Program PWSCF v.5.1.1 starts on 9Oct2015 at 15:59:12 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./NaNO2.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 34 28 8 734 545 87 Max 35 29 9 736 559 89 Sum 1645 1357 403 35277 26569 4213 bravais-lattice index = 14 lattice parameter (alat) = 8.0430 a.u. unit-cell volume = 358.3042 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 26.00 number of Kohn-Sham states= 34 kinetic-energy cutoff = 67.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.043027 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.652155 celldm(5)= -0.201099 celldm(6)= -0.146746 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.146746 0.989174 0.000000 ) a(3) = ( -0.201099 -0.689126 0.696179 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.148352 0.435710 ) b(2) = ( 0.000000 1.010944 1.000703 ) b(3) = ( 0.000000 0.000000 1.436413 ) PseudoPot. # 1 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Na read from file: /home/autes/Pseudo/Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 13bcaa2858b974004ed12db349b14e76 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1121 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for N read from file: /home/autes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Na 9.00 22.98980 Na( 1.00) N 5.00 14.00670 N( 1.00) No symmetry found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 459 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021786 k( 2) = ( -0.0055860 0.0048184 0.0111798), wk = 0.0021786 k( 3) = ( -0.0111720 0.0096369 0.0223597), wk = 0.0021786 k( 4) = ( -0.0167580 0.0144553 0.0335395), wk = 0.0021786 k( 5) = ( -0.0223439 0.0192737 0.0447193), wk = 0.0021786 k( 6) = ( -0.0279299 0.0240921 0.0558991), wk = 0.0021786 k( 7) = ( -0.0335159 0.0289106 0.0670790), wk = 0.0021786 k( 8) = ( -0.0391019 0.0337290 0.0782588), wk = 0.0021786 k( 9) = ( -0.0446879 0.0385474 0.0894386), wk = 0.0021786 k( 10) = ( -0.0502739 0.0433658 0.1006184), wk = 0.0021786 k( 11) = ( -0.0558599 0.0481843 0.1117983), wk = 0.0021786 k( 12) = ( -0.0614459 0.0530027 0.1229781), wk = 0.0021786 k( 13) = ( -0.0670318 0.0578211 0.1341579), wk = 0.0021786 k( 14) = ( -0.0726178 0.0626396 0.1453378), wk = 0.0021786 k( 15) = ( -0.0782038 0.0674580 0.1565176), wk = 0.0021786 k( 16) = ( -0.0837898 0.0722764 0.1676974), wk = 0.0021786 k( 17) = ( -0.0893758 0.0770948 0.1788773), wk = 0.0021786 k( 18) = ( -0.0949618 0.0819133 0.1900571), wk = 0.0021786 k( 19) = ( -0.1005478 0.0867317 0.2012369), wk = 0.0021786 k( 20) = ( -0.1061337 0.0915501 0.2124167), wk = 0.0021786 k( 21) = ( -0.1117197 0.0963685 0.2235966), wk = 0.0021786 k( 22) = ( -0.1173057 0.1011870 0.2347764), wk = 0.0021786 k( 23) = ( -0.1228917 0.1060054 0.2459562), wk = 0.0021786 k( 24) = ( -0.1284777 0.1108238 0.2571360), wk = 0.0021786 k( 25) = ( -0.1340637 0.1156423 0.2683159), wk = 0.0021786 k( 26) = ( -0.1396496 0.1204607 0.2794957), wk = 0.0021786 k( 27) = ( -0.1452356 0.1252791 0.2906755), wk = 0.0021786 k( 28) = ( -0.1508216 0.1300975 0.3018553), wk = 0.0021786 k( 29) = ( -0.1564076 0.1349160 0.3130352), wk = 0.0021786 k( 30) = ( -0.1619936 0.1397344 0.3242150), wk = 0.0021786 k( 31) = ( -0.1675796 0.1445528 0.3353948), wk = 0.0021786 k( 32) = ( -0.1731656 0.1493713 0.3465747), wk = 0.0021786 k( 33) = ( -0.1787516 0.1541897 0.3577545), wk = 0.0021786 k( 34) = ( -0.1843375 0.1590081 0.3689343), wk = 0.0021786 k( 35) = ( -0.1899235 0.1638265 0.3801141), wk = 0.0021786 k( 36) = ( -0.1955095 0.1686450 0.3912940), wk = 0.0021786 k( 37) = ( -0.2010955 0.1734634 0.4024738), wk = 0.0021786 k( 38) = ( -0.2066815 0.1782818 0.4136536), wk = 0.0021786 k( 39) = ( -0.2122675 0.1831002 0.4248335), wk = 0.0021786 k( 40) = ( -0.2178535 0.1879187 0.4360133), wk = 0.0021786 k( 41) = ( -0.2234394 0.1927371 0.4471931), wk = 0.0021786 k( 42) = ( -0.2290254 0.1975555 0.4583730), wk = 0.0021786 k( 43) = ( -0.2346114 0.2023740 0.4695528), wk = 0.0021786 k( 44) = ( -0.2401974 0.2071924 0.4807326), wk = 0.0021786 k( 45) = ( -0.2457834 0.2120108 0.4919124), wk = 0.0021786 k( 46) = ( -0.2513694 0.2168292 0.5030923), wk = 0.0021786 k( 47) = ( -0.2569554 0.2216477 0.5142721), wk = 0.0021786 k( 48) = ( -0.2625413 0.2264661 0.5254519), wk = 0.0021786 k( 49) = ( -0.2681273 0.2312845 0.5366317), wk = 0.0021786 k( 50) = ( -0.2737133 0.2361029 0.5478116), wk = 0.0021786 k( 51) = ( -0.2792993 0.2409214 0.5589914), wk = 0.0021786 k( 52) = ( -0.2848853 0.2457398 0.5701712), wk = 0.0021786 k( 53) = ( -0.2904713 0.2505582 0.5813510), wk = 0.0021786 k( 54) = ( -0.2960573 0.2553767 0.5925309), wk = 0.0021786 k( 55) = ( -0.3016432 0.2601951 0.6037107), wk = 0.0021786 k( 56) = ( -0.3072292 0.2650135 0.6148905), wk = 0.0021786 k( 57) = ( -0.3128152 0.2698319 0.6260704), wk = 0.0021786 k( 58) = ( -0.3184012 0.2746504 0.6372502), wk = 0.0021786 k( 59) = ( -0.3239872 0.2794688 0.6484300), wk = 0.0021786 k( 60) = ( -0.3295732 0.2842872 0.6596098), wk = 0.0021786 k( 61) = ( -0.3351592 0.2891056 0.6707897), wk = 0.0021786 k( 62) = ( -0.3407451 0.2939241 0.6819695), wk = 0.0021786 k( 63) = ( -0.3463311 0.2987425 0.6931493), wk = 0.0021786 k( 64) = ( -0.3519171 0.3035609 0.7043292), wk = 0.0021786 k( 65) = ( -0.3519171 0.3035609 0.7043292), wk = 0.0021786 k( 66) = ( -0.3439546 0.2966925 0.7112678), wk = 0.0021786 k( 67) = ( -0.3359921 0.2898241 0.7182065), wk = 0.0021786 k( 68) = ( -0.3359921 0.2898241 0.7182065), wk = 0.0021786 k( 69) = ( -0.3258105 0.2810416 0.7182065), wk = 0.0021786 k( 70) = ( -0.3156289 0.2722590 0.7182065), wk = 0.0021786 k( 71) = ( -0.3054474 0.2634765 0.7182065), wk = 0.0021786 k( 72) = ( -0.2952658 0.2546939 0.7182065), wk = 0.0021786 k( 73) = ( -0.2850842 0.2459114 0.7182065), wk = 0.0021786 k( 74) = ( -0.2749026 0.2371288 0.7182065), wk = 0.0021786 k( 75) = ( -0.2647210 0.2283463 0.7182065), wk = 0.0021786 k( 76) = ( -0.2545395 0.2195637 0.7182065), wk = 0.0021786 k( 77) = ( -0.2443579 0.2107812 0.7182065), wk = 0.0021786 k( 78) = ( -0.2341763 0.2019986 0.7182065), wk = 0.0021786 k( 79) = ( -0.2239947 0.1932161 0.7182065), wk = 0.0021786 k( 80) = ( -0.2138132 0.1844335 0.7182065), wk = 0.0021786 k( 81) = ( -0.2036316 0.1756510 0.7182065), wk = 0.0021786 k( 82) = ( -0.1934500 0.1668684 0.7182065), wk = 0.0021786 k( 83) = ( -0.1832684 0.1580859 0.7182065), wk = 0.0021786 k( 84) = ( -0.1730868 0.1493033 0.7182065), wk = 0.0021786 k( 85) = ( -0.1629053 0.1405208 0.7182065), wk = 0.0021786 k( 86) = ( -0.1527237 0.1317382 0.7182065), wk = 0.0021786 k( 87) = ( -0.1425421 0.1229557 0.7182065), wk = 0.0021786 k( 88) = ( -0.1323605 0.1141731 0.7182065), wk = 0.0021786 k( 89) = ( -0.1221789 0.1053906 0.7182065), wk = 0.0021786 k( 90) = ( -0.1119974 0.0966080 0.7182065), wk = 0.0021786 k( 91) = ( -0.1018158 0.0878255 0.7182065), wk = 0.0021786 k( 92) = ( -0.0916342 0.0790429 0.7182065), wk = 0.0021786 k( 93) = ( -0.0814526 0.0702604 0.7182065), wk = 0.0021786 k( 94) = ( -0.0712711 0.0614778 0.7182065), wk = 0.0021786 k( 95) = ( -0.0610895 0.0526953 0.7182065), wk = 0.0021786 k( 96) = ( -0.0509079 0.0439127 0.7182065), wk = 0.0021786 k( 97) = ( -0.0407263 0.0351302 0.7182065), wk = 0.0021786 k( 98) = ( -0.0305447 0.0263477 0.7182065), wk = 0.0021786 k( 99) = ( -0.0203632 0.0175651 0.7182065), wk = 0.0021786 k( 100) = ( -0.0101816 0.0087826 0.7182065), wk = 0.0021786 k( 101) = ( 0.0000000 0.0000000 0.7182065), wk = 0.0021786 k( 102) = ( 0.0000000 0.0000000 0.7182065), wk = 0.0021786 k( 103) = ( 0.0086207 0.0099939 0.7182065), wk = 0.0021786 k( 104) = ( 0.0172414 0.0199879 0.7182065), wk = 0.0021786 k( 105) = ( 0.0258621 0.0299818 0.7182065), wk = 0.0021786 k( 106) = ( 0.0344828 0.0399757 0.7182065), wk = 0.0021786 k( 107) = ( 0.0431035 0.0499697 0.7182065), wk = 0.0021786 k( 108) = ( 0.0517241 0.0599636 0.7182065), wk = 0.0021786 k( 109) = ( 0.0603448 0.0699575 0.7182065), wk = 0.0021786 k( 110) = ( 0.0689655 0.0799515 0.7182065), wk = 0.0021786 k( 111) = ( 0.0775862 0.0899454 0.7182065), wk = 0.0021786 k( 112) = ( 0.0862069 0.0999394 0.7182065), wk = 0.0021786 k( 113) = ( 0.0948276 0.1099333 0.7182065), wk = 0.0021786 k( 114) = ( 0.1034483 0.1199272 0.7182065), wk = 0.0021786 k( 115) = ( 0.1120690 0.1299212 0.7182065), wk = 0.0021786 k( 116) = ( 0.1206897 0.1399151 0.7182065), wk = 0.0021786 k( 117) = ( 0.1293103 0.1499090 0.7182065), wk = 0.0021786 k( 118) = ( 0.1379310 0.1599030 0.7182065), wk = 0.0021786 k( 119) = ( 0.1465517 0.1698969 0.7182065), wk = 0.0021786 k( 120) = ( 0.1551724 0.1798908 0.7182065), wk = 0.0021786 k( 121) = ( 0.1637931 0.1898848 0.7182065), wk = 0.0021786 k( 122) = ( 0.1724138 0.1998787 0.7182065), wk = 0.0021786 k( 123) = ( 0.1810345 0.2098726 0.7182065), wk = 0.0021786 k( 124) = ( 0.1896552 0.2198666 0.7182065), wk = 0.0021786 k( 125) = ( 0.1982759 0.2298605 0.7182065), wk = 0.0021786 k( 126) = ( 0.2068966 0.2398544 0.7182065), wk = 0.0021786 k( 127) = ( 0.2155172 0.2498484 0.7182065), wk = 0.0021786 k( 128) = ( 0.2241379 0.2598423 0.7182065), wk = 0.0021786 k( 129) = ( 0.2327586 0.2698363 0.7182065), wk = 0.0021786 k( 130) = ( 0.2413793 0.2798302 0.7182065), wk = 0.0021786 k( 131) = ( 0.2500000 0.2898241 0.7182065), wk = 0.0021786 k( 132) = ( 0.2500000 0.2898241 0.7182065), wk = 0.0021786 k( 133) = ( 0.2416667 0.2970124 0.7109447), wk = 0.0021786 k( 134) = ( 0.2333333 0.3042007 0.7036829), wk = 0.0021786 k( 135) = ( 0.2250000 0.3113889 0.6964210), wk = 0.0021786 k( 136) = ( 0.2166667 0.3185772 0.6891592), wk = 0.0021786 k( 137) = ( 0.2083333 0.3257655 0.6818974), wk = 0.0021786 k( 138) = ( 0.2000000 0.3329537 0.6746355), wk = 0.0021786 k( 139) = ( 0.1916667 0.3401420 0.6673737), wk = 0.0021786 k( 140) = ( 0.1833333 0.3473303 0.6601119), wk = 0.0021786 k( 141) = ( 0.1750000 0.3545185 0.6528501), wk = 0.0021786 k( 142) = ( 0.1666667 0.3617068 0.6455882), wk = 0.0021786 k( 143) = ( 0.1583333 0.3688951 0.6383264), wk = 0.0021786 k( 144) = ( 0.1500000 0.3760833 0.6310646), wk = 0.0021786 k( 145) = ( 0.1416667 0.3832716 0.6238027), wk = 0.0021786 k( 146) = ( 0.1333333 0.3904599 0.6165409), wk = 0.0021786 k( 147) = ( 0.1250000 0.3976481 0.6092791), wk = 0.0021786 k( 148) = ( 0.1166667 0.4048364 0.6020172), wk = 0.0021786 k( 149) = ( 0.1083333 0.4120247 0.5947554), wk = 0.0021786 k( 150) = ( 0.1000000 0.4192129 0.5874936), wk = 0.0021786 k( 151) = ( 0.0916667 0.4264012 0.5802317), wk = 0.0021786 k( 152) = ( 0.0833333 0.4335895 0.5729699), wk = 0.0021786 k( 153) = ( 0.0750000 0.4407777 0.5657081), wk = 0.0021786 k( 154) = ( 0.0666667 0.4479660 0.5584462), wk = 0.0021786 k( 155) = ( 0.0583333 0.4551543 0.5511844), wk = 0.0021786 k( 156) = ( 0.0500000 0.4623425 0.5439226), wk = 0.0021786 k( 157) = ( 0.0416667 0.4695308 0.5366607), wk = 0.0021786 k( 158) = ( 0.0333333 0.4767191 0.5293989), wk = 0.0021786 k( 159) = ( 0.0250000 0.4839073 0.5221371), wk = 0.0021786 k( 160) = ( 0.0166667 0.4910956 0.5148753), wk = 0.0021786 k( 161) = ( 0.0083333 0.4982839 0.5076134), wk = 0.0021786 k( 162) = ( 0.0000000 0.5054721 0.5003516), wk = 0.0021786 k( 163) = ( 0.0000000 0.5054721 0.5003516), wk = 0.0021786 k( 164) = ( 0.0103505 0.5114107 0.4943523), wk = 0.0021786 k( 165) = ( 0.0207010 0.5173493 0.4883529), wk = 0.0021786 k( 166) = ( 0.0310515 0.5232878 0.4823536), wk = 0.0021786 k( 167) = ( 0.0414020 0.5292264 0.4763542), wk = 0.0021786 k( 168) = ( 0.0517525 0.5351650 0.4703549), wk = 0.0021786 k( 169) = ( 0.0621030 0.5411035 0.4643555), wk = 0.0021786 k( 170) = ( 0.0724535 0.5470421 0.4583562), wk = 0.0021786 k( 171) = ( 0.0828040 0.5529807 0.4523569), wk = 0.0021786 k( 172) = ( 0.0931545 0.5589192 0.4463575), wk = 0.0021786 k( 173) = ( 0.1035050 0.5648578 0.4403582), wk = 0.0021786 k( 174) = ( 0.1138555 0.5707964 0.4343588), wk = 0.0021786 k( 175) = ( 0.1242060 0.5767349 0.4283595), wk = 0.0021786 k( 176) = ( 0.1345565 0.5826735 0.4223602), wk = 0.0021786 k( 177) = ( 0.1449071 0.5886121 0.4163608), wk = 0.0021786 k( 178) = ( 0.1552575 0.5945506 0.4103615), wk = 0.0021786 k( 179) = ( 0.1656081 0.6004892 0.4043621), wk = 0.0021786 k( 180) = ( 0.1759586 0.6064278 0.3983628), wk = 0.0021786 k( 181) = ( 0.1863091 0.6123663 0.3923635), wk = 0.0021786 k( 182) = ( 0.1966596 0.6183049 0.3863641), wk = 0.0021786 k( 183) = ( 0.2070101 0.6242435 0.3803648), wk = 0.0021786 k( 184) = ( 0.2173606 0.6301820 0.3743654), wk = 0.0021786 k( 185) = ( 0.2277111 0.6361206 0.3683661), wk = 0.0021786 k( 186) = ( 0.2380616 0.6420591 0.3623668), wk = 0.0021786 k( 187) = ( 0.2484121 0.6479977 0.3563674), wk = 0.0021786 k( 188) = ( 0.2587626 0.6539363 0.3503681), wk = 0.0021786 k( 189) = ( 0.2691131 0.6598748 0.3443687), wk = 0.0021786 k( 190) = ( 0.2794636 0.6658134 0.3383694), wk = 0.0021786 k( 191) = ( 0.2898141 0.6717520 0.3323701), wk = 0.0021786 k( 192) = ( 0.3001646 0.6776905 0.3263707), wk = 0.0021786 k( 193) = ( 0.3105151 0.6836291 0.3203714), wk = 0.0021786 k( 194) = ( 0.3208656 0.6895677 0.3143720), wk = 0.0021786 k( 195) = ( 0.3312161 0.6955062 