373 10.5761 10.5772 11.2541 11.2550 k = 0.4621-0.3986 0.4657 ( 3297 PWs) bands (ev): -47.4756 -47.4756 -22.5826 -22.5825 -19.5584 -19.5559 -19.3922 -19.3894 -19.3394 -19.3381 -17.8936 -17.8933 -7.8796 -7.8794 -4.4190 -4.4178 -4.3834 -4.3821 -4.2576 -4.2556 0.2547 0.2554 1.2837 1.2857 2.1017 2.1041 5.6763 5.6766 10.2160 10.2165 10.5670 10.5681 11.2392 11.2400 k = 0.4676-0.4034 0.4548 ( 3295 PWs) bands (ev): -47.4756 -47.4756 -22.5827 -22.5826 -19.5587 -19.5561 -19.3923 -19.3896 -19.3392 -19.3382 -17.8935 -17.8933 -7.8811 -7.8810 -4.4188 -4.4175 -4.3783 -4.3773 -4.2587 -4.2569 0.2594 0.2599 1.2844 1.2864 2.1011 2.1035 5.6832 5.6834 10.1997 10.2001 10.5598 10.5609 11.2275 11.2283 k = 0.4731-0.4081 0.4438 ( 3299 PWs) bands (ev): -47.4756 -47.4756 -22.5827 -22.5827 -19.5588 -19.5563 -19.3924 -19.3897 -19.3390 -19.3383 -17.8935 -17.8933 -7.8822 -7.8821 -4.4187 -4.4174 -4.3746 -4.3739 -4.2595 -4.2579 0.2628 0.2632 1.2850 1.2869 2.1007 2.1031 5.6882 5.6883 10.1880 10.1884 10.5547 10.5558 11.2192 11.2200 k = 0.4786-0.4128 0.4328 ( 3296 PWs) bands (ev): -47.4756 -47.4756 -22.5828 -22.5827 -19.5589 -19.5564 -19.3924 -19.3898 -19.3387 -19.3384 -17.8934 -17.8932 -7.8829 -7.8828 -4.4186 -4.4173 -4.3722 -4.3719 -4.2599 -4.2585 0.2650 0.2651 1.2853 1.2872 2.1004 2.1029 5.6912 5.6912 10.1809 10.1814 10.5516 10.5527 11.2142 11.2150 k = 0.4841-0.4176 0.4218 ( 3298 PWs) bands (ev): -47.4757 -47.4757 -22.5828 -22.5828 -19.5590 -19.5564 -19.3925 -19.3898 -19.3386 -19.3386 -17.8934 -17.8932 -7.8831 -7.8830 -4.4186 -4.4172 -4.3714 -4.3713 -4.2601 -4.2587 0.2657 0.2657 1.2854 1.2873 2.1003 2.1028 5.6922 5.6922 10.1786 10.1790 10.5506 10.5517 11.2125 11.2133 k = 0.5159 0.5659 0.0139 ( 3298 PWs) bands (ev): -47.4757 -47.4757 -22.5828 -22.5828 -19.5590 -19.5564 -19.3925 -19.3898 -19.3386 -19.3386 -17.8934 -17.8932 -7.8831 -7.8830 -4.4186 -4.4172 -4.3714 -4.3713 -4.2601 -4.2587 0.2657 0.2657 1.2854 1.2873 2.1003 2.1028 5.6922 5.6922 10.1786 10.1790 10.5506 10.5517 11.2125 11.2133 k = 0.5080 0.5728 0.0069 ( 3292 PWs) bands (ev): -47.4756 -47.4756 -22.5826 -22.5826 -19.5586 -19.5573 -19.3920 -19.3906 -19.3386 -19.3386 -17.8930 -17.8929 -7.8849 -7.8848 -4.4152 -4.4145 -4.3717 -4.3717 -4.2619 -4.2612 0.2663 0.2663 1.2930 1.2939 2.0983 2.0995 5.6927 5.6927 10.1762 10.1764 10.5698 10.5703 11.1838 11.1842 k = 0.5000 0.5796-0.0000 ( 3292 PWs) bands (ev): -47.4756 -47.4756 -22.5826 -22.5826 -19.5580 -19.5580 -19.3914 -19.3914 -19.3386 -19.3386 -17.8928 -17.8928 -7.8855 -7.8855 -4.4139 -4.4139 -4.3718 -4.3718 -4.2623 -4.2623 0.2665 0.2665 1.2958 1.2958 2.0980 2.0980 5.6929 5.6929 10.1755 10.1755 10.5769 10.5769 11.1739 11.1739 Writing output data file NaNO2.save init_run : 1.82s CPU 11.35s WALL ( 1 calls) electrons : 359.62s CPU 389.53s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.05s WALL ( 1 calls) potinit : 0.63s CPU 2.06s WALL ( 1 calls) Called by electrons: c_bands : 359.56s CPU 389.08s WALL ( 1 calls) v_of_rho : 0.24s CPU 0.82s WALL ( 1 calls) v_h : 0.08s CPU 0.08s WALL ( 1 calls) v_xc : 0.16s CPU 0.65s WALL ( 1 calls) newd : 0.04s CPU 0.40s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.10s WALL ( 459 calls) cegterg : 333.38s CPU 357.03s WALL ( 824 calls) Called by sum_band: Called by *egterg: h_psi : 177.11s CPU 197.26s WALL ( 13705 calls) s_psi : 5.02s CPU 5.70s WALL ( 13705 calls) g_psi : 0.34s CPU 0.60s WALL ( 12422 calls) cdiaghg : 105.66s CPU 108.55s WALL ( 12881 calls) cegterg:over : 27.94s CPU 25.98s WALL ( 12422 calls) cegterg:upda : 3.43s CPU 6.66s WALL ( 12422 calls) cegterg:last : 3.87s CPU 5.16s WALL ( 2449 calls) Called by h_psi: h_psi:vloc : 160.16s CPU 178.70s WALL ( 13705 calls) h_psi:vnl : 16.83s CPU 18.17s WALL ( 13705 calls) add_vuspsi : 2.36s CPU 5.09s WALL ( 13705 calls) General routines calbec : 14.44s CPU 12.99s WALL ( 13705 calls) fft : 0.61s CPU 1.66s WALL ( 19 calls) ffts : 0.01s CPU 0.53s WALL ( 4 calls) fftw : 154.77s CPU 171.56s WALL ( 996656 calls) interpolate : 0.26s CPU 0.78s WALL ( 4 calls) davcio : 0.03s CPU 1.27s WALL ( 918 calls) Parallel routines fft_scatter : 101.12s CPU 111.98s WALL ( 996679 calls) PWSCF : 6m48.49s CPU 8m42.12s WALL This run was terminated on: 18:22: 1 8Oct2015 =------------------------------------------------------------------------------= JOB DONE. 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