0.3083727), wk = 0.0021786 k( 196) = ( 0.3415666 0.7014448 0.3023734), wk = 0.0021786 k( 197) = ( 0.3519171 0.7073834 0.2963740), wk = 0.0021786 k( 198) = ( 0.3519171 0.7073834 0.2963740), wk = 0.0021786 k( 199) = ( 0.3574017 0.7026524 0.2853972), wk = 0.0021786 k( 200) = ( 0.3628862 0.6979215 0.2744204), wk = 0.0021786 k( 201) = ( 0.3683708 0.6931906 0.2634436), wk = 0.0021786 k( 202) = ( 0.3738553 0.6884596 0.2524668), wk = 0.0021786 k( 203) = ( 0.3793399 0.6837287 0.2414900), wk = 0.0021786 k( 204) = ( 0.3848244 0.6789978 0.2305131), wk = 0.0021786 k( 205) = ( 0.3903090 0.6742669 0.2195363), wk = 0.0021786 k( 206) = ( 0.3957935 0.6695359 0.2085595), wk = 0.0021786 k( 207) = ( 0.4012781 0.6648050 0.1975827), wk = 0.0021786 k( 208) = ( 0.4067626 0.6600741 0.1866059), wk = 0.0021786 k( 209) = ( 0.4122472 0.6553431 0.1756291), wk = 0.0021786 k( 210) = ( 0.4177317 0.6506122 0.1646522), wk = 0.0021786 k( 211) = ( 0.4232163 0.6458813 0.1536754), wk = 0.0021786 k( 212) = ( 0.4287008 0.6411503 0.1426986), wk = 0.0021786 k( 213) = ( 0.4341854 0.6364194 0.1317218), wk = 0.0021786 k( 214) = ( 0.4396699 0.6316885 0.1207450), wk = 0.0021786 k( 215) = ( 0.4451545 0.6269575 0.1097682), wk = 0.0021786 k( 216) = ( 0.4506390 0.6222266 0.0987913), wk = 0.0021786 k( 217) = ( 0.4561236 0.6174957 0.0878145), wk = 0.0021786 k( 218) = ( 0.4616081 0.6127648 0.0768377), wk = 0.0021786 k( 219) = ( 0.4670927 0.6080338 0.0658609), wk = 0.0021786 k( 220) = ( 0.4725772 0.6033029 0.0548841), wk = 0.0021786 k( 221) = ( 0.4780618 0.5985720 0.0439073), wk = 0.0021786 k( 222) = ( 0.4835464 0.5938410 0.0329304), wk = 0.0021786 k( 223) = ( 0.4890309 0.5891101 0.0219536), wk = 0.0021786 k( 224) = ( 0.4945155 0.5843792 0.0109768), wk = 0.0021786 k( 225) = ( 0.5000000 0.5796482 -0.0000000), wk = 0.0021786 k( 226) = ( 0.5000000 0.5796482 -0.0000000), wk = 0.0021786 k( 227) = ( 0.4912281 0.5694790 -0.0000000), wk = 0.0021786 k( 228) = ( 0.4824561 0.5593097 -0.0000000), wk = 0.0021786 k( 229) = ( 0.4736842 0.5491404 -0.0000000), wk = 0.0021786 k( 230) = ( 0.4649123 0.5389712 -0.0000000), wk = 0.0021786 k( 231) = ( 0.4561404 0.5288019 -0.0000000), wk = 0.0021786 k( 232) = ( 0.4473684 0.5186326 -0.0000000), wk = 0.0021786 k( 233) = ( 0.4385965 0.5084634 -0.0000000), wk = 0.0021786 k( 234) = ( 0.4298246 0.4982941 -0.0000000), wk = 0.0021786 k( 235) = ( 0.4210526 0.4881248 -0.0000000), wk = 0.0021786 k( 236) = ( 0.4122807 0.4779556 -0.0000000), wk = 0.0021786 k( 237) = ( 0.4035088 0.4677863 -0.0000000), wk = 0.0021786 k( 238) = ( 0.3947368 0.4576170 -0.0000000), wk = 0.0021786 k( 239) = ( 0.3859649 0.4474478 -0.0000000), wk = 0.0021786 k( 240) = ( 0.3771930 0.4372785 -0.0000000), wk = 0.0021786 k( 241) = ( 0.3684211 0.4271092 -0.0000000), wk = 0.0021786 k( 242) = ( 0.3596491 0.4169400 -0.0000000), wk = 0.0021786 k( 243) = ( 0.3508772 0.4067707 -0.0000000), wk = 0.0021786 k( 244) = ( 0.3421053 0.3966014 -0.0000000), wk = 0.0021786 k( 245) = ( 0.3333333 0.3864322 -0.0000000), wk = 0.0021786 k( 246) = ( 0.3245614 0.3762629 -0.0000000), wk = 0.0021786 k( 247) = ( 0.3157895 0.3660936 -0.0000000), wk = 0.0021786 k( 248) = ( 0.3070175 0.3559244 -0.0000000), wk = 0.0021786 k( 249) = ( 0.2982456 0.3457551 -0.0000000), wk = 0.0021786 k( 250) = ( 0.2894737 0.3355858 -0.0000000), wk = 0.0021786 k( 251) = ( 0.2807018 0.3254166 -0.0000000), wk = 0.0021786 k( 252) = ( 0.2719298 0.3152473 -0.0000000), wk = 0.0021786 k( 253) = ( 0.2631579 0.3050780 -0.0000000), wk = 0.0021786 k( 254) = ( 0.2543860 0.2949088 -0.0000000), wk = 0.0021786 k( 255) = ( 0.2456140 0.2847395 -0.0000000), wk = 0.0021786 k( 256) = ( 0.2368421 0.2745702 -0.0000000), wk = 0.0021786 k( 257) = ( 0.2280702 0.2644010 -0.0000000), wk = 0.0021786 k( 258) = ( 0.2192983 0.2542317 -0.0000000), wk = 0.0021786 k( 259) = ( 0.2105263 0.2440624 -0.0000000), wk = 0.0021786 k( 260) = ( 0.2017544 0.2338932 -0.0000000), wk = 0.0021786 k( 261) = ( 0.1929825 0.2237239 -0.0000000), wk = 0.0021786 k( 262) = ( 0.1842105 0.2135546 -0.0000000), wk = 0.0021786 k( 263) = ( 0.1754386 0.2033854 -0.0000000), wk = 0.0021786 k( 264) = ( 0.1666667 0.1932161 -0.0000000), wk = 0.0021786 k( 265) = ( 0.1578947 0.1830468 -0.0000000), wk = 0.0021786 k( 266) = ( 0.1491228 0.1728776 -0.0000000), wk = 0.0021786 k( 267) = ( 0.1403509 0.1627083 -0.0000000), wk = 0.0021786 k( 268) = ( 0.1315790 0.1525390 -0.0000000), wk = 0.0021786 k( 269) = ( 0.1228070 0.1423697 -0.0000000), wk = 0.0021786 k( 270) = ( 0.1140351 0.1322005 -0.0000000), wk = 0.0021786 k( 271) = ( 0.1052632 0.1220312 -0.0000000), wk = 0.0021786 k( 272) = ( 0.0964912 0.1118619 -0.0000000), wk = 0.0021786 k( 273) = ( 0.0877193 0.1016927 -0.0000000), wk = 0.0021786 k( 274) = ( 0.0789474 0.0915234 -0.0000000), wk = 0.0021786 k( 275) = ( 0.0701754 0.0813541 -0.0000000), wk = 0.0021786 k( 276) = ( 0.0614035 0.0711849 -0.0000000), wk = 0.0021786 k( 277) = ( 0.0526316 0.0610156 -0.0000000), wk = 0.0021786 k( 278) = ( 0.0438597 0.0508463 -0.0000000), wk = 0.0021786 k( 279) = ( 0.0350877 0.0406771 -0.0000000), wk = 0.0021786 k( 280) = ( 0.0263158 0.0305078 -0.0000000), wk = 0.0021786 k( 281) = ( 0.0175439 0.0203385 -0.0000000), wk = 0.0021786 k( 282) = ( 0.0087719 0.0101693 -0.0000000), wk = 0.0021786 k( 283) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021786 k( 284) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021786 k( 285) = ( 0.0084925 -0.0073256 0.0074006), wk = 0.0021786 k( 286) = ( 0.0169851 -0.0146512 0.0148011), wk = 0.0021786 k( 287) = ( 0.0254776 -0.0219768 0.0222017), wk = 0.0021786 k( 288) = ( 0.0339702 -0.0293024 0.0296023), wk = 0.0021786 k( 289) = ( 0.0424627 -0.0366280 0.0370029), wk = 0.0021786 k( 290) = ( 0.0509553 -0.0439536 0.0444034), wk = 0.0021786 k( 291) = ( 0.0594478 -0.0512792 0.0518040), wk = 0.0021786 k( 292) = ( 0.0679403 -0.0586048 0.0592046), wk = 0.0021786 k( 293) = ( 0.0764329 -0.0659304 0.0666051), wk = 0.0021786 k( 294) = ( 0.0849254 -0.0732560 0.0740057), wk = 0.0021786 k( 295) = ( 0.0934180 -0.0805816 0.0814063), wk = 0.0021786 k( 296) = ( 0.1019105 -0.0879072 0.0888068), wk = 0.0021786 k( 297) = ( 0.1104031 -0.0952328 0.0962074), wk = 0.0021786 k( 298) = ( 0.1188956 -0.1025584 0.1036080), wk = 0.0021786 k( 299) = ( 0.1273882 -0.1098840 0.1110086), wk = 0.0021786 k( 300) = ( 0.1358807 -0.1172096 0.1184091), wk = 0.0021786 k( 301) = ( 0.1443732 -0.1245352 0.1258097), wk = 0.0021786 k( 302) = ( 0.1528658 -0.1318608 0.1332103), wk = 0.0021786 k( 303) = ( 0.1613583 -0.1391864 0.1406108), wk = 0.0021786 k( 304) = ( 0.1698509 -0.1465120 0.1480114), wk = 0.0021786 k( 305) = ( 0.1783434 -0.1538376 0.1554120), wk = 0.0021786 k( 306) = ( 0.1868360 -0.1611632 0.1628125), wk = 0.0021786 k( 307) = ( 0.1953285 -0.1684888 0.1702131), wk = 0.0021786 k( 308) = ( 0.2038210 -0.1758144 0.1776137), wk = 0.0021786 k( 309) = ( 0.2123136 -0.1831400 0.1850143), wk = 0.0021786 k( 310) = ( 0.2208061 -0.1904656 0.1924148), wk = 0.0021786 k( 311) = ( 0.2292987 -0.1977912 0.1998154), wk = 0.0021786 k( 312) = ( 0.2377912 -0.2051168 0.2072160), wk = 0.0021786 k( 313) = ( 0.2462838 -0.2124424 0.2146165), wk = 0.0021786 k( 314) = ( 0.2547763 -0.2197680 0.2220171), wk = 0.0021786 k( 315) = ( 0.2632688 -0.2270936 0.2294177), wk = 0.0021786 k( 316) = ( 0.2717614 -0.2344192 0.2368183), wk = 0.0021786 k( 317) = ( 0.2802539 -0.2417448 0.2442188), wk = 0.0021786 k( 318) = ( 0.2887465 -0.2490704 0.2516194), wk = 0.0021786 k( 319) = ( 0.2972390 -0.2563960 0.2590200), wk = 0.0021786 k( 320) = ( 0.3057316 -0.2637216 0.2664205), wk = 0.0021786 k( 321) = ( 0.3142241 -0.2710472 0.2738211), wk = 0.0021786 k( 322) = ( 0.3227166 -0.2783728 0.2812217), wk = 0.0021786 k( 323) = ( 0.3312092 -0.2856984 0.2886222), wk = 0.0021786 k( 324) = ( 0.3397017 -0.2930240 0.2960228), wk = 0.0021786 k( 325) = ( 0.3481943 -0.3003496 0.3034234), wk = 0.0021786 k( 326) = ( 0.3566868 -0.3076752 0.3108240), wk = 0.0021786 k( 327) = ( 0.3651794 -0.3150008 0.3182245), wk = 0.0021786 k( 328) = ( 0.3736719 -0.3223264 0.3256251), wk = 0.0021786 k( 329) = ( 0.3821644 -0.3296520 0.3330257), wk = 0.0021786 k( 330) = ( 0.3906570 -0.3369776 0.3404262), wk = 0.0021786 k( 331) = ( 0.3991495 -0.3443032 0.3478268), wk = 0.0021786 k( 332) = ( 0.4076421 -0.3516288 0.3552274), wk = 0.0021786 k( 333) = ( 0.4161346 -0.3589544 0.3626280), wk = 0.0021786 k( 334) = ( 0.4246272 -0.3662800 0.3700285), wk = 0.0021786 k( 335) = ( 0.4331197 -0.3736056 0.3774291), wk = 0.0021786 k( 336) = ( 0.4416122 -0.3809312 0.3848297), wk = 0.0021786 k( 337) = ( 0.4501048 -0.3882568 0.3922302), wk = 0.0021786 k( 338) = ( 0.4585973 -0.3955824 0.3996308), wk = 0.0021786 k( 339) = ( 0.4670899 -0.4029080 0.4070314), wk = 0.0021786 k( 340) = ( 0.4755824 -0.4102336 0.4144320), wk = 0.0021786 k( 341) = ( 0.4840750 -0.4175592 0.4218325), wk = 0.0021786 k( 342) = ( 0.4840750 -0.4175592 0.4218325), wk = 0.0021786 k( 343) = ( 0.4844731 -0.4052659 0.4167331), wk = 0.0021786 k( 344) = ( 0.4848712 -0.3929725 0.4116336), wk = 0.0021786 k( 345) = ( 0.4852693 -0.3806791 0.4065342), wk = 0.0021786 k( 346) = ( 0.4856675 -0.3683857 0.4014348), wk = 0.0021786 k( 347) = ( 0.4860656 -0.3560923 0.3963353), wk = 0.0021786 k( 348) = ( 0.4864637 -0.3437989 0.3912359), wk = 0.0021786 k( 349) = ( 0.4868618 -0.3315056 0.3861364), wk = 0.0021786 k( 350) = ( 0.4872600 -0.3192122 0.3810370), wk = 0.0021786 k( 351) = ( 0.4876581 -0.3069188 0.3759376), wk = 0.0021786 k( 352) = ( 0.4880562 -0.2946254 0.3708381), wk = 0.0021786 k( 353) = ( 0.4884543 -0.2823320 0.3657387), wk = 0.0021786 k( 354) = ( 0.4888525 -0.2700386 0.3606392), wk = 0.0021786 k( 355) = ( 0.4892506 -0.2577453 0.3555398), wk = 0.0021786 k( 356) = ( 0.4896487 -0.2454519 0.3504404), wk = 0.0021786 k( 357) = ( 0.4900469 -0.2331585 0.3453409), wk = 0.0021786 k( 358) = ( 0.4904450 -0.2208651 0.3402415), wk = 0.0021786 k( 359) = ( 0.4908431 -0.2085717 0.3351421), wk = 0.0021786 k( 360) = ( 0.4912412 -0.1962783 0.3300426), wk = 0.0021786 k( 361) = ( 0.4916394 -0.1839850 0.3249432), wk = 0.0021786 k( 362) = ( 0.4920375 -0.1716916 0.3198437), wk = 0.0021786 k( 363) = ( 0.4924356 -0.1593982 0.3147443), wk = 0.0021786 k( 364) = ( 0.4928337 -0.1471048 0.3096449), wk = 0.0021786 k( 365) = ( 0.4932319 -0.1348114 0.3045454), wk = 0.0021786 k( 366) = ( 0.4936300 -0.1225180 0.2994460), wk = 0.0021786 k( 367) = ( 0.4940281 -0.1102247 0.2943465), wk = 0.0021786 k( 368) = ( 0.4944262 -0.0979313 0.2892471), wk = 0.0021786 k( 369) = ( 0.4948244 -0.0856379 0.2841477), wk = 0.0021786 k( 370) = ( 0.4952225 -0.0733445 0.2790482), wk = 0.0021786 k( 371) = ( 0.4956206 -0.0610511 0.2739488), wk = 0.0021786 k( 372) = ( 0.4960187 -0.0487577 0.2688493), wk = 0.0021786 k( 373) = ( 0.4964169 -0.0364644 0.2637499), wk = 0.0021786 k( 374) = ( 0.4968150 -0.0241710 0.2586505), wk = 0.0021786 k( 375) = ( 0.4972131 -0.0118776 0.2535510), wk = 0.0021786 k( 376) = ( 0.4976113 0.0004158 0.2484516), wk = 0.0021786 k( 377) = ( 0.4980094 0.0127092 0.2433521), wk = 0.0021786 k( 378) = ( 0.4984075 0.0250026 0.2382527), wk = 0.0021786 k( 379) = ( 0.4988056 0.0372959 0.2331533), wk = 0.0021786 k( 380) = ( 0.4992038 0.0495893 0.2280538), wk = 0.0021786 k( 381) = ( 0.4996019 0.0618827 0.2229544), wk = 0.0021786 k( 382) = ( 0.5000000 0.0741761 0.2178550), wk = 0.0021786 k( 383) = ( 0.5000000 0.0741761 0.2178550), wk = 0.0021786 k( 384) = ( 0.4944444 0.0789683 0.2289739), wk = 0.0021786 k( 385) = ( 0.4888889 0.0837605 0.2400928), wk = 0.0021786 k( 386) = ( 0.4833333 0.0885526 0.2512117), wk = 0.0021786 k( 387) = ( 0.4777778 0.0933448 0.2623306), wk = 0.0021786 k( 388) = ( 0.4722222 0.0981370 0.2734496), wk = 0.0021786 k( 389) = ( 0.4666667 0.1029292 0.2845685), wk = 0.0021786 k( 390) = ( 0.4611111 0.1077213 0.2956874), wk = 0.0021786 k( 391) = ( 0.4555556 0.1125135 0.3068063), wk = 0.0021786 k( 392) = ( 0.4500000 0.1173057 0.3179253), wk = 0.0021786 k( 393) = ( 0.4444444 0.1220979 0.3290442), wk = 0.0021786 k( 394) = ( 0.4388889 0.1268901 0.3401631), wk = 0.0021786 k( 395) = ( 0.4333333 0.1316822 0.3512820), wk = 0.0021786 k( 396) = ( 0.4277778 0.1364744 0.3624010), wk = 0.0021786 k( 397) = ( 0.4222222 0.1412666 0.3735199), wk = 0.0021786 k( 398) = ( 0.4166667 0.1460588 0.3846388), wk = 0.0021786 k( 399) = ( 0.4111111 0.1508510 0.3957577), wk = 0.0021786 k( 400) = ( 0.4055556 0.1556431 0.4068767), wk = 0.0021786 k( 401) = ( 0.4000000 0.1604353 0.4179956), wk = 0.0021786 k( 402) = ( 0.3944444 0.1652275 0.4291145), wk = 0.0021786 k( 403) = ( 0.3888889 0.1700197 0.4402334), wk = 0.0021786 k( 404) = ( 0.3833333 0.1748118 0.4513524), wk = 0.0021786 k( 405) = ( 0.3777778 0.1796040 0.4624713), wk = 0.0021786 k( 406) = ( 0.3722222 0.1843962 0.4735902), wk = 0.0021786 k( 407) = ( 0.3666667 0.1891884 0.4847091), wk = 0.0021786 k( 408) = ( 0.3611111 0.1939806 0.4958281), wk = 0.0021786 k( 409) = ( 0.3555556 0.1987727 0.5069470), wk = 0.0021786 k( 410) = ( 0.3500000 0.2035649 0.5180659), wk = 0.0021786 k( 411) = ( 0.3444444 0.2083571 0.5291848), wk = 0.0021786 k( 412) = ( 0.3388889 0.2131493 0.5403038), wk = 0.0021786 k( 413) = ( 0.3333333 0.2179414 0.5514227), wk = 0.0021786 k( 414) = ( 0.3277778 0.2227336 0.5625416), wk = 0.0021786 k( 415) = ( 0.3222222 0.2275258 0.5736605), wk = 0.0021786 k( 416) = ( 0.3166667 0.2323180 0.5847794), wk = 0.0021786 k( 417) = ( 0.3111111 0.2371102 0.5958984), wk = 0.0021786 k( 418) = ( 0.3055556 0.2419023 0.6070173), wk = 0.0021786 k( 419) = ( 0.3000000 0.2466945 0.6181362), wk = 0.0021786 k( 420) = ( 0.2944444 0.2514867 0.6292552), wk = 0.0021786 k( 421) = ( 0.2888889 0.2562789 0.6403741), wk = 0.0021786 k( 422) = ( 0.2833333 0.2610711 0.6514930), wk = 0.0021786 k( 423) = ( 0.2777778 0.2658632 0.6626119), wk = 0.0021786 k( 424) = ( 0.2722222 0.2706554 0.6737308), wk = 0.0021786 k( 425) = ( 0.2666667 0.2754476 0.6848498), wk = 0.0021786 k( 426) = ( 0.2611111 0.2802398 0.6959687), wk = 0.0021786 k( 427) = ( 0.2555556 0.2850319 0.7070876), wk = 0.0021786 k( 428) = ( 0.2500000 0.2898241 0.7182065), wk = 0.0021786 k( 429) = ( 0.3359921 -0.2898241 0.7182065), wk = 0.0021786 k( 430) = ( 0.3414766 -0.2945551 0.7072297), wk = 0.0021786 k( 431) = ( 0.3469612 -0.2992860 0.6962529), wk = 0.0021786 k( 432) = ( 0.3524457 -0.3040169 0.6852761), wk = 0.0021786 k( 433) = ( 0.3579303 -0.3087478 0.6742993), wk = 0.0021786 k( 434) = ( 0.3634148 -0.3134788 0.6633225), wk = 0.0021786 k( 435) = ( 0.3688994 -0.3182097 0.6523457), wk = 0.0021786 k( 436) = ( 0.3743840 -0.3229406 0.6413688), wk = 0.0021786 k( 437) = ( 0.3798685 -0.3276716 0.6303920), wk = 0.0021786 k( 438) = ( 0.3853530 -0.3324025 0.6194152), wk = 0.0021786 k( 439) = ( 0.3908376 -0.3371334 0.6084384), wk = 0.0021786 k( 440) = ( 0.3963221 -0.3418644 0.5974616), wk = 0.0021786 k( 441) = ( 0.4018067 -0.3465953 0.5864848), wk = 0.0021786 k( 442) = ( 0.4072912 -0.3513262 0.5755079), wk = 0.0021786 k( 443) = ( 0.4127758 -0.3560571 0.5645311), wk = 0.0021786 k( 444) = ( 0.4182604 -0.3607881 0.5535543), wk = 0.0021786 k( 445) = ( 0.4237449 -0.3655190 0.5425775), wk = 0.0021786 k( 446) = ( 0.4292295 -0.3702499 0.5316007), wk = 0.0021786 k( 447) = ( 0.4347140 -0.3749809 0.5206239), wk = 0.0021786 k( 448) = ( 0.4401986 -0.3797118 0.5096470), wk = 0.0021786 k( 449) = ( 0.4456831 -0.3844427 0.4986702), wk = 0.0021786 k( 450) = ( 0.4511677 -0.3891737 0.4876934), wk = 0.0021786 k( 451) = ( 0.4566522 -0.3939046 0.4767166), wk = 0.0021786 k( 452) = ( 0.4621368 -0.3986355 0.4657398), wk = 0.0021786 k( 453) = ( 0.4676213 -0.4033665 0.4547630), wk = 0.0021786 k( 454) = ( 0.4731059 -0.4080974 0.4437861), wk = 0.0021786 k( 455) = ( 0.4785904 -0.4128283 0.4328093), wk = 0.0021786 k( 456) = ( 0.4840750 -0.4175592 0.4218325), wk = 0.0021786 k( 457) = ( 0.5159250 0.5659114 0.0138774), wk = 0.0021786 k( 458) = ( 0.5079625 0.5727798 0.0069387), wk = 0.0021786 k( 459) = ( 0.5000000 0.5796482 -0.0000000), wk = 0.0021786 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021786 k( 2) = ( -0.0055860 0.0055860 0.0055860), wk = 0.0021786 k( 3) = ( -0.0111720 0.0111720 0.0111720), wk = 0.0021786 k( 4) = ( -0.0167580 0.0167580 0.0167580), wk = 0.0021786 k( 5) = ( -0.0223439 0.0223439 0.0223439), wk = 0.0021786 k( 6) = ( -0.0279299 0.0279299 0.0279299), wk = 0.0021786 k( 7) = ( -0.0335159 0.0335159 0.0335159), wk = 0.0021786 k( 8) = ( -0.0391019 0.0391019 0.0391019), wk = 0.0021786 k( 9) = ( -0.0446879 0.0446879 0.0446879), wk = 0.0021786 k( 10) = ( -0.0502739 0.0502739 0.0502739), wk = 0.0021786 k( 11) = ( -0.0558599 0.0558599 0.0558599), wk = 0.0021786 k( 12) = ( -0.0614459 0.0614459 0.0614459), wk = 0.0021786 k( 13) = ( -0.0670318 0.0670318 0.0670318), wk = 0.0021786 k( 14) = ( -0.0726178 0.0726178 0.0726178), wk = 0.0021786 k( 15) = ( -0.0782038 0.0782038 0.0782038), wk = 0.0021786 k( 16) = ( -0.0837898 0.0837898 0.0837898), wk = 0.0021786 k( 17) = ( -0.0893758 0.0893758 0.0893758), wk = 0.0021786 k( 18) = ( -0.0949618 0.0949618 0.0949618), wk = 0.0021786 k( 19) = ( -0.1005478 0.1005478 0.1005478), wk = 0.0021786 k( 20) = ( -0.1061337 0.1061337 0.1061337), wk = 0.0021786 k( 21) = ( -0.1117197 0.1117197 0.1117197), wk = 0.0021786 k( 22) = ( -0.1173057 0.1173057 0.1173057), wk = 0.0021786 k( 23) = ( -0.1228917 0.1228917 0.1228917), wk = 0.0021786 k( 24) = ( -0.1284777 0.1284777 0.1284777), wk = 0.0021786 k( 25) = ( -0.1340637 0.1340637 0.1340637), wk = 0.0021786 k( 26) = ( -0.1396496 0.1396497 0.1396496), wk = 0.0021786 k( 27) = ( -0.1452356 0.1452356 0.1452356), wk = 0.0021786 k( 28) = ( -0.1508216 0.1508216 0.1508216), wk = 0.0021786 k( 29) = ( -0.1564076 0.1564076 0.1564076), wk = 0.0021786 k( 30) = ( -0.1619936 0.1619936 0.1619936), wk = 0.0021786 k( 31) = ( -0.1675796 0.1675796 0.1675796), wk = 0.0021786 k( 32) = ( -0.1731656 0.1731656 0.1731656), wk = 0.0021786 k( 33) = ( -0.1787516 0.1787516 0.1787516), wk = 0.0021786 k( 34) = ( -0.1843375 0.1843375 0.1843375), wk = 0.0021786 k( 35) = ( -0.1899235 0.1899235 0.1899235), wk = 0.0021786 k( 36) = ( -0.1955095 0.1955095 0.1955095), wk = 0.0021786 k( 37) = ( -0.2010955 0.2010955 0.2010955), wk = 0.0021786 k( 38) = ( -0.2066815 0.2066815 0.2066815), wk = 0.0021786 k( 39) = ( -0.2122675 0.2122675 0.2122675), wk = 0.0021786 k( 40) = ( -0.2178535 0.2178535 0.2178535), wk = 0.0021786 k( 41) = ( -0.2234394 0.2234394 0.2234394), wk = 0.0021786 k( 42) = ( -0.2290254 0.2290254 0.2290254), wk = 0.0021786 k( 43) = ( -0.2346114 0.2346114 0.2346114), wk = 0.0021786 k( 44) = ( -0.2401974 0.2401974 0.2401974), wk = 0.0021786 k( 45) = ( -0.2457834 0.2457834 0.2457834), wk = 0.0021786 k( 46) = ( -0.2513694 0.2513694 0.2513694), wk = 0.0021786 k( 47) = ( -0.2569554 0.2569554 0.2569554), wk = 0.0021786 k( 48) = ( -0.2625413 0.2625413 0.2625413), wk = 0.0021786 k( 49) = ( -0.2681273 0.2681273 0.2681273), wk = 0.0021786 k( 50) = ( -0.2737133 0.2737133 0.2737133), wk = 0.0021786 k( 51) = ( -0.2792993 0.2792993 0.2792993), wk = 0.0021786 k( 52) = ( -0.2848853 0.2848853 0.2848853), wk = 0.0021786 k( 53) = ( -0.2904713 0.2904713 0.2904713), wk = 0.0021786 k( 54) = ( -0.2960573 0.2960573 0.2960573), wk = 0.0021786 k( 55) = ( -0.3016432 0.3016432 0.3016432), wk = 0.0021786 k( 56) = ( -0.3072292 0.3072292 0.3072292), wk = 0.0021786 k( 57) = ( -0.3128152 0.3128152 0.3128152), wk = 0.0021786 k( 58) = ( -0.3184012 0.3184012 0.3184012), wk = 0.0021786 k( 59) = ( -0.3239872 0.3239872 0.3239872), wk = 0.0021786 k( 60) = ( -0.3295732 0.3295732 0.3295732), wk = 0.0021786 k( 61) = ( -0.3351592 0.3351592 0.3351592), wk = 0.0021786 k( 62) = ( -0.3407451 0.3407452 0.3407451), wk = 0.0021786 k( 63) = ( -0.3463311 0.3463311 0.3463311), wk = 0.0021786 k( 64) = ( -0.3519171 0.3519171 0.3519171), wk = 0.0021786 k( 65) = ( -0.3519171 0.3519171 0.3519171), wk = 0.0021786 k( 66) = ( -0.3439546 0.3439546 0.3598796), wk = 0.0021786 k( 67) = ( -0.3359921 0.3359921 0.3678421), wk = 0.0021786 k( 68) = ( -0.3359921 0.3359921 0.3678421), wk = 0.0021786 k( 69) = ( -0.3258105 0.3258105 0.3718469), wk = 0.0021786 k( 70) = ( -0.3156289 0.3156289 0.3758517), wk = 0.0021786 k( 71) = ( -0.3054474 0.3054474 0.3798565), wk = 0.0021786 k( 72) = ( -0.2952658 0.2952658 0.3838613), wk = 0.0021786 k( 73) = ( -0.2850842 0.2850842 0.3878661), wk = 0.0021786 k( 74) = ( -0.2749026 0.2749026 0.3918708), wk = 0.0021786 k( 75) = ( -0.2647210 0.2647210 0.3958756), wk = 0.0021786 k( 76) = ( -0.2545395 0.2545395 0.3998804), wk = 0.0021786 k( 77) = ( -0.2443579 0.2443579 0.4038852), wk = 0.0021786 k( 78) = ( -0.2341763 0.2341763 0.4078900), wk = 0.0021786 k( 79) = ( -0.2239947 0.2239947 0.4118948), wk = 0.0021786 k( 80) = ( -0.2138132 0.2138132 0.4158995), wk = 0.0021786 k( 81) = ( -0.2036316 0.2036316 0.4199043), wk = 0.0021786 k( 82) = ( -0.1934500 0.1934500 0.4239091), wk = 0.0021786 k( 83) = ( -0.1832684 0.1832684 0.4279139), wk = 0.0021786 k( 84) = ( -0.1730868 0.1730868 0.4319187), wk = 0.0021786 k( 85) = ( -0.1629053 0.1629053 0.4359235), wk = 0.0021786 k( 86) = ( -0.1527237 0.1527237 0.4399283), wk = 0.0021786 k( 87) = ( -0.1425421 0.1425421 0.4439330), wk = 0.0021786 k( 88) = ( -0.1323605 0.1323605 0.4479378), wk = 0.0021786 k( 89) = ( -0.1221789 0.1221789 0.4519426), wk = 0.0021786 k( 90) = ( -0.1119974 0.1119974 0.4559474), wk = 0.0021786 k( 91) = ( -0.1018158 0.1018158 0.4599522), wk = 0.0021786 k( 92) = ( -0.0916342 0.0916342 0.4639569), wk = 0.0021786 k( 93) = ( -0.0814526 0.0814526 0.4679617), wk = 0.0021786 k( 94) = ( -0.0712711 0.0712711 0.4719665), wk = 0.0021786 k( 95) = ( -0.0610895 0.0610895 0.4759713), wk = 0.0021786 k( 96) = ( -0.0509079 0.0509079 0.4799761), wk = 0.0021786 k( 97) = ( -0.0407263 0.0407263 0.4839809), wk = 0.0021786 k( 98) = ( -0.0305447 0.0305447 0.4879857), wk = 0.0021786 k( 99) = ( -0.0203632 0.0203632 0.4919904), wk = 0.0021786 k( 100) = ( -0.0101816 0.0101816 0.4959952), wk = 0.0021786 k( 101) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021786 k( 102) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021786 k( 103) = ( 0.0086207 0.0086207 0.4913793), wk = 0.0021786 k( 104) = ( 0.0172414 0.0172414 0.4827586), wk = 0.0021786 k( 105) = ( 0.0258621 0.0258621 0.4741379), wk = 0.0021786 k( 106) = ( 0.0344828 0.0344828 0.4655172), wk = 0.0021786 k( 107) = ( 0.0431035 0.0431035 0.4568966), wk = 0.0021786 k( 108) = ( 0.0517241 0.0517241 0.4482759), wk = 0.0021786 k( 109) = ( 0.0603448 0.0603448 0.4396552), wk = 0.0021786 k( 110) = ( 0.0689655 0.0689655 0.4310345), wk = 0.0021786 k( 111) = ( 0.0775862 0.0775862 0.4224138), wk = 0.0021786 k( 112) = ( 0.0862069 0.0862069 0.4137931), wk = 0.0021786 k( 113) = ( 0.0948276 0.0948276 0.4051724), wk = 0.0021786 k( 114) = ( 0.1034483 0.1034483 0.3965517), wk = 0.0021786 k( 115) = ( 0.1120690 0.1120690 0.3879310), wk = 0.0021786 k( 116) = ( 0.1206897 0.1206897 0.3793103), wk = 0.0021786 k( 117) = ( 0.1293103 0.1293103 0.3706897), wk = 0.0021786 k( 118) = ( 0.1379310 0.1379310 0.3620690), wk = 0.0021786 k( 119) = ( 0.1465517 0.1465517 0.3534483), wk = 0.0021786 k( 120) = ( 0.1551724 0.1551724 0.3448276), wk = 0.0021786 k( 121) = ( 0.1637931 0.1637931 0.3362069), wk = 0.0021786 k( 122) = ( 0.1724138 0.1724138 0.3275862), wk = 0.0021786 k( 123) = ( 0.1810345 0.1810345 0.3189655), wk = 0.0021786 k( 124) = ( 0.1896552 0.1896552 0.3103448), wk = 0.0021786 k( 125) = ( 0.1982759 0.1982759 0.3017241), wk = 0.0021786 k( 126) = ( 0.2068966 0.2068966 0.2931034), wk = 0.0021786 k( 127) = ( 0.2155172 0.2155172 0.2844828), wk = 0.0021786 k( 128) = ( 0.2241379 0.2241379 0.2758621), wk = 0.0021786 k( 129) = ( 0.2327586 0.2327586 0.2672414), wk = 0.0021786 k( 130) = ( 0.2413793 0.2413793 0.2586207), wk = 0.0021786 k( 131) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0021786 k( 132) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0021786 k( 133) = ( 0.2416667 0.2583333 0.2416667), wk = 0.0021786 k( 134) = ( 0.2333333 0.2666667 0.2333333), wk = 0.0021786 k( 135) = ( 0.2250000 0.2750000 0.2250000), wk = 0.0021786 k( 136) = ( 0.2166667 0.2833333 0.2166667), wk = 0.0021786 k( 137) = ( 0.2083333 0.2916667 0.2083333), wk = 0.0021786 k( 138) = ( 0.2000000 0.3000000 0.2000000), wk = 0.0021786 k( 139) = ( 0.1916667 0.3083333 0.1916667), wk = 0.0021786 k( 140) = ( 0.1833333 0.3166667 0.1833333), wk = 0.0021786 k( 141) = ( 0.1750000 0.3250000 0.1750000), wk = 0.0021786 k( 142) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0021786 k( 143) = ( 0.1583333 0.3416667 0.1583333), wk = 0.0021786 k( 144) = ( 0.1500000 0.3500000 0.1500000), wk = 0.0021786 k( 145) = ( 0.1416667 0.3583333 0.1416667), wk = 0.0021786 k( 146) = ( 0.1333333 0.3666667 0.1333333), wk = 0.0021786 k( 147) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0021786 k( 148) = ( 0.1166667 0.3833333 0.1166667), wk = 0.0021786 k( 149) = ( 0.1083333 0.3916667 0.1083333), wk = 0.0021786 k( 150) = ( 0.1000000 0.4000000 0.1000000), wk = 0.0021786 k( 151) = ( 0.0916667 0.4083333 0.0916667), wk = 0.0021786 k( 152) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0021786 k( 153) = ( 0.0750000 0.4250000 0.0750000), wk = 0.0021786 k( 154) = ( 0.0666667 0.4333333 0.0666667), wk = 0.0021786 k( 155) = ( 0.0583333 0.4416667 0.0583333), wk = 0.0021786 k( 156) = ( 0.0500000 0.4500000 0.0500000), wk = 0.0021786 k( 157) = ( 0.0416667 0.4583333 0.0416667), wk = 0.0021786 k( 158) = ( 0.0333333 0.4666667 0.0333333), wk = 0.0021786 k( 159) = ( 0.0250000 0.4750000 0.0250000), wk = 0.0021786 k( 160) = ( 0.0166667 0.4833333 0.0166667), wk = 0.0021786 k( 161) = ( 0.0083333 0.4916667 0.0083333), wk = 0.0021786 k( 162) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0021786 k( 163) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0021786 k( 164) = ( 0.0103505 0.5043554 -0.0103505), wk = 0.0021786 k( 165) = ( 0.0207010 0.5087108 -0.0207010), wk = 0.0021786 k( 166) = ( 0.0310515 0.5130661 -0.0310515), wk = 0.0021786 k( 167) = ( 0.0414020 0.5174215 -0.0414020), wk = 0.0021786 k( 168) = ( 0.0517525 0.5217769 -0.0517525), wk = 0.0021786 k( 169) = ( 0.0621030 0.5261323 -0.0621030), wk = 0.0021786 k( 170) = ( 0.0724535 0.5304877 -0.0724535), wk = 0.0021786 k( 171) = ( 0.0828040 0.5348430 -0.0828040), wk = 0.0021786 k( 172) = ( 0.0931545 0.5391984 -0.0931545), wk = 0.0021786 k( 173) = ( 0.1035050 0.5435538 -0.1035050), wk = 0.0021786 k( 174) = ( 0.1138555 0.5479092 -0.1138555), wk = 0.0021786 k( 175) = ( 0.1242060 0.5522645 -0.1242060), wk = 0.0021786 k( 176) = ( 0.1345565 0.5566199 -0.1345565), wk = 0.0021786 k( 177) = ( 0.1449071 0.5609753 -0.1449071), wk = 0.0021786 k( 178) = ( 0.1552575 0.5653307 -0.1552576), wk = 0.0021786 k( 179) = ( 0.1656081 0.5696861 -0.1656081), wk = 0.0021786 k( 180) = ( 0.1759586 0.5740414 -0.1759586), wk = 0.0021786 k( 181) = ( 0.1863091 0.5783968 -0.1863091), wk = 0.0021786 k( 182) = ( 0.1966596 0.5827522 -0.1966596), wk = 0.0021786 k( 183) = ( 0.2070101 0.5871076 -0.2070101), wk = 0.0021786 k( 184) = ( 0.2173606 0.5914630 -0.2173606), wk = 0.0021786 k( 185) = ( 0.2277111 0.5958183 -0.2277111), wk = 0.0021786 k( 186) = ( 0.2380616 0.6001737 -0.2380616), wk = 0.0021786 k( 187) = ( 0.2484121 0.6045291 -0.2484121), wk = 0.0021786 k( 188) = ( 0.2587626 0.6088845 -0.2587626), wk = 0.0021786 k( 189) = ( 0.2691131 0.6132399 -0.2691131), wk = 0.0021786 k( 190) = ( 0.2794636 0.6175952 -0.2794636), wk = 0.0021786 k( 191) = ( 0.2898141 0.6219506 -0.2898141), wk = 0.0021786 k( 192) = ( 0.3001646 0.6263060 -0.3001646), wk = 0.0021786 k( 193) = ( 0.3105151 0.6306614 -0.3105151), wk = 0.0021786 k( 194) = ( 0.3208656 0.6350168 -0.3208656), wk = 0.0021786 k( 195) = ( 0.3312161 0.6393721 -0.3312161), wk = 0.0021786 k( 196) = ( 0.3415666 0.6437275 -0.3415666), wk = 0.0021786 k( 197) = ( 0.3519171 0.6480829 -0.3519171), wk = 0.0021786 k( 198) = ( 0.3519171 0.6480829 -0.3519171), wk = 0.0021786 k( 199) = ( 0.3574017 0.6425983 -0.3574017), wk = 0.0021786 k( 200) = ( 0.3628862 0.6371138 -0.3628862), wk = 0.0021786 k( 201) = ( 0.3683708 0.6316292 -0.3683708), wk = 0.0021786 k( 202) = ( 0.3738553 0.6261447 -0.3738553), wk = 0.0021786 k( 203) = ( 0.3793399 0.6206601 -0.3793399), wk = 0.0021786 k( 204) = ( 0.3848244 0.6151756 -0.3848244), wk = 0.0021786 k( 205) = ( 0.3903090 0.6096910 -0.3903090), wk = 0.0021786 k( 206) = ( 0.3957935 0.6042065 -0.3957935), wk = 0.0021786 k( 207) = ( 0.4012781 0.5987219 -0.4012781), wk = 0.0021786 k( 208) = ( 0.4067626 0.5932374 -0.4067626), wk = 0.0021786 k( 209) = ( 0.4122472 0.5877528 -0.4122472), wk = 0.0021786 k( 210) = ( 0.4177317 0.5822683 -0.4177317), wk = 0.0021786 k( 211) = ( 0.4232163 0.5767837 -0.4232163), wk = 0.0021786 k( 212) = ( 0.4287008 0.5712992 -0.4287008), wk = 0.0021786 k( 213) = ( 0.4341854 0.5658146 -0.4341854), wk = 0.0021786 k( 214) = ( 0.4396699 0.5603301 -0.4396699), wk = 0.0021786 k( 215) = ( 0.4451545 0.5548455 -0.4451545), wk = 0.0021786 k( 216) = ( 0.4506390 0.5493610 -0.4506390), wk = 0.0021786 k( 217) = ( 0.4561236 0.5438764 -0.4561236), wk = 0.0021786 k( 218) = ( 0.4616081 0.5383919 -0.4616081), wk = 0.0021786 k( 219) = ( 0.4670927 0.5329073 -0.4670927), wk = 0.0021786 k( 220) = ( 0.4725772 0.5274228 -0.4725772), wk = 0.0021786 k( 221) = ( 0.4780618 0.5219382 -0.4780618), wk = 0.0021786 k( 222) = ( 0.4835464 0.5164536 -0.4835464), wk = 0.0021786 k( 223) = ( 0.4890309 0.5109691 -0.4890309), wk = 0.0021786 k( 224) = ( 0.4945155 0.5054846 -0.4945155), wk = 0.0021786 k( 225) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0021786 k( 226) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0021786 k( 227) = ( 0.4912281 0.4912281 -0.4912281), wk = 0.0021786 k( 228) = ( 0.4824561 0.4824561 -0.4824561), wk = 0.0021786 k( 229) = ( 0.4736842 0.4736842 -0.4736842), wk = 0.0021786 k( 230) = ( 0.4649123 0.4649123 -0.4649123), wk = 0.0021786 k( 231) = ( 0.4561404 0.4561404 -0.4561404), wk = 0.0021786 k( 232) = ( 0.4473684 0.4473684 -0.4473684), wk = 0.0021786 k( 233) = ( 0.4385965 0.4385965 -0.4385965), wk = 0.0021786 k( 234) = ( 0.4298246 0.4298246 -0.4298246), wk = 0.0021786 k( 235) = ( 0.4210526 0.4210526 -0.4210526), wk = 0.0021786 k( 236) = ( 0.4122807 0.4122807 -0.4122807), wk = 0.0021786 k( 237) = ( 0.4035088 0.4035088 -0.4035088), wk = 0.0021786 k( 238) = ( 0.3947368 0.3947368 -0.3947368), wk = 0.0021786 k( 239) = ( 0.3859649 0.3859649 -0.3859649), wk = 0.0021786 k( 240) = ( 0.3771930 0.3771930 -0.3771930), wk = 0.0021786 k( 241) = ( 0.3684211 0.3684211 -0.3684211), wk = 0.0021786 k( 242) = ( 0.3596491 0.3596491 -0.3596491), wk = 0.0021786 k( 243) = ( 0.3508772 0.3508772 -0.3508772), wk = 0.0021786 k( 244) = ( 0.3421053 0.3421053 -0.3421053), wk = 0.0021786 k( 245) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0021786 k( 246) = ( 0.3245614 0.3245614 -0.3245614), wk = 0.0021786 k( 247) = ( 0.3157895 0.3157895 -0.3157895), wk = 0.0021786 k( 248) = ( 0.3070175 0.3070175 -0.3070175), wk = 0.0021786 k( 249) = ( 0.2982456 0.2982456 -0.2982456), wk = 0.0021786 k( 250) = ( 0.2894737 0.2894737 -0.2894737), wk = 0.0021786 k( 251) = ( 0.2807018 0.2807018 -0.2807018), wk = 0.0021786 k( 252) = ( 0.2719298 0.2719298 -0.2719298), wk = 0.0021786 k( 253) = ( 0.2631579 0.2631579 -0.2631579), wk = 0.0021786 k( 254) = ( 0.2543860 0.2543860 -0.2543860), wk = 0.0021786 k( 255) = ( 0.2456140 0.2456140 -0.2456140), wk = 0.0021786 k( 256) = ( 0.2368421 0.2368421 -0.2368421), wk = 0.0021786 k( 257) = ( 0.2280702 0.2280702 -0.2280702), wk = 0.0021786 k( 258) = ( 0.2192983 0.2192983 -0.2192983), wk = 0.0021786 k( 259) = ( 0.2105263 0.2105263 -0.2105263), wk = 0.0021786 k( 260) = ( 0.2017544 0.2017544 -0.2017544), wk = 0.0021786 k( 261) = ( 0.1929825 0.1929825 -0.1929825), wk = 0.0021786 k( 262) = ( 0.1842105 0.1842105 -0.1842105), wk = 0.0021786 k( 263) = ( 0.1754386 0.1754386 -0.1754386), wk = 0.0021786 k( 264) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0021786 k( 265) = ( 0.1578947 0.1578947 -0.1578947), wk = 0.0021786 k( 266) = ( 0.1491228 0.1491228 -0.1491228), wk = 0.0021786 k( 267) = ( 0.1403509 0.1403509 -0.1403509), wk = 0.0021786 k( 268) = ( 0.1315790 0.1315790 -0.1315790), wk = 0.0021786 k( 269) = ( 0.1228070 0.1228070 -0.1228070), wk = 0.0021786 k( 270) = ( 0.1140351 0.1140351 -0.1140351), wk = 0.0021786 k( 271) = ( 0.1052632 0.1052632 -0.1052632), wk = 0.0021786 k( 272) = ( 0.0964912 0.0964912 -0.0964912), wk = 0.0021786 k( 273) = ( 0.0877193 0.0877193 -0.0877193), wk = 0.0021786 k( 274) = ( 0.0789474 0.0789474 -0.0789474), wk = 0.0021786 k( 275) = ( 0.0701754 0.0701754 -0.0701754), wk = 0.0021786 k( 276) = ( 0.0614035 0.0614035 -0.0614035), wk = 0.0021786 k( 277) = ( 0.0526316 0.0526316 -0.0526316), wk = 0.0021786 k( 278) = ( 0.0438597 0.0438597 -0.0438597), wk = 0.0021786 k( 279) = ( 0.0350877 0.0350877 -0.0350877), wk = 0.0021786 k( 280) = ( 0.0263158 0.0263158 -0.0263158), wk = 0.0021786 k( 281) = ( 0.0175439 0.0175439 -0.0175439), wk = 0.0021786 k( 282) = ( 0.0087719 0.0087719 -0.0087719), wk = 0.0021786 k( 283) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021786 k( 284) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021786 k( 285) = ( 0.0084925 -0.0084925 0.0084925), wk = 0.0021786 k( 286) = ( 0.0169851 -0.0169851 0.0169851), wk = 0.0021786 k( 287) = ( 0.0254776 -0.0254776 0.0254776), wk = 0.0021786 k( 288) = ( 0.0339702 -0.0339702 0.0339702), wk = 0.0021786 k( 289) = ( 0.0424627 -0.0424627 0.0424627), wk = 0.0021786 k( 290) = ( 0.0509553 -0.0509553 0.0509553), wk = 0.0021786 k( 291) = ( 0.0594478 -0.0594478 0.0594478), wk = 0.0021786 k( 292) = ( 0.0679403 -0.0679404 0.0679403), wk = 0.0021786 k( 293) = ( 0.0764329 -0.0764329 0.0764329), wk = 0.0021786 k( 294) = ( 0.0849254 -0.0849254 0.0849254), wk = 0.0021786 k( 295) = ( 0.0934180 -0.0934180 0.0934180), wk = 0.0021786 k( 296) = ( 0.1019105 -0.1019105 0.1019105), wk = 0.0021786 k( 297) = ( 0.1104031 -0.1104031 0.1104031), wk = 0.0021786 k( 298) = ( 0.1188956 -0.1188956 0.1188956), wk = 0.0021786 k( 299) = ( 0.1273882 -0.1273882 0.1273882), wk = 0.0021786 k( 300) = ( 0.1358807 -0.1358807 0.1358807), wk = 0.0021786 k( 301) = ( 0.1443732 -0.1443732 0.1443732), wk = 0.0021786 k( 302) = ( 0.1528658 -0.1528658 0.1528658), wk = 0.0021786 k( 303) = ( 0.1613583 -0.1613583 0.1613583), wk = 0.0021786 k( 304) = ( 0.1698509 -0.1698509 0.1698509), wk = 0.0021786 k( 305) = ( 0.1783434 -0.1783434 0.1783434), wk = 0.0021786 k( 306) = ( 0.1868360 -0.1868360 0.1868360), wk = 0.0021786 k( 307) = ( 0.1953285 -0.1953285 0.1953285), wk = 0.0021786 k( 308) = ( 0.2038210 -0.2038210 0.2038210), wk = 0.0021786 k( 309) = ( 0.2123136 -0.2123136 0.2123136), wk = 0.0021786 k( 310) = ( 0.2208061 -0.2208061 0.2208061), wk = 0.0021786 k( 311) = ( 0.2292987 -0.2292987 0.2292987), wk = 0.0021786 k( 312) = ( 0.2377912 -0.2377912 0.2377912), wk = 0.0021786 k( 313) = ( 0.2462838 -0.2462838 0.2462838), wk = 0.0021786 k( 314) = ( 0.2547763 -0.2547763 0.2547763), wk = 0.0021786 k( 315) = ( 0.2632688 -0.2632688 0.2632688), wk = 0.0021786 k( 316) = ( 0.2717614 -0.2717614 0.2717614), wk = 0.0021786 k( 317) = ( 0.2802539 -0.2802539 0.2802539), wk = 0.0021786 k( 318) = ( 0.2887465 -0.2887465 0.2887465), wk = 0.0021786 k( 319) = ( 0.2972390 -0.2972390 0.2972390), wk = 0.0021786 k( 320) = ( 0.3057316 -0.3057316 0.3057316), wk = 0.0021786 k( 321) = ( 0.3142241 -0.3142241 0.3142241), wk = 0.0021786 k( 322) = ( 0.3227166 -0.3227166 0.3227167), wk = 0.0021786 k( 323) = ( 0.3312092 -0.3312092 0.3312092), wk = 0.0021786 k( 324) = ( 0.3397017 -0.3397017 0.3397017), wk = 0.0021786 k( 325) = ( 0.3481943 -0.3481943 0.3481943), wk = 0.0021786 k( 326) = ( 0.3566868 -0.3566868 0.3566868), wk = 0.0021786 k( 327) = ( 0.3651794 -0.3651794 0.3651794), wk = 0.0021786 k( 328) = ( 0.3736719 -0.3736719 0.3736719), wk = 0.0021786 k( 329) = ( 0.3821644 -0.3821645 0.3821645), wk = 0.0021786 k( 330) = ( 0.3906570 -0.3906570 0.3906570), wk = 0.0021786 k( 331) = ( 0.3991495 -0.3991495 0.3991495), wk = 0.0021786 k( 332) = ( 0.4076421 -0.4076421 0.4076421), wk = 0.0021786 k( 333) = ( 0.4161346 -0.4161346 0.4161346), wk = 0.0021786 k( 334) = ( 0.4246272 -0.4246272 0.4246272), wk = 0.0021786 k( 335) = ( 0.4331197 -0.4331197 0.4331197), wk = 0.0021786 k( 336) = ( 0.4416122 -0.4416123 0.4416123), wk = 0.0021786 k( 337) = ( 0.4501048 -0.4501048 0.4501048), wk = 0.0021786 k( 338) = ( 0.4585973 -0.4585973 0.4585973), wk = 0.0021786 k( 339) = ( 0.4670899 -0.4670899 0.4670899), wk = 0.0021786 k( 340) = ( 0.4755824 -0.4755824 0.4755824), wk = 0.0021786 k( 341) = ( 0.4840750 -0.4840750 0.4840750), wk = 0.0021786 k( 342) = ( 0.4840750 -0.4840750 0.4840750), wk = 0.0021786 k( 343) = ( 0.4844731 -0.4719731 0.4719731), wk = 0.0021786 k( 344) = ( 0.4848712 -0.4598712 0.4598712), wk = 0.0021786 k( 345) = ( 0.4852693 -0.4477694 0.4477694), wk = 0.0021786 k( 346) = ( 0.4856675 -0.4356675 0.4356675), wk = 0.0021786 k( 347) = ( 0.4860656 -0.4235656 0.4235656), wk = 0.0021786 k( 348) = ( 0.4864637 -0.4114637 0.4114637), wk = 0.0021786 k( 349) = ( 0.4868618 -0.3993619 0.3993619), wk = 0.0021786 k( 350) = ( 0.4872600 -0.3872600 0.3872600), wk = 0.0021786 k( 351) = ( 0.4876581 -0.3751581 0.3751581), wk = 0.0021786 k( 352) = ( 0.4880562 -0.3630562 0.3630562), wk = 0.0021786 k( 353) = ( 0.4884543 -0.3509544 0.3509544), wk = 0.0021786 k( 354) = ( 0.4888525 -0.3388525 0.3388525), wk = 0.0021786 k( 355) = ( 0.4892506 -0.3267506 0.3267506), wk = 0.0021786 k( 356) = ( 0.4896487 -0.3146487 0.3146487), wk = 0.0021786 k( 357) = ( 0.4900469 -0.3025469 0.3025469), wk = 0.0021786 k( 358) = ( 0.4904450 -0.2904450 0.2904450), wk = 0.0021786 k( 359) = ( 0.4908431 -0.2783431 0.2783431), wk = 0.0021786 k( 360) = ( 0.4912412 -0.2662412 0.2662412), wk = 0.0021786 k( 361) = ( 0.4916394 -0.2541394 0.2541394), wk = 0.0021786 k( 362) = ( 0.4920375 -0.2420375 0.2420375), wk = 0.0021786 k( 363) = ( 0.4924356 -0.2299356 0.2299356), wk = 0.0021786 k( 364) = ( 0.4928337 -0.2178337 0.2178337), wk = 0.0021786 k( 365) = ( 0.4932319 -0.2057319 0.2057319), wk = 0.0021786 k( 366) = ( 0.4936300 -0.1936300 0.1936300), wk = 0.0021786 k( 367) = ( 0.4940281 -0.1815281 0.1815281), wk = 0.0021786 k( 368) = ( 0.4944262 -0.1694262 0.1694262), wk = 0.0021786 k( 369) = ( 0.4948244 -0.1573244 0.1573244), wk = 0.0021786 k( 370) = ( 0.4952225 -0.1452225 0.1452225), wk = 0.0021786 k( 371) = ( 0.4956206 -0.1331206 0.1331206), wk = 0.0021786 k( 372) = ( 0.4960187 -0.1210187 0.1210187), wk = 0.0021786 k( 373) = ( 0.4964169 -0.1089169 0.1089169), wk = 0.0021786 k( 374) = ( 0.4968150 -0.0968150 0.0968150), wk = 0.0021786 k( 375) = ( 0.4972131 -0.0847131 0.0847131), wk = 0.0021786 k( 376) = ( 0.4976113 -0.0726113 0.0726113), wk = 0.0021786 k( 377) = ( 0.4980094 -0.0605094 0.0605094), wk = 0.0021786 k( 378) = ( 0.4984075 -0.0484075 0.0484075), wk = 0.0021786 k( 379) = ( 0.4988056 -0.0363056 0.0363056), wk = 0.0021786 k( 380) = ( 0.4992038 -0.0242037 0.0242037), wk = 0.0021786 k( 381) = ( 0.4996019 -0.0121019 0.0121019), wk = 0.0021786 k( 382) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0021786 k( 383) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0021786 k( 384) = ( 0.4944444 0.0055556 0.0055556), wk = 0.0021786 k( 385) = ( 0.4888889 0.0111111 0.0111111), wk = 0.0021786 k( 386) = ( 0.4833333 0.0166667 0.0166667), wk = 0.0021786 k( 387) = ( 0.4777778 0.0222222 0.0222222), wk = 0.0021786 k( 388) = ( 0.4722222 0.0277778 0.0277778), wk = 0.0021786 k( 389) = ( 0.4666667 0.0333333 0.0333333), wk = 0.0021786 k( 390) = ( 0.4611111 0.0388889 0.0388889), wk = 0.0021786 k( 391) = ( 0.4555556 0.0444444 0.0444444), wk = 0.0021786 k( 392) = ( 0.4500000 0.0500000 0.0500000), wk = 0.0021786 k( 393) = ( 0.4444444 0.0555556 0.0555556), wk = 0.0021786 k( 394) = ( 0.4388889 0.0611111 0.0611111), wk = 0.0021786 k( 395) = ( 0.4333333 0.0666667 0.0666667), wk = 0.0021786 k( 396) = ( 0.4277778 0.0722222 0.0722222), wk = 0.0021786 k( 397) = ( 0.4222222 0.0777778 0.0777778), wk = 0.0021786 k( 398) = ( 0.4166667 0.0833333 0.0833333), wk = 0.0021786 k( 399) = ( 0.4111111 0.0888889 0.0888889), wk = 0.0021786 k( 400) = ( 0.4055556 0.0944444 0.0944444), wk = 0.0021786 k( 401) = ( 0.4000000 0.1000000 0.1000000), wk = 0.0021786 k( 402) = ( 0.3944444 0.1055556 0.1055556), wk = 0.0021786 k( 403) = ( 0.3888889 0.1111111 0.1111111), wk = 0.0021786 k( 404) = ( 0.3833333 0.1166667 0.1166667), wk = 0.0021786 k( 405) = ( 0.3777778 0.1222222 0.1222222), wk = 0.0021786 k( 406) = ( 0.3722222 0.1277778 0.1277778), wk = 0.0021786 k( 407) = ( 0.3666667 0.1333333 0.1333333), wk = 0.0021786 k( 408) = ( 0.3611111 0.1388889 0.1388889), wk = 0.0021786 k( 409) = ( 0.3555556 0.1444444 0.1444444), wk = 0.0021786 k( 410) = ( 0.3500000 0.1500000 0.1500000), wk = 0.0021786 k( 411) = ( 0.3444444 0.1555556 0.1555556), wk = 0.0021786 k( 412) = ( 0.3388889 0.1611111 0.1611111), wk = 0.0021786 k( 413) = ( 0.3333333 0.1666667 0.1666667), wk = 0.0021786 k( 414) = ( 0.3277778 0.1722222 0.1722222), wk = 0.0021786 k( 415) = ( 0.3222222 0.1777778 0.1777778), wk = 0.0021786 k( 416) = ( 0.3166667 0.1833333 0.1833333), wk = 0.0021786 k( 417) = ( 0.3111111 0.1888889 0.1888889), wk = 0.0021786 k( 418) = ( 0.3055556 0.1944444 0.1944444), wk = 0.0021786 k( 419) = ( 0.3000000 0.2000000 0.2000000), wk = 0.0021786 k( 420) = ( 0.2944444 0.2055556 0.2055556), wk = 0.0021786 k( 421) = ( 0.2888889 0.2111111 0.2111111), wk = 0.0021786 k( 422) = ( 0.2833333 0.2166667 0.2166667), wk = 0.0021786 k( 423) = ( 0.2777778 0.2222222 0.2222222), wk = 0.0021786 k( 424) = ( 0.2722222 0.2277778 0.2277778), wk = 0.0021786 k( 425) = ( 0.2666667 0.2333333 0.2333333), wk = 0.0021786 k( 426) = ( 0.2611111 0.2388889 0.2388889), wk = 0.0021786 k( 427) = ( 0.2555556 0.2444444 0.2444444), wk = 0.0021786 k( 428) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0021786 k( 429) = ( 0.3359921 -0.3359921 0.6321579), wk = 0.0021786 k( 430) = ( 0.3414766 -0.3414766 0.6266733), wk = 0.0021786 k( 431) = ( 0.3469612 -0.3469612 0.6211887), wk = 0.0021786 k( 432) = ( 0.3524457 -0.3524457 0.6157042), wk = 0.0021786 k( 433) = ( 0.3579303 -0.3579303 0.6102197), wk = 0.0021786 k( 434) = ( 0.3634148 -0.3634148 0.6047351), wk = 0.0021786 k( 435) = ( 0.3688994 -0.3688994 0.5992506), wk = 0.0021786 k( 436) = ( 0.3743840 -0.3743840 0.5937660), wk = 0.0021786 k( 437) = ( 0.3798685 -0.3798685 0.5882814), wk = 0.0021786 k( 438) = ( 0.3853530 -0.3853531 0.5827969), wk = 0.0021786 k( 439) = ( 0.3908376 -0.3908376 0.5773123), wk = 0.0021786 k( 440) = ( 0.3963221 -0.3963222 0.5718278), wk = 0.0021786 k( 441) = ( 0.4018067 -0.4018067 0.5663432), wk = 0.0021786 k( 442) = ( 0.4072912 -0.4072913 0.5608587), wk = 0.0021786 k( 443) = ( 0.4127758 -0.4127758 0.5553741), wk = 0.0021786 k( 444) = ( 0.4182604 -0.4182604 0.5498896), wk = 0.0021786 k( 445) = ( 0.4237449 -0.4237449 0.5444050), wk = 0.0021786 k( 446) = ( 0.4292295 -0.4292295 0.5389205), wk = 0.0021786 k( 447) = ( 0.4347140 -0.4347140 0.5334359), wk = 0.0021786 k( 448) = ( 0.4401986 -0.4401986 0.5279514), wk = 0.0021786 k( 449) = ( 0.4456831 -0.4456831 0.5224668), wk = 0.0021786 k( 450) = ( 0.4511677 -0.4511677 0.5169823), wk = 0.0021786 k( 451) = ( 0.4566522 -0.4566522 0.5114977), wk = 0.0021786 k( 452) = ( 0.4621368 -0.4621368 0.5060132), wk = 0.0021786 k( 453) = ( 0.4676213 -0.4676213 0.5005286), wk = 0.0021786 k( 454) = ( 0.4731059 -0.4731059 0.4950441), wk = 0.0021786 k( 455) = ( 0.4785904 -0.4785904 0.4895595), wk = 0.0021786 k( 456) = ( 0.4840750 -0.4840750 0.4840750), wk = 0.0021786 k( 457) = ( 0.5159250 0.4840750 -0.4840750), wk = 0.0021786 k( 458) = ( 0.5079625 0.4920375 -0.4920375), wk = 0.0021786 k( 459) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0021786 Dense grid: 35277 G-vectors FFT dimensions: ( 48, 48, 48) Smooth grid: 26569 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.07 Mb ( 144, 34) NL pseudopotentials 0.06 Mb ( 72, 56) Each V/rho on FFT grid 0.04 Mb ( 2304) Each G-vector array 0.01 Mb ( 735) G-vector shells 0.01 Mb ( 712) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.30 Mb ( 144, 136) Each subspace H/S matrix 0.28 Mb ( 136, 136) Each matrix 0.06 Mb ( 56, 2, 34) Check: negative/imaginary core charge= -0.000006 0.000000 The potential is recalculated from file : ./NaNO2.save/charge-density.dat Starting wfc are 34 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 41.1 secs Computing kpt #: 2 total cpu time spent up to now is 42.1 secs Computing kpt #: 3 total cpu time spent up to now is 43.0 secs Computing kpt #: 4 total cpu time spent up to now is 43.9 secs Computing kpt #: 5 total cpu time spent up to now is 44.9 secs Computing kpt #: 6 total cpu time spent up to now is 45.9 secs Computing kpt #: 7 total cpu time spent up to now is 46.7 secs Computing kpt #: 8 total cpu time spent up to now is 47.7 secs Computing kpt #: 9 total cpu time spent up to now is 48.7 secs Computing kpt #: 10 total cpu time spent up to now is 49.7 secs Computing kpt #: 11 total cpu time spent up to now is 50.8 secs Computing kpt #: 12 total cpu time spent up to now is 52.0 secs Computing kpt #: 13 total cpu time spent up to now is 53.0 secs Computing kpt #: 14 total cpu time spent up to now is 54.2 secs Computing kpt #: 15 total cpu time spent up to now is 55.2 secs Computing kpt #: 16 total cpu time spent up to now is 56.2 secs Computing kpt #: 17 total cpu time spent up to now is 57.2 secs Computing kpt #: 18 total cpu time spent up to now is 58.1 secs Computing kpt #: 19 total cpu time spent up to now is 59.4 secs Computing kpt #: 20 total cpu time spent up to now is 60.7 secs Computing kpt #: 21 total cpu time spent up to now is 61.6 secs Computing kpt #: 22 total cpu time spent up to now is 62.7 secs Computing kpt #: 23 total cpu time spent up to now is 63.5 secs Computing kpt #: 24 total cpu time spent up to now is 64.5 secs Computing kpt #: 25 total cpu time spent up to now is 65.5 secs Computing kpt #: 26 total cpu time spent up to now is 66.5 secs Computing kpt #: 27 total cpu time spent up to now is 67.5 secs Computing kpt #: 28 total cpu time spent up to now is 68.4 secs Computing kpt #: 29 total cpu time spent up to now is 69.3 secs Computing kpt #: 30 total cpu time spent up to now is 70.2 secs Computing kpt #: 31 total cpu time spent up to now is 71.1 secs Computing kpt #: 32 total cpu time spent up to now is 71.9 secs Computing kpt #: 33 total cpu time spent up to now is 72.8 secs Computing kpt #: 34 total cpu time spent up to now is 73.5 secs Computing kpt #: 35 total cpu time spent up to now is 74.2 secs Computing kpt #: 36 total cpu time spent up to now is 74.9 secs Computing kpt #: 37 total cpu time spent up to now is 75.7 secs Computing kpt #: 38 total cpu time spent up to now is 76.4 secs Computing kpt #: 39 total cpu time spent up to now is 77.2 secs Computing kpt #: 40 total cpu time spent up to now is 77.9 secs Computing kpt #: 41 total cpu time spent up to now is 78.6 secs Computing kpt #: 42 total cpu time spent up to now is 79.3 secs Computing kpt #: 43 total cpu time spent up to now is 80.0 secs Computing kpt #: 44 total cpu time spent up to now is 80.7 secs Computing kpt #: 45 total cpu time spent up to now is 81.7 secs Computing kpt #: 46 total cpu time spent up to now is 82.8 secs Computing kpt #: 47 total cpu time spent up to now is 84.0 secs Computing kpt #: 48 total cpu time spent up to now is 85.4 secs Computing kpt #: 49 total cpu time spent up to now is 86.7 secs Computing kpt #: 50 total cpu time spent up to now is 87.9 secs Computing kpt #: 51 total cpu time spent up to now is 88.9 secs Computing kpt #: 52 total cpu time spent up to now is 89.8 secs Computing kpt #: 53 total cpu time spent up to now is 90.8 secs Computing kpt #: 54 total cpu time spent up to now is 91.8 secs Computing kpt #: 55 total cpu time spent up to now is 92.8 secs Computing kpt #: 56 total cpu time spent up to now is 93.8 secs Computing kpt #: 57 total cpu time spent up to now is 94.7 secs Computing kpt #: 58 total cpu time spent up to now is 95.6 secs Computing kpt #: 59 total cpu time spent up to now is 96.4 secs Computing kpt #: 60 total cpu time spent up to now is 97.3 secs Computing kpt #: 61 total cpu time spent up to now is 98.0 secs Computing kpt #: 62 total cpu time spent up to now is 98.8 secs Computing kpt #: 63 total cpu time spent up to now is 99.9 secs Computing kpt #: 64 total cpu time spent up to now is 100.7 secs Computing kpt #: 65 total cpu time spent up to now is 101.6 secs Computing kpt #: 66 total cpu time spent up to now is 102.6 secs Computing kpt #: 67 total cpu time spent up to now is 103.4 secs Computing kpt #: 68 total cpu time spent up to now is 104.1 secs Computing kpt #: 69 total cpu time spent up to now is 105.0 secs Computing kpt #: 70 total cpu time spent up to now is 105.9 secs Computing kpt #: 71 total cpu time spent up to now is 106.8 secs Computing kpt #: 72 total cpu time spent up to now is 107.7 secs Computing kpt #: 73 total cpu time spent up to now is 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Computing kpt #: 150 total cpu time spent up to now is 167.3 secs Computing kpt #: 151 total cpu time spent up to now is 168.1 secs Computing kpt #: 152 total cpu time spent up to now is 168.8 secs Computing kpt #: 153 total cpu time spent up to now is 169.6 secs Computing kpt #: 154 total cpu time spent up to now is 170.3 secs Computing kpt #: 155 total cpu time spent up to now is 171.1 secs Computing kpt #: 156 total cpu time spent up to now is 171.8 secs Computing kpt #: 157 total cpu time spent up to now is 172.6 secs Computing kpt #: 158 total cpu time spent up to now is 173.3 secs Computing kpt #: 159 total cpu time spent up to now is 174.1 secs Computing kpt #: 160 total cpu time spent up to now is 174.7 secs Computing kpt #: 161 total cpu time spent up to now is 175.5 secs Computing kpt #: 162 total cpu time spent up to now is 176.2 secs Computing kpt #: 163 total cpu time spent up to now is 176.9 secs Computing kpt #: 164 total cpu time spent up to now is 177.7 secs Computing 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total cpu time spent up to now is 189.7 secs Computing kpt #: 181 total cpu time spent up to now is 190.5 secs Computing kpt #: 182 total cpu time spent up to now is 191.4 secs Computing kpt #: 183 total cpu time spent up to now is 192.2 secs Computing kpt #: 184 total cpu time spent up to now is 193.1 secs Computing kpt #: 185 total cpu time spent up to now is 193.9 secs Computing kpt #: 186 total cpu time spent up to now is 194.7 secs Computing kpt #: 187 total cpu time spent up to now is 195.9 secs Computing kpt #: 188 total cpu time spent up to now is 196.9 secs Computing kpt #: 189 total cpu time spent up to now is 197.8 secs Computing kpt #: 190 total cpu time spent up to now is 198.8 secs Computing kpt #: 191 total cpu time spent up to now is 199.7 secs Computing kpt #: 192 total cpu time spent up to now is 200.5 secs Computing kpt #: 193 total cpu time spent up to now is 201.5 secs Computing kpt #: 194 total cpu time spent up to now is 202.4 secs Computing kpt #: 195 total cpu 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secs Computing kpt #: 241 total cpu time spent up to now is 235.8 secs Computing kpt #: 242 total cpu time spent up to now is 236.4 secs Computing kpt #: 243 total cpu time spent up to now is 237.0 secs Computing kpt #: 244 total cpu time spent up to now is 237.7 secs Computing kpt #: 245 total cpu time spent up to now is 238.4 secs Computing kpt #: 246 total cpu time spent up to now is 239.0 secs Computing kpt #: 247 total cpu time spent up to now is 239.6 secs Computing kpt #: 248 total cpu time spent up to now is 240.3 secs Computing kpt #: 249 total cpu time spent up to now is 240.9 secs Computing kpt #: 250 total cpu time spent up to now is 241.5 secs Computing kpt #: 251 total cpu time spent up to now is 242.1 secs Computing kpt #: 252 total cpu time spent up to now is 242.7 secs Computing kpt #: 253 total cpu time spent up to now is 243.4 secs Computing kpt #: 254 total cpu time spent up to now is 244.1 secs Computing kpt #: 255 total cpu time spent up to now is 244.7 secs 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Computing kpt #: 362 total cpu time spent up to now is 335.5 secs Computing kpt #: 363 total cpu time spent up to now is 336.2 secs Computing kpt #: 364 total cpu time spent up to now is 337.0 secs Computing kpt #: 365 total cpu time spent up to now is 337.7 secs Computing kpt #: 366 total cpu time spent up to now is 338.4 secs Computing kpt #: 367 total cpu time spent up to now is 339.1 secs Computing kpt #: 368 total cpu time spent up to now is 339.7 secs Computing kpt #: 369 total cpu time spent up to now is 340.4 secs Computing kpt #: 370 total cpu time spent up to now is 341.4 secs Computing kpt #: 371 total cpu time spent up to now is 342.1 secs Computing kpt #: 372 total cpu time spent up to now is 342.7 secs Computing kpt #: 373 total cpu time spent up to now is 343.4 secs Computing kpt #: 374 total cpu time spent up to now is 344.0 secs Computing kpt #: 375 total cpu time spent up to now is 344.8 secs Computing kpt #: 376 total cpu time spent up to now is 345.5 secs Computing kpt #: 377 total cpu time spent up to now is 346.2 secs Computing kpt #: 378 total cpu time spent up to now is 346.9 secs Computing kpt #: 379 total cpu time spent up to now is 347.7 secs Computing kpt #: 380 total cpu time spent up to now is 348.4 secs Computing kpt #: 381 total cpu time spent up to now is 349.2 secs Computing kpt #: 382 total cpu time spent up to now is 349.9 secs Computing kpt #: 383 total cpu time spent up to now is 350.6 secs Computing kpt #: 384 total cpu time spent up to now is 351.2 secs Computing kpt #: 385 total cpu time spent up to now is 351.9 secs Computing kpt #: 386 total cpu time spent up to now is 352.7 secs Computing kpt #: 387 total cpu time spent up to now is 353.5 secs Computing kpt #: 388 total cpu time spent up to now is 354.1 secs Computing kpt #: 389 total cpu time spent up to now is 354.8 secs Computing kpt #: 390 total cpu time spent up to now is 355.5 secs Computing kpt #: 391 total cpu time spent up to now is 356.3 secs Computing kpt #: 392 total cpu time spent up to now is 357.0 secs Computing kpt #: 393 total cpu time spent up to now is 357.7 secs Computing kpt #: 394 total cpu time spent up to now is 358.5 secs Computing kpt #: 395 total cpu time spent up to now is 359.3 secs Computing kpt #: 396 total cpu time spent up to now is 360.1 secs Computing kpt #: 397 total cpu time spent up to now is 360.8 secs Computing kpt #: 398 total cpu time spent up to now is 361.7 secs Computing kpt #: 399 total cpu time spent up to now is 362.5 secs Computing kpt #: 400 total cpu time spent up to now is 363.4 secs Computing kpt #: 401 total cpu time spent up to now is 364.4 secs Computing kpt #: 402 total cpu time spent up to now is 365.2 secs Computing kpt #: 403 total cpu time spent up to now is 366.1 secs Computing kpt #: 404 total cpu time spent up to now is 367.0 secs Computing kpt #: 405 total cpu time spent up to now is 367.8 secs Computing kpt #: 406 total cpu time spent up to now is 368.8 secs Computing kpt #: 407 total cpu time spent up to now is 370.0 secs Computing kpt #: 408 total cpu time spent up to now is 371.1 secs Computing kpt #: 409 total cpu time spent up to now is 372.1 secs Computing kpt #: 410 total cpu time spent up to now is 372.9 secs Computing kpt #: 411 total cpu time spent up to now is 373.8 secs Computing kpt #: 412 total cpu time spent up to now is 374.7 secs Computing kpt #: 413 total cpu time spent up to now is 375.6 secs Computing kpt #: 414 total cpu time spent up to now is 376.4 secs Computing kpt #: 415 total cpu time spent up to now is 377.3 secs Computing kpt #: 416 total cpu time spent up to now is 378.1 secs Computing kpt #: 417 total cpu time spent up to now is 379.0 secs Computing kpt #: 418 total cpu time spent up to now is 379.8 secs Computing kpt #: 419 total cpu time spent up to now is 380.4 secs Computing kpt #: 420 total cpu time spent up to now is 381.2 secs Computing kpt #: 421 total cpu time spent up to now is 382.4 secs Computing kpt #: 422 total cpu time spent up to now is 383.4 secs Computing kpt #: 423 total cpu time spent up to now is 384.9 secs Computing kpt #: 424 total cpu time spent up to now is 385.9 secs Computing kpt #: 425 total cpu time spent up to now is 386.9 secs Computing kpt #: 426 total cpu time spent up to now is 387.7 secs Computing kpt #: 427 total cpu time spent up to now is 388.5 secs Computing kpt #: 428 total cpu time spent up to now is 389.2 secs Computing kpt #: 429 total cpu time spent up to now is 390.3 secs Computing kpt #: 430 total cpu time spent up to now is 391.2 secs Computing kpt #: 431 total cpu time spent up to now is 393.2 secs Computing kpt #: 432 total cpu time spent up to now is 394.2 secs Computing kpt #: 433 total cpu time spent up to now is 395.1 secs Computing kpt #: 434 total cpu time spent up to now is 396.0 secs Computing kpt #: 435 total cpu time spent up to now is 397.0 secs Computing kpt #: 436 total cpu time spent up to now is 397.8 secs Computing kpt #: 437 total cpu time spent up to now is 398.6 secs Computing kpt #: 438 total cpu time spent up to now is 399.5 secs Computing kpt #: 439 total cpu time spent up to now is 400.2 secs Computing kpt #: 440 total cpu time spent up to now is 401.0 secs Computing kpt #: 441 total cpu time spent up to now is 401.9 secs Computing kpt #: 442 total cpu time spent up to now is 402.8 secs Computing kpt #: 443 total cpu time spent up to now is 403.5 secs Computing kpt #: 444 total cpu time spent up to now is 404.1 secs Computing kpt #: 445 total cpu time spent up to now is 404.7 secs Computing kpt #: 446 total cpu time spent up to now is 405.4 secs Computing kpt #: 447 total cpu time spent up to now is 406.1 secs Computing kpt #: 448 total cpu time spent up to now is 406.8 secs Computing kpt #: 449 total cpu time spent up to now is 407.6 secs Computing kpt #: 450 total cpu time spent up to now is 408.2 secs Computing kpt #: 451 total cpu time spent up to now is 408.9 secs Computing kpt #: 452 total cpu time spent up to now is 409.5 secs Computing kpt #: 453 total cpu time spent up to now is 410.1 secs Computing kpt #: 454 total cpu time spent up to now is 410.8 secs Computing kpt #: 455 total cpu time spent up to now is 411.4 secs Computing kpt #: 456 total cpu time spent up to now is 412.1 secs Computing kpt #: 457 total cpu time spent up to now is 412.9 secs Computing kpt #: 458 total cpu time spent up to now is 413.7 secs Computing kpt #: 459 total cpu time spent up to now is 414.3 secs ethr = 3.85E-11, avg # of iterations = 28.1 total cpu time spent up to now is 414.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3317 PWs) bands (ev): -47.4578 -47.4578 -22.4105 -22.4105 -19.5102 -19.5102 -19.3429 -19.3429 -19.3147 -19.3147 -17.6097 -17.6097 -7.6251 -7.6251 -4.6388 -4.6388 -4.2141 -4.2141 -3.9852 -3.9852 0.0304 0.0304 0.8685 0.8685 1.6005 1.6005 5.0788 5.0788 8.1925 8.1925 12.7960 12.7960 14.2340 14.2340 k =-0.0056 0.0048 0.0112 ( 3317 PWs) bands (ev): -47.4578 -47.4578 -22.4104 -22.4104 -19.5103 -19.5101 -19.3429 -19.3428 -19.3149 -19.3145 -17.6097 -17.6097 -7.6251 -7.6251 -4.6386 -4.6386 -4.2155 -4.2142 -3.9860 -3.9846 0.0299 0.0299 0.8686 0.8687 1.6008 1.6009 5.0779 5.0781 8.1942 8.1944 12.7959 12.7960 14.2361 14.2361 k =-0.0112 0.0096 0.0224 ( 3313 PWs) bands (ev): -47.4577 -47.4577 -22.4102 -22.4102 -19.5104 -19.5100 -19.3430 -19.3427 -19.3151 -19.3144 -17.6098 -17.6098 -7.6250 -7.6250 -4.6381 -4.6381 -4.2181 -4.2155 -3.9869 -3.9841 0.0284 0.0285 0.8691 0.8692 1.6021 1.6023 5.0756 5.0758 8.1995 8.1998 12.7957 12.7958 14.2422 14.2422 k =-0.0168 0.0145 0.0335 ( 3311 PWs) bands (ev): -47.4577 -47.4577 -22.4100 -22.4099 -19.5104 -19.5099 -19.3430 -19.3425 -19.3153 -19.3143 -17.6101 -17.6101 -7.6248 -7.6248 -4.6374 -4.6374 -4.2220 -4.2182 -3.9879 -3.9837 0.0260 0.0261 0.8699 0.8701 1.6041 1.6044 5.0717 5.0721 8.2083 8.2088 12.7953 12.7955 14.2523 14.2524 k =-0.0223 0.0193 0.0447 ( 3315 PWs) bands (ev): -47.4577 -47.4577 -22.4096 -22.4095 -19.5105 -19.5098 -19.3430 -19.3424 -19.3156 -19.3142 -17.6104 -17.6104 -7.6246 -7.6246 -4.6363 -4.6363 -4.2272 -4.2222 -3.9889 -3.9835 0.0225 0.0227 0.8709 0.8713 1.6070 1.6074 5.0664 5.0668 8.2207 8.2213 12.7948 12.7950 14.2665 14.2665 k =-0.0279 0.0241 0.0559 ( 3315 PWs) bands (ev): -47.4577 -47.4577 -22.4090 -22.4090 -19.5105 -19.5096 -19.3430 -19.3422 -19.3159 -19.3142 -17.6108 -17.6107 -7.6243 -7.6243 -4.6349 -4.6349 -4.2337 -4.2276 -3.9900 -3.9834 0.0182 0.0185 0.8724 0.8727 1.6107 1.6112 5.0596 5.0601 8.2365 8.2372 12.7940 12.7943 14.2845 14.2846 k =-0.0335 0.0289 0.0671 ( 3315 PWs) bands (ev): -47.4577 -47.4577 -22.4084 -22.4084 -19.5106 -19.5095 -19.3429 -19.3421 -19.3162 -19.3142 -17.6112 -17.6112 -7.6240 -7.6239 -4.6333 -4.6333 -4.2415 -4.2345 -3.9910 -3.9833 0.0130 0.0133 0.8741 0.8746 1.6152 1.6158 5.0514 5.0520 8.2557 8.2566 12.7930 12.7933 14.3063 14.3064 k =-0.0391 0.0337 0.0783 ( 3319 PWs) bands (ev): -47.4577 -47.4577 -22.4077 -22.4076 -19.5106 -19.5093 -19.3429 -19.3419 -19.3165 -19.3142 -17.6118 -17.6118 -7.6236 -7.6235 -4.6313 -4.6313 -4.2506 -4.2427 -3.9918 -3.9832 0.0068 0.0072 0.8761 0.8767 1.6204 1.6211 5.0419 5.0426 8.2784 8.2794 12.7918 12.7921 14.3318 14.3319 k =-0.0447 0.0385 0.0894 ( 3319 PWs) bands (ev): -47.4576 -47.4576 -22.4068 -22.4068 -19.5106 -19.5091 -19.3428 -19.3416 -19.3169 -19.3143 -17.6124 -17.6124 -7.6231 -7.6231 -4.6291 -4.6290 -4.2609 -4.2523 -3.9926 -3.9832 -0.0002 0.0003 0.8785 0.8791 1.6263 1.6272 5.0311 5.0320 8.3044 8.3055 12.7902 12.7907 14.3606 14.3607 k =-0.0503 0.0434 0.1006 ( 3319 PWs) bands (ev): -47.4576 -47.4576 -22.4059 -22.4058 -19.5106 -19.5090 -19.3427 -19.3414 -19.3173 -19.3143 -17.6131 -17.6131 -7.6227 -7.6226 -4.6265 -4.6265 -4.2724 -4.2632 -3.9932 -3.9831 -0.0079 -0.0074 0.8812 0.8819 1.6330 1.6339 5.0193 5.0202 8.3336 8.3348 12.7884 12.7888 14.3926 14.3927 k =-0.0559 0.0482 0.1118 ( 3315 PWs) bands (ev): -47.4576 -47.4576 -22.4048 -22.4048 -19.5106 -19.5088 -19.3426 -19.3412 -19.3176 -19.3144 -17.6139 -17.6139 -7.6222 -7.6221 -4.6237 -4.6237 -4.2851 -4.2754 -3.9936 -3.9830 -0.0163 -0.0158 0.8842 0.8850 1.6402 1.6412 5.0063 5.0074 8.3659 8.3673 12.7861 12.7866 14.4273 14.4274 k =-0.0614 0.0530 0.1230 ( 3319 PWs) bands (ev): -47.4575 -47.4575 -22.4037 -22.4036 -19.5106 -19.5086 -19.3424 -19.3409 -19.3181 -19.3146 -17.6148 -17.6148 -7.6217 -7.6216 -4.6207 -4.6206 -4.2989 -4.2889 -3.9939 -3.9828 -0.0255 -0.0249 0.8875 0.8883 1.6480 1.6491 4.9924 4.9935 8.4014 8.4028 12.7833 12.7839 14.4640 14.4642 k =-0.0670 0.0578 0.1342 ( 3317 PWs) bands (ev): -47.4575 -47.4575 -22.4025 -22.4024 -19.5106 -19.5084 -19.3423 -19.3407 -19.3185 -19.3147 -17.6157 -17.6157 -7.6211 -7.6211 -4.6173 -4.6173 -4.3138 -4.3036 -3.9938 -3.9825 -0.0353 -0.0347 0.8911 0.8920 1.6564 1.6575 4.9777 4.9788 8.4398 8.4413 12.7801 12.7807 14.5021 14.5023 k =-0.0726 0.0626 0.1453 ( 3319 PWs) bands (ev): -47.4575 -47.4575 -22.4011 -22.4011 -19.5106 -19.5082 -19.3421 -19.3404 -19.3189 -19.3148 -17.6167 -17.6167 -7.6206 -7.6206 -4.6138 -4.6137 -4.3297 -4.3193 -3.9937 -3.9821 -0.0457 -0.0450 0.8950 0.8959 1.6653 1.6664 4.9620 4.9633 8.4811 8.4827 12.7763 12.7769 14.5402 14.5404 k =-0.0782 0.0675 0.1565 ( 3319 PWs) bands (ev): -47.4574 -47.4574 -22.3997 -22.3996 -19.5106 -19.5080 -19.3420 -19.3402 -19.3193 -19.3150 -17.6178 -17.6178 -7.6201 -7.6201 -4.6099 -4.6099 -4.3464 -4.3360 -3.9932 -3.9816 -0.0566 -0.0558 0.8992 0.9002 1.6746 1.6758 4.9458 4.9471 8.5252 8.5269 12.7719 12.7725 14.5763 14.5766 k =-0.0838 0.0723 0.1677 ( 3315 PWs) bands (ev): -47.4574 -47.4574 -22.3982 -22.3981 -19.5106 -19.5078 -19.3418 -19.3399 -19.3197 -19.3151 -17.6190 -17.6190 -7.6197 -7.6196 -4.6059 -4.6058 -4.3640 -4.3536 -3.9927 -3.9809 -0.0679 -0.0671 0.9037 0.9047 1.6842 1.6855 4.9291 4.9304 8.5720 8.5737 12.7667 12.7675 14.6074 14.6077 k =-0.0894 0.0771 0.1789 ( 3315 PWs) bands (ev): -47.4573 -47.4573 -22.3967 -22.3966 -19.5106 -19.5076 -19.3416 -19.3397 -19.3201 -19.3153 -17.6202 -17.6202 -7.6193 -7.6192 -4.6016 -4.6016 -4.3823 -4.3719 -3.9919 -3.9802 -0.0796 -0.0788 0.9084 0.9096 1.6942 1.6955 4.9119 4.9133 8.6214 8.6231 12.7609 12.7616 14.6289 14.6292 k =-0.0950 0.0819 0.1901 ( 3323 PWs) bands (ev): -47.4573 -47.4573 -22.3950 -22.3949 -19.5107 -19.5075 -19.3414 -19.3396 -19.3205 -19.3155 -17.6214 -17.6214 -7.6189 -7.6189 -4.5971 -4.5971 -4.4013 -4.3910 -3.9910 -3.9793 -0.0916 -0.0908 0.9135 0.9146 1.7045 1.7058 4.8944 4.8958 8.6732 8.6750 12.7542 12.7550 14.6345 14.6349 k =-0.1005 0.0867 0.2012 ( 3325 PWs) bands (ev): -47.4572 -47.4572 -22.3933 -22.3932 -19.5107 -19.5074 -19.3413 -19.3394 -19.3208 -19.3157 -17.6228 -17.6228 -7.6186 -7.6186 -4.5925 -4.5924 -4.4208 -4.4106 -3.9900 -3.9784 -0.1039 -0.1030 0.9188 0.9200 1.7150 1.7164 4.8767 4.8781 8.7274 8.7292 12.7467 12.7476 14.6190 14.6194 k =-0.1061 0.0916 0.2124 ( 3325 PWs) bands (ev): -47.4572 -47.4572 -22.3916 -22.3915 -19.5108 -19.5072 -19.3411 -19.3393 -19.3212 -19.3158 -17.6241 -17.6241 -7.6185 -7.6184 -4.5876 -4.5875 -4.4406 -4.4307 -3.9888 -3.9774 -0.1163 -0.1153 0.9243 0.9256 1.7257 1.7271 4.8589 4.8604 8.7838 8.7856 12.7383 12.7392 14.5806 14.5810 k =-0.1117 0.0964 0.2236 ( 3325 PWs) bands (ev): -47.4571 -47.4571 -22.3898 -22.3896 -19.5108 -19.5071 -19.3410 -19.3392 -19.3214 -19.3160 -17.6256 -17.6255 -7.6184 -7.6183 -4.5826 -4.5825 -4.4608 -4.4511 -3.9876 -3.9763 -0.1288 -0.1278 0.9302 0.9315 1.7365 1.7379 4.8411 4.8427 8.8423 8.8441 12.7289 12.7299 14.5229 14.5234 k =-0.1173 0.1012 0.2348 ( 3321 PWs) bands (ev): -47.4571 -47.4571 -22.3879 -22.3878 -19.5109 -19.5069 -19.3408 -19.3391 -19.3217 -19.3161 -17.6270 -17.6270 -7.6184 -7.6184 -4.5774 -4.5773 -4.4812 -4.4717 -3.9863 -3.9752 -0.1413 -0.1402 0.9362 0.9376 1.7474 1.7488 4.8235 4.8251 8.9029 8.9047 12.7185 12.7195 14.4515 14.4522 k =-0.1229 0.1060 0.2460 ( 3325 PWs) bands (ev): -47.4570 -47.4570 -22.3860 -22.3859 -19.5110 -19.5069 -19.3407 -19.3391 -19.3219 -19.3163 -17.6285 -17.6285 -7.6186 -7.6186 -4.5720 -4.5720 -4.5017 -4.4924 -3.9849 -3.9740 -0.1537 -0.1526 0.9425 0.9440 1.7583 1.7597 4.8061 4.8077 8.9653 8.9670 12.7070 12.7081 14.3714 14.3723 k =-0.1285 0.1108 0.2571 ( 3325 PWs) bands (ev): -47.4570 -47.4570 -22.3841 -22.3839 -19.5110 -19.5068 -19.3406 -19.3391 -19.3221 -19.3165 -17.6301 -17.6301 -7.6189 -7.6189 -4.5666 -4.5665 -4.5221 -4.5131 -3.9836 -3.9729 -0.1660 -0.1649 0.9491 0.9506 1.7691 1.7706 4.7891 4.7907 9.0294 9.0312 12.6944 12.6956 14.2861 14.2872 k =-0.1341 0.1156 0.2683 ( 3319 PWs) bands (ev): -47.4569 -47.4569 -22.3821 -22.3819 -19.5111 -19.5067 -19.3405 -19.3391 -19.3223 -19.3166 -17.6316 -17.6316 -7.6194 -7.6194 -4.5612 -4.5608 -4.5422 -4.5337 -3.9822 -3.9717 -0.1781 -0.1770 0.9559 0.9574 1.7800 1.7813 4.7725 4.7742 9.0953 9.0970 12.6808 12.6820 14.1980 14.1993 k =-0.1396 0.1205 0.2795 ( 3321 PWs) bands (ev): -47.4568 -47.4568 -22.3801 -22.3799 -19.5112 -19.5066 -19.3404 -19.3392 -19.3224 -19.3167 -17.6332 -17.6332 -7.6201 -7.6201 -4.5637 -4.5551 -4.5541 -4.5541 -3.9809 -3.9706 -0.1900 -0.1888 0.9629 0.9645 1.7907 1.7921 4.7565 4.7581 9.1626 9.1643 12.6659 12.6672 14.1084 14.1099 k =-0.1452 0.1253 0.2907 ( 3325 PWs) bands (ev): -47.4568 -47.4568 -22.3781 -22.3779 -19.5114 -19.5066 -19.3404 -19.3394 -19.3225 -19.3169 -17.6349 -17.6349 -7.6210 -7.6209 -4.5829 -4.5742 -4.5493 -4.5490 -3.9796 -3.9695 -0.2015 -0.2003 0.9701 0.9717 1.8013 1.8026 4.7412 4.7428 9.2313 9.2329 12.6499 12.6513 14.0184 14.0202 k =-0.1508 0.1301 0.3019 ( 3327 PWs) bands (ev): -47.4567 -47.4567 -22.3761 -22.3759 -19.5116 -19.5066 -19.3403 -19.3396 -19.3226 -19.3170 -17.6365 -17.6365 -7.6221 -7.6220 -4.6022 -4.5939 -4.5434 -4.5432 -3.9784 -3.9685 -0.2126 -0.2113 0.9775 0.9791 1.8117 1.8130 4.7265 4.7282 9.3013 9.3029 12.6327 12.6342 13.9286 13.9306 k =-0.1564 0.1349 0.3130 ( 3331 PWs) bands (ev): -47.4567 -47.4567 -22.3741 -22.3739 -19.5117 -19.5067 -19.3404 -19.3398 -19.3226 -19.3171 -17.6382 -17.6382 -7.6234 -7.6233 -4.6212 -4.6131 -4.5375 -4.5373 -3.9772 -3.9676 -0.2232 -0.2219 0.9850 0.9867 1.8219 1.8232 4.7127 4.7143 9.3725 9.3740 12.6144 12.6159 13.8396 13.8417 k =-0.1620 0.1397 0.3242 ( 3335 PWs) bands (ev): -47.4566 -47.4566 -22.3720 -22.3719 -19.5119 -19.5067 -19.3404 -19.3401 -19.3226 -19.3172 -17.6399 -17.6399 -7.6249 -7.6249 -4.6396 -4.6317 -4.5315 -4.5313 -3.9762 -3.9667 -0.2333 -0.2320 0.9928 0.9946 1.8319 1.8331 4.6997 4.7014 9.4446 9.4460 12.5948 12.5965 13.7515 13.7538 k =-0.1676 0.1446 0.3354 ( 3337 PWs) bands (ev): -47.4566 -47.4566 -22.3700 -22.3698 -19.5121 -19.5068 -19.3405 -19.3404 -19.3227 -19.3173 -17.6415 -17.6415 -7.6267 -7.6266 -4.6573 -4.6496 -4.5254 -4.5253 -3.9752 -3.9660 -0.2428 -0.2414 1.0007 1.0025 1.8416 1.8428 4.6878 4.6895 9.5176 9.5190 12.5742 12.5759 13.6647 13.6672 k =-0.1732 0.1494 0.3466 ( 3333 PWs) bands (ev): -47.4565 -47.4565 -22.3680 -22.3678 -19.5123 -19.5068 -19.3406 -19.3406 -19.3226 -19.3174 -17.6432 -17.6432 -7.6288 -7.6287 -4.6742 -4.6668 -4.5193 -4.5192 -3.9744 -3.9654 -0.2516 -0.2502 1.0088 1.0107 1.8511 1.8522 4.6769 4.6786 9.5914 9.5926 12.5524 12.5542 13.5793 13.5820 k =-0.1788 0.1542 0.3578 ( 3333 PWs) bands (ev): -47.4565 -47.4565 -22.3661 -22.3658 -19.5125 -19.5069 -19.3410 -19.3407 -19.3227 -19.3175 -17.6449 -17.6449 -7.6311 -7.6310 -4.6904 -4.6832 -4.5132 -4.5131 -3.9738 -3.9649 -0.2598 -0.2583 1.0171 1.0189 1.8602 1.8613 4.6671 4.6688 9.6658 9.6669 12.5295 12.5314 13.4955 13.4984 k =-0.1843 0.1590 0.3689 ( 3331 PWs) bands (ev): -47.4564 -47.4564 -22.3641 -22.3639 -19.5127 -19.5070 -19.3413 -19.3408 -19.3227 -19.3176 -17.6466 -17.6465 -7.6337 -7.6336 -4.7057 -4.6987 -4.5072 -4.5070 -3.9733 -3.9646 -0.2671 -0.2656 1.0254 1.0273 1.8690 1.8700 4.6585 4.6602 9.7406 9.7416 12.5056 12.5075 13.4134 13.4165 k =-0.1899 0.1638 0.3801 ( 3331 PWs) bands (ev): -47.4564 -47.4564 -22.3622 -22.3619 -19.5130 -19.5072 -19.3416 -19.3410 -19.3227 -19.3176 -17.6482 -17.6482 -7.6366 -7.6365 -4.7200 -4.7132 -4.5011 -4.5009 -3.9729 -3.9644 -0.2738 -0.2721 1.0340 1.0359 1.8775 1.8785 4.6511 4.6528 9.8157 9.8167 12.4806 12.4826 13.3331 13.3363 k =-0.1955 0.1686 0.3913 ( 3323 PWs) bands (ev): -47.4564 -47.4564 -22.3603 -22.3600 -19.5132 -19.5073 -19.3420 -19.3412 -19.3226 -19.3177 -17.6498 -17.6498 -7.6398 -7.6396 -4.7333 -4.7267 -4.4950 -4.4948 -3.9727 -3.9644 -0.2794 -0.2778 1.0426 1.0445 1.8857 1.8865 4.6450 4.6467 9.8910 9.8918 12.4547 12.4568 13.2545 13.2579 k =-0.2011 0.1735 0.4025 ( 3319 PWs) bands (ev): -47.4563 -47.4563 -22.3584 -22.3582 -19.5134 -19.5074 -19.3423 -19.3414 -19.3227 -19.3178 -17.6515 -17.6515 -7.6433 -7.6431 -4.7456 -4.7392 -4.4890 -4.4888 -3.9728 -3.9646 -0.2843 -0.2826 1.0513 1.0533 1.8934 1.8941 4.6403 4.6420 9.9663 9.9669 12.4279 12.4300 13.1779 13.1814 k =-0.2067 0.1783 0.4137 ( 3319 PWs) bands (ev): -47.4563 -47.4563 -22.3566 -22.3564 -19.5137 -19.5076 -19.3427 -19.3417 -19.3228 -19.3179 -17.6531 -17.6531 -7.6472 -7.6469 -4.7567 -4.7505 -4.4830 -4.4828 -3.9730 -3.9651 -0.2882 -0.2864 1.0601 1.0621 1.9007 1.9014 4.6368 4.6385 10.0413 10.0419 12.4002 12.4023 13.1032 13.1068 k =-0.2123 0.1831 0.4248 ( 3327 PWs) bands (ev): -47.4563 -47.4563 -22.3549 -22.3546 -19.5140 -19.5079 -19.3431 -19.3420 -19.3230 -19.3181 -17.6546 -17.6546 -7.6513 -7.6510 -4.7668 -4.7607 -4.4771 -4.4769 -3.9735 -3.9657 -0.2911 -0.2893 1.0689 1.0710 1.9077 1.9083 4.6348 4.6365 10.1160 10.1164 12.3716 12.3738 13.0305 13.0343 k =-0.2179 0.1879 0.4360 ( 3327 PWs) bands (ev): -47.4562 -47.4562 -22.3532 -22.3529 -19.5143 -19.5081 -19.3435 -19.3424 -19.3231 -19.3183 -17.6562 -17.6562 -7.6558 -7.6555 -4.7756 -4.7696 -4.4713 -4.4710 -3.9742 -3.9666 -0.2931 -0.2912 1.0778 1.0799 1.9142 1.9148 4.6342 4.6359 10.1901 10.1903 12.3422 12.3444 12.9599 12.9637 k =-0.2234 0.1927 0.4472 ( 3331 PWs) bands (ev): -47.4562 -47.4562 -22.3515 -22.3512 -19.5146 -19.5084 -19.3439 -19.3428 -19.3233 -19.3184 -17.6577 -17.6577 -7.6605 -7.6602 -4.7831 -4.7773 -4.4655 -4.4653 -3.9751 -3.9677 -0.2940 -0.2922 1.0868 1.0889 1.9204 1.9209 4.6350 4.6367 10.2633 10.2634 12.3120 12.3142 12.8914 12.8954 k =-0.2290 0.1976 0.4584 ( 3335 PWs) bands (ev): -47.4562 -47.4562 -22.3499 -22.3497 -19.5150 -19.5087 -19.3443 -19.3432 -19.3235 -19.3186 -17.6592 -17.6592 -7.6656 -7.6653 -4.7894 -4.7838 -4.4599 -4.4596 -3.9762 -3.9690 -0.2940 -0.2920 1.0958 1.0979 1.9262 1.9265 4.6373 4.6390 10.3355 10.3356 12.2810 12.2832 12.8252 12.8292 k =-0.2346 0.2024 0.4696 ( 3331 PWs) bands (ev): -47.4562 -47.4562 -22.3484 -22.3481 -19.5153 -19.5090 -19.3446 -19.3436 -19.3237 -19.3187 -17.6606 -17.6606 -7.6710 -7.6706 -4.7944 -4.7889 -4.4543 -4.4540 -3.9776 -3.9705 -0.2928 -0.2909 1.1048 1.1070 1.9315 1.9318 4.6411 4.6428 10.4062 10.4065 12.2492 12.2513 12.7613 12.7654 k =-0.2402 0.2072 0.4807 ( 3325 PWs) bands (ev): -47.4561 -47.4561 -22.3469 -22.3467 -19.5156 -19.5093 -19.3450 -19.3440 -19.3240 -19.3189 -17.6620 -17.6620 -7.6767 -7.6763 -4.7981 -4.7927 -4.4489 -4.4485 -3.9792 -3.9722 -0.2906 -0.2886 1.1139 1.1161 1.9365 1.9367 4.6463 4.6480 10.4754 10.4759 12.2164 12.2185 12.6999 12.7041 k =-0.2458 0.2120 0.4919 ( 3323 PWs) bands (ev): -47.4561 -47.4561 -22.3455 -22.3453 -19.5159 -19.5096 -19.3453 -19.3445 -19.3243 -19.3191 -17.6634 -17.6634 -7.6827 -7.6823 -4.8005 -4.7953 -4.4435 -4.4432 -3.9811 -3.9743 -0.2874 -0.2853 1.1229 1.1251 1.9410 1.9412 4.6530 4.6547 10.5427 10.5434 12.1827 12.1846 12.6412 12.6455 k =-0.2514 0.2168 0.5031 ( 3319 PWs) bands (ev): -47.4561 -47.4561 -22.3442 -22.3439 -19.5162 -19.5099 -19.3457 -19.3450 -19.3246 -19.3193 -17.6647 -17.6647 -7.6890 -7.6885 -4.8015 -4.7964 -4.4383 -4.4379 -3.9832 -3.9765 -0.2831 -0.2810 1.1319 1.1342 1.9452 1.9453 4.6612 4.6629 10.6078 10.6087 12.1479 12.1497 12.5853 12.5896 k =-0.2570 0.2216 0.5143 ( 3317 PWs) bands (ev): -47.4561 -47.4561 -22.3430 -22.3427 -19.5165 -19.5103 -19.3461 -19.3455 -19.3249 -19.3195 -17.6659 -17.6659 -7.6956 -7.6951 -4.8012 -4.7962 -4.4332 -4.4328 -3.9855 -3.9790 -0.2777 -0.2756 1.1409 1.1432 1.9490 1.9490 4.6708 4.6725 10.6703 10.6715 12.1120 12.1136 12.5324 12.5366 k =-0.2625 0.2265 0.5255 ( 3325 PWs) bands (ev): -47.4561 -47.4561 -22.3418 -22.3415 -19.5169 -19.5107 -19.3465 -19.3461 -19.3253 -19.3198 -17.6671 -17.6671 -7.7024 -7.7020 -4.7996 -4.7948 -4.4282 -4.4279 -3.9881 -3.9817 -0.2713 -0.2692 1.1498 1.1521 1.9523 1.9524 4.6818 4.6835 10.7300 10.7314 12.0749 12.0763 12.4826 12.4867 k =-0.2681 0.2313 0.5366 ( 3329 PWs) bands (ev): -47.4561 -47.4561 -22.3407 -22.3404 -19.5173 -19.5111 -19.3470 -19.3467 -19.3257 -19.3200 -17.6683 -17.6683 -7.7096 -7.7091 -4.7967 -4.7919 -4.4234 -4.4230 -3.9910 -3.9847 -0.2639 -0.2617 1.1586 1.1610 1.9552 1.9554 4.6943 4.6960 10.7863 10.7880 12.0366 12.0377 12.4360 12.4399 k =-0.2737 0.2361 0.5478 ( 3325 PWs) bands (ev): -47.4561 -47.4561 -22.3397 -22.3394 -19.5177 -19.5115 -19.3474 -19.3474 -19.3260 -19.3203 -17.6694 -17.6694 -7.7170 -7.7164 -4.7924 -4.7878 -4.4187 -4.4183 -3.9940 -3.9879 -0.2554 -0.2531 1.1675 1.1699 1.9578 1.9580 4.7081 4.7098 10.8390 10.8409 11.9970 11.9978 12.3926 12.3964 k =-0.2793 0.2409 0.5590 ( 3321 PWs) bands (ev): -47.4561 -47.4561 -22.3388 -22.3385 -19.5180 -19.5120 -19.3480 -19.3478 -19.3264 -19.3205 -17.6705 -17.6704 -7.7246 -7.7240 -4.7868 -4.7823 -4.4142 -4.4138 -3.9973 -3.9913 -0.2459 -0.2436 1.1762 1.1786 1.9600 1.9603 4.7233 4.7250 10.8875 10.8897 11.9563 11.9567 12.3523 12.3560 k =-0.2849 0.2457 0.5702 ( 3325 PWs) bands (ev): -47.4561 -47.4561 -22.3379 -22.3376 -19.5185 -19.5125 -19.3487 -19.3483 -19.3268 -19.3207 -17.6715 -17.6714 -7.7325 -7.7319 -4.7800 -4.7756 -4.4098 -4.4093 -4.0008 -3.9950 -0.2354 -0.2331 1.1848 1.1873 1.9619 1.9623 4.7397 4.7414 10.9315 10.9339 11.9145 11.9145 12.3151 12.3186 k =-0.2905 0.2506 0.5814 ( 3329 PWs) bands (ev): -47.4561 -47.4561 -22.3371 -22.3368 -19.5189 -19.5130 -19.3495 -19.3488 -19.3271 -19.3209 -17.6724 -17.6724 -7.7405 -7.7399 -4.7720 -4.7677 -4.4055 -4.4051 -4.0045 -3.9988 -0.2240 -0.2216 1.1933 1.1958 1.9635 1.9639 4.7574 4.7591 10.9705 10.9733 11.8715 11.8718 12.2807 12.2839 k =-0.2961 0.2554 0.5925 ( 3331 PWs) bands (ev): -47.4562 -47.4562 -22.3364 -22.3361 -19.5193 -19.5135 -19.3502 -19.3493 -19.3275 -19.3211 -17.6733 -17.6733 -7.7487 -7.7481 -4.7628 -4.7585 -4.4014 -4.4010 -4.0085 -4.0029 -0.2116 -0.2092 1.2017 1.2042 1.9647 1.9652 4.7764 4.7780 11.0042 11.0072 11.8277 11.8284 12.2488 12.2518 k =-0.3016 0.2602 0.6037 ( 3323 PWs) bands (ev): -47.4562 -47.4562 -22.3358 -22.3355 -19.5197 -19.5141 -19.3510 -19.3498 -19.3278 -19.3213 -17.6741 -17.6741 -7.7572 -7.7565 -4.7523 -4.7482 -4.3975 -4.3970 -4.0126 -4.0071 -0.1984 -0.1960 1.2100 1.2126 1.9657 1.9662 4.7965 4.7981 11.0323 11.0356 11.7835 11.7845 12.2191 12.2219 k =-0.3072 0.2650 0.6149 ( 3331 PWs) bands (ev): -47.4562 -47.4562 -22.3352 -22.3349 -19.5202 -19.5147 -19.3518 -19.3504 -19.3281 -19.3215 -17.6749 -17.6749 -7.7657 -7.7651 -4.7408 -4.7367 -4.3937 -4.3932 -4.0169 -4.0115 -0.1844 -0.1819 1.2182 1.2207 1.9663 1.9669 4.8176 4.8193 11.0545 11.0580 11.7391 11.7403 12.1911 12.1937 k =-0.3128 0.2698 0.6261 ( 3335 PWs) bands (ev): -47.4562 -47.4562 -22.3348 -22.3345 -19.5207 -19.5153 -19.3527 -19.3511 -19.3284 -19.3217 -17.6756 -17.6756 -7.7744 -7.7738 -4.7282 -4.7242 -4.3900 -4.3895 -4.0213 -4.0161 -0.1695 -0.1671 1.2261 1.2287 1.9667 1.9674 4.8399 4.8415 11.0706 11.0743 11.6945 11.6960 12.1646 12.1670 k =-0.3184 0.2747 0.6373 ( 3331 PWs) bands (ev): -47.4563 -47.4563 -22.3343 -22.3340 -19.5212 -19.5159 -19.3535 -19.3517 -19.3285 -19.3218 -17.6763 -17.6763 -7.7832 -7.7825 -4.7145 -4.7106 -4.3865 -4.3860 -4.0259 -4.0208 -0.1539 -0.1514 1.2340 1.2365 1.9668 1.9675 4.8631 4.8646 11.0806 11.0844 11.6499 11.6516 12.1392 12.1414 k =-0.3240 0.2795 0.6484 ( 3335 PWs) bands (ev): -47.4563 -47.4563 -22.3340 -22.3337 -19.5217 -19.5166 -19.3544 -19.3524 -19.3287 -19.3219 -17.6769 -17.6769 -7.7921 -7.7914 -4.6999 -4.6961 -4.3831 -4.3826 -4.0307 -4.0257 -0.1377 -0.1352 1.2416 1.2442 1.9667 1.9675 4.8871 4.8887 11.0845 11.0883 11.6052 11.6070 12.1146 12.1166 k =-0.3296 0.2843 0.6596 ( 3331 PWs) bands (ev): -47.4563 -47.4563 -22.3337 -22.3334 -19.5223 -19.5172 -19.3552 -19.3530 -19.3288 -19.3220 -17.6775 -17.6775 -7.8010 -7.8003 -4.6844 -4.6807 -4.3799 -4.3794 -4.0356 -4.0306 -0.1207 -0.1182 1.2491 1.2516 1.9664 1.9672 4.9120 4.9136 11.0825 11.0864 11.5604 11.5623 12.0906 12.0924 k =-0.3352 0.2891 0.6708 ( 3335 PWs) bands (ev): -47.4564 -47.4564 -22.3335 -22.3332 -19.5228 -19.5180 -19.3562 -19.3538 -19.3289 -19.3220 -17.6780 -17.6780 -7.8100 -7.8093 -4.6681 -4.6644 -4.3768 -4.3763 -4.0405 -4.0357 -0.1032 -0.1007 1.2564 1.2589 1.9659 1.9667 4.9376 4.9391 11.0750 11.0788 11.5152 11.5171 12.0671 12.0687 k =-0.3407 0.2939 0.6820 ( 3325 PWs) bands (ev): -47.4564 -47.4564 -22.3333 -22.3330 -19.5233 -19.5186 -19.3570 -19.3545 -19.3289 -19.3221 -17.6785 -17.6785 -7.8189 -7.8182 -4.6510 -4.6474 -4.3738 -4.3734 -4.0456 -4.0409 -0.0852 -0.0827 1.2635 1.2660 1.9651 1.9660 4.9639 4.9654 11.0625 11.0661 11.4694 11.4712 12.0439 12.0453 k =-0.3463 0.2987 0.6931 ( 3321 PWs) bands (ev): -47.4564 -47.4564 -22.3332 -22.3329 -19.5239 -19.5194 -19.3578 -19.3552 -19.3289 -19.3221 -17.6789 -17.6789 -7.8279 -7.8272 -4.6332 -4.6297 -4.3711 -4.3706 -4.0507 -4.0461 -0.0667 -0.0642 1.2703 1.2729 1.9642 1.9651 4.9907 4.9922 11.0453 11.0488 11.4227 11.4244 12.0211 12.0223 k =-0.3519 0.3036 0.7043 ( 3309 PWs) bands (ev): -47.4565 -47.4565 -22.3332 -22.3329 -19.5245 -19.5201 -19.3586 -19.3559 -19.3288 -19.3220 -17.6793 -17.6793 -7.8367 -7.8360 -4.6148 -4.6114 -4.3684 -4.3679 -4.0559 -4.0514 -0.0478 -0.0453 1.2770 1.2796 1.9632 1.9640 5.0180 5.0194 11.0242 11.0274 11.3749 11.3764 11.9987 11.9997 k =-0.3519 0.3036 0.7043 ( 3309 PWs) bands (ev): -47.4565 -47.4565 -22.3332 -22.3329 -19.5245 -19.5201 -19.3586 -19.3559 -19.3288 -19.3220 -17.6793 -17.6793 -7.8367 -7.8360 -4.6148 -4.6114 -4.3684 -4.3679 -4.0559 -4.0514 -0.0478 -0.0453 1.2770 1.2796 1.9632 1.9640 5.0180 5.0194 11.0242 11.0274 11.3749 11.3764 11.9987 11.9997 k =-0.3440 0.2967 0.7113 ( 3314 PWs) bands (ev): -47.4565 -47.4565 -22.3332 -22.3329 -19.5245 -19.5201 -19.3587 -19.3560 -19.3288 -19.3220 -17.6793 -17.6793 -7.8363 -7.8356 -4.6148 -4.6114 -4.3689 -4.3684 -4.0556 -4.0511 -0.0484 -0.0458 1.2754 1.2781 1.9637 1.9649 5.0182 5.0196 11.0221 11.0253 11.3754 11.3769 11.9993 12.0004 k =-0.3360 0.2898 0.7182 ( 3320 PWs) bands (ev): -47.4565 -47.4565 -22.3332 -22.3329 -19.5246 -19.5202 -19.3588 -19.3560 -19.3288 -19.3220 -17.6793 -17.6793 -7.8348 -7.8342 -4.6148 -4.6113 -4.3705 -4.3698 -4.0546 -4.0501 -0.0500 -0.0474 1.2707 1.2736 1.9655 1.9674 5.0186 5.0200 11.0159 11.0190 11.3770 11.3787 12.0012 12.0023 k =-0.3360 0.2898 0.7182 ( 3320 PWs) bands (ev): -47.4565 -47.4565 -22.3332 -22.3329 -19.5246 -19.5202 -19.3588 -19.3560 -19.3288 -19.3220 -17.6793 -17.6793 -7.8348 -7.8342 -4.6148 -4.6113 -4.3705 -4.3698 -4.0546 -4.0501 -0.0500 -0.0474 1.2707 1.2736 1.9655 1.9674 5.0186 5.0200 11.0159 11.0190 11.3770 11.3787 12.0012 12.0023 k =-0.3258 0.2810 0.7182 ( 3320 PWs) bands (ev): -47.4564 -47.4564 -22.3333 -22.3330 -19.5243 -19.5198 -19.3584 -19.3556 -19.3288 -19.3220 -17.6791 -17.6790 -7.8279 -7.8272 -4.6249 -4.6214 -4.3740 -4.3732 -4.0504 -4.0458 -0.0628 -0.0602 1.2606 1.2639 1.9687 1.9712 5.0042 5.0056 11.0193 11.0225 11.4077 11.4095 12.0163 12.0176 k =-0.3156 0.2723 0.7182 ( 3318 PWs) bands (ev): -47.4564 -47.4564 -22.3333 -22.3330 -19.5240 -19.5194 -19.3580 -19.3553 -19.3288 -19.3220 -17.6787 -17.6786 -7.8202 -7.8195 -4.6348 -4.6314 -4.3782 -4.3772 -4.0458 -4.0411 -0.0764 -0.0737 1.2486 1.2522 1.9727 1.9758 4.9902 4.9916 11.0193 11.0224 11.4407 11.4426 12.0324 12.0339 k =-0.3054 0.2635 0.7182 ( 3320 PWs) bands (ev): -47.4564 -47.4564 -22.3334 -22.3331 -19.5238 -19.5192 -19.3577 -19.3550 -19.3288 -19.3219 -17.6782 -17.6781 -7.8119 -7.8112 -4.6446 -4.6412 -4.3830 -4.3818 -4.0409 -4.0362 -0.0907 -0.0880 1.2348 1.2388 1.9773 1.9809 4.9768 4.9782 11.0163 11.0194 11.4761 11.4780 12.0496 12.0513 k =-0.2953 0.2547 0.7182 ( 3318 PWs) bands (ev): -47.4564 -47.4564 -22.3335 -22.3332 -19.5236 -19.5190 -19.3575 -19.3548 -19.3287 -19.3218 -17.6777 -17.6775 -7.8029 -7.8022 -4.6542 -4.6509 -4.3882 -4.3869 -4.0357 -4.0309 -0.1057 -0.1029 1.2196 1.2239 1.9824 1.9864 4.9639 4.9653 11.0111 11.0141 11.5139 11.5158 12.0678 12.0696 k =-0.2851 0.2459 0.7182 ( 3310 PWs) bands (ev): -47.4564 -47.4564 -22.3336 -22.3333 -19.5235 -19.5188 -19.3573 -19.3547 -19.3286 -19.3218 -17.6770 -17.6768 -7.7934 -7.7927 -4.6638 -4.6605 -4.3937 -4.3923 -4.0303 -4.0255 -0.1212 -0.1185 1.2032 1.2078 1.9879 1.9923 4.9516 4.9530 11.0043 11.0072 11.5536 11.5555 12.0868 12.0889 k =-0.2749 0.2371 0.7182 ( 3310 PWs) bands (ev): -47.4563 -47.4563 -22.3337 -22.3334 -19.5234 -19.5188 -19.3572 -19.3546 -19.3285 -19.3217 -17.6762 -17.6760 -7.7833 -7.7826 -4.6733 -4.6701 -4.3995 -4.3980 -4.0247 -4.0199 -0.1374 -0.1346 1.1857 1.1905 1.9937 1.9983 4.9398 4.9412 10.9963 10.9991 11.5950 11.5969 12.1066 12.1088 k =-0.2647 0.2283 0.7182 ( 3307 PWs) bands (ev): -47.4563 -47.4563 -22.3337 -22.3334 -19.5234 -19.5188 -19.3572 -19.3547 -19.3284 -19.3216 -17.6753 -17.6751 -7.7727 -7.7721 -4.6827 -4.6796 -4.4055 -4.4038 -4.0190 -4.0142 -0.1540 -0.1512 1.1674 1.1724 1.9996 2.0045 4.9288 4.9302 10.9877 10.9903 11.6377 11.6395 12.1271 12.1294 k =-0.2545 0.2196 0.7182 ( 3313 PWs) bands (ev): -47.4563 -47.4563 -22.3338 -22.3335 -19.5235 -19.5190 -19.3574 -19.3549 -19.3283 -19.3216 -17.6742 -17.6740 -7.7617 -7.7611 -4.6922 -4.6892 -4.4114 -4.4097 -4.0133 -4.0084 -0.1711 -0.1682 1.1484 1.1535 2.0056 2.0106 4.9183 4.9197 10.9787 10.9811 11.6811 11.6830 12.1480 12.1505 k =-0.2444 0.2108 0.7182 ( 3312 PWs) bands (ev): -47.4563 -47.4563 -22.3338 -22.3336 -19.5236 -19.5192 -19.3576 -19.3551 -19.3281 -19.3215 -17.6730 -17.6728 -7.7503 -7.7497 -4.7018 -4.6989 -4.4173 -4.4154 -4.0076 -4.0027 -0.1885 -0.1856 1.1289 1.1341 2.0116 2.0167 4.9085 4.9099 10.9695 10.9719 11.7251 11.7270 12.1694 12.1720 k =-0.2342 0.2020 0.7182 ( 3312 PWs) bands (ev): -47.4563 -47.4563 -22.3338 -22.3336 -19.5238 -19.5195 -19.3579 -19.3554 -19.3280 -19.3215 -17.6716 -17.6714 -7.7386 -7.7380 -4.7114 -4.7086 -4.4229 -4.4210 -4.0019 -3.9970 -0.2061 -0.2032 1.1091 1.1143 2.0175 2.0227 4.8993 4.9007 10.9605 10.9627 11.7692 11.7712 12.1910 12.1937 k =-0.2240 0.1932 0.7182 ( 3310 PWs) bands (ev): -47.4563 -47.4563 -22.3338 -22.3336 -19.5240 -19.5199 -19.3583 -19.3559 -19.3278 -19.3215 -17.6702 -17.6699 -7.7267 -7.7261 -4.7212 -4.7185 -4.4283 -4.4262 -3.9963 -3.9915 -0.2239 -0.2209 1.0890 1.0943 2.0234 2.0285 4.8909 4.8922 10.9518 10.9538 11.8132 11.8152 12.2128 12.2156 k =-0.2138 0.1844 0.7182 ( 3314 PWs) bands (ev): -47.4562 -47.4562 -22.3338 -22.3336 -19.5243 -19.5204 -19.3588 -19.3564 -19.3276 -19.3215 -17.6685 -17.6683 -7.7145 -7.7140 -4.7312 -4.7286 -4.4333 -4.4312 -3.9908 -3.9861 -0.2416 -0.2387 1.0688 1.0740 2.0290 2.0341 4.8831 4.8844 10.9433 10.9453 11.8566 11.8588 12.2347 12.2374 k =-0.2036 0.1757 0.7182 ( 3317 PWs) bands (ev): -47.4562 -47.4562 -22.3338 -22.3335 -19.5247 -19.5209 -19.3593 -19.3570 -19.3274 -19.3215 -17.6668 -17.6665 -7.7023 -7.7018 -4.7413 -4.7389 -4.4378 -4.4356 -3.9856 -3.9808 -0.2593 -0.2563 1.0485 1.0538 2.0345 2.0395 4.8759 4.8772 10.9353 10.9371 11.8992 11.9016 12.2566 12.2592 k =-0.1934 0.1669 0.7182 ( 3313 PWs) bands (ev): -47.4562 -47.4562 -22.3337 -22.3335 -19.5251 -19.5215 -19.3599 -19.3577 -19.3272 -19.3215 -17.6650 -17.6647 -7.6899 -7.6895 -4.7516 -4.7493 -4.4418 -4.4395 -3.9805 -3.9759 -0.2767 -0.2738 1.0284 1.0336 2.0398 2.0447 4.8694 4.8706 10.9277 10.9294 11.9407 11.9433 12.2784 12.2810 k =-0.1833 0.1581 0.7182 ( 3307 PWs) bands (ev): -47.4562 -47.4562 -22.3336 -22.3334 -19.5256 -19.5222 -19.3606 -19.3584 -19.3269 -19.3215 -17.6631 -17.6628 -7.6776 -7.6772 -4.7621 -4.7599 -4.4452 -4.4428 -3.9757 -3.9711 -0.2939 -0.2909 1.0085 1.0136 2.0449 2.0497 4.8634 4.8646 10.9206 10.9222 11.9808 11.9836 12.3003 12.3027 k =-0.1731 0.1493 0.7182 ( 3311 PWs) bands (ev): -47.4562 -47.4562 -22.3335 -22.3333 -19.5261 -19.5230 -19.3613 -19.3592 -19.3267 -19.3216 -17.6611 -17.6608 -7.6654 -7.6650 -4.7727 -4.7707 -4.4480 -4.4456 -3.9712 -3.9667 -0.3106 -0.3077 0.9889 0.9938 2.0498 2.0544 4.8581 4.8593 10.9140 10.9155 12.0191 12.0221 12.3222 12.3246 k =-0.1629 0.1405 0.7182 ( 3316 PWs) bands (ev): -47.4562 -47.4562 -22.3334 -22.3332 -19.5267 -19.5238 -19.3621 -19.3601 -19.3265 -19.3217 -17.6591 -17.6588 -7.6534 -7.6530 -4.7834 -4.7815 -4.4502 -4.4478 -3.9669 -3.9626 -0.3268 -0.3240 0.9697 0.9744 2.0543 2.0588 4.8533 4.8544 10.9078 10.9093 12.0553 12.0586 12.3444 12.3466 k =-0.1527 0.1317 0.7182 ( 3318 PWs) bands (ev): -47.4562 -47.4562 -22.3333 -22.3331 -19.5273 -19.5246 -19.3629 -19.3609 -19.3263 -19.3218 -17.6570 -17.6567 -7.6416 -7.6412 -4.7940 -4.7923 -4.4518 -4.4494 -3.9630 -3.9588 -0.3424 -0.3396 0.9510 0.9556 2.0587 2.0629 4.8491 4.8501 10.9022 10.9035 12.0891 12.0926 12.3670 12.3691 k =-0.1425 0.1230 0.7182 ( 3320 PWs) bands (ev): -47.4562 -47.4562 -22.3331 -22.3330 -19.5279 -19.5254 -19.3637 -19.3618 -19.3261 -19.3219 -17.6549 -17.6546 -7.6301 -7.6297 -4.8046 -4.8030 -4.4529 -4.4505 -3.9595 -3.9554 -0.3573 -0.3546 0.9329 0.9373 2.0628 2.0668 4.8453 4.8464 10.8970 10.8983 12.1201 12.1239 12.3902 12.3923 k =-0.1324 0.1142 0.7182 ( 3320 PWs) bands (ev): -47.4562 -47.4562 -22.3330 -22.3328 -19.5286 -19.5263 -19.3644 -19.3627 -19.3259 -19.3220 -17.6528 -17.6526 -7.6190 -7.6186 -4.8151 -4.8136 -4.4534 -4.4510 -3.9562 -3.9523 -0.3714 -0.3688 0.9155 0.9197 2.0666 2.0704 4.8421 4.8430 10.8923 10.8935 12.1481 12.1521 12.4142 12.4162 k =-0.1222 0.1054 0.7182 ( 3324 PWs) bands (ev): -47.4562 -47.4562 -22.3328 -22.3327 -19.5293 -19.5272 -19.3652 -19.3636 -19.3257 -19.3221 -17.6508 -17.6505 -7.6083 -7.6080 -4.8253 -4.8240 -4.4534 -4.4512 -3.9533 -3.9496 -0.3847 -0.3823 0.8989 0.9029 2.0702 2.0737 4.8392 4.8401 10.8881 10.8891 12.1729 12.1770 12.4389 12.4409 k =-0.1120 0.0966 0.7182 ( 3324 PWs) bands (ev): -47.4562 -47.4562 -22.3327 -22.3325 -19.5299 -19.5281 -19.3660 -19.3645 -19.3255 -19.3222 -17.6488 -17.6486 -7.5982 -7.5979 -4.8352 -4.8340 -4.4531 -4.4509 -3.9508 -3.9473 -0.3971 -0.3948 0.8832 0.8869 2.0735 2.0768 4.8368 4.8376 10.8842 10.8852 12.1945 12.1986 12.4644 12.4663 k =-0.1018 0.0878 0.7182 ( 3328 PWs) bands (ev): -47.4561 -47.4561 -22.3325 -22.3324 -19.5306 -19.5289 -19.3667 -19.3653 -19.3253 -19.3224 -17.6469 -17.6467 -7.5886 -7.5884 -4.8446 -4.8435 -4.4524 -4.4503 -3.9485 -3.9453 -0.4085 -0.4064 0.8685 0.8719 2.0765 2.0795 4.8347 4.8354 10.8808 10.8817 12.2130 12.2170 12.4902 12.4921 k =-0.0916 0.0790 0.7182 ( 3330 PWs) bands (ev): -47.4561 -47.4561 -22.3323 -22.3322 -19.5312 -19.5297 -19.3674 -19.3662 -19.3251 -19.3225 -17.6451 -17.6449 -7.5798 -7.5796 -4.8535 -4.8525 -4.4514 -4.4495 -3.9466 -3.9436 -0.4190 -0.4170 0.8549 0.8580 2.0793 2.0820 4.8329 4.8336 10.8778 10.8785 12.2287 12.2324 12.5161 12.5179 k =-0.0815 0.0703 0.7182 ( 3329 PWs) bands (ev): -47.4561 -47.4561 -22.3322 -22.3321 -19.5318 -19.5305 -19.3680 -19.3669 -19.3250 -19.3226 -17.6435 -17.6433 -7.5717 -7.5715 -4.8617 -4.8609 -4.4503 -4.4485 -3.9449 -3.9422 -0.4283 -0.4265 0.8425 0.8453 2.0818 2.0842 4.8314 4.8321 10.8751 10.8758 12.2417 12.2452 12.5415 12.5432 k =-0.0713 0.0615 0.7182 ( 3328 PWs) bands (ev): -47.4561 -47.4561 -22.3320 -22.3319 -19.5323 -19.5312 -19.3686 -19.3676 -19.3248 -19.3228 -17.6419 -17.6418 -7.5644 -7.5642 -4.8692 -4.8685 -4.4491 -4.4475 -3.9435 -3.9411 -0.4366 -0.4350 0.8313 0.8338 2.0840 2.0862 4.8302 4.8308 10.8728 10.8734 12.2524 12.2556 12.5658 12.5673 k =-0.0611 0.0527 0.7182 ( 3328 PWs) bands (ev): -47.4561 -47.4561 -22.3319 -22.3318 -19.5328 -19.5318 -19.3691 -19.3682 -19.3246 -19.3229 -17.6406 -17.6404 -7.5579 -7.5578 -4.8759 -4.8753 -4.4478 -4.4464 -3.9423 -3.9402 -0.4438 -0.4424 0.8215 0.8237 2.0860 2.0878 4.8292 4.8297 10.8709 10.8714 12.2611 12.2639 12.5884 12.5898 k =-0.0509 0.0439 0.7182 ( 3324 PWs) bands (ev): -47.4561 -47.4561 -22.3318 -22.3317 -19.5332 -19.5324 -19.3695 -19.3687 -19.3244 -19.3230 -17.6394 -17.6393 -7.5523 -7.5522 -4.8817 -4.8812 -4.4466 -4.4453 -3.9413 -3.9395 -0.4499 -0.4487 0.8131 0.8149 2.0877 2.0892 4.8284 4.8288 10.8692 10.8697 12.2681 12.2705 12.6088 12.6100 k =-0.0407 0.0351 0.7182 ( 3324 PWs) bands (ev): -47.4561 -47.4561 -22.3317 -22.3316 -19.5335 -19.5329 -19.3698 -19.3692 -19.3243 -19.3231 -17.6384 -17.6383 -7.5477 -7.5476 -4.8865 -4.8861 -4.4455 -4.4445 -3.9405 -3.9391 -0.4549 -0.4540 0.8062 0.8076 2.0891 2.0903 4.8278 4.8282 10.8679 10.8683 12.2736 12.2755 12.6264 12.6273 k =-0.0305 0.0263 0.7182 ( 3326 PWs) bands (ev): -47.4561 -47.4561 -22.3316 -22.3315 -19.5338 -19.5333 -19.3701 -19.3696 -19.3241 -19.3233 -17.6376 -17.6375 -7.5441 -7.5440 -4.8903 -4.8900 -4.4445 -4.4437 -3.9399 -3.9388 -0.4588 -0.4581 0.8008 0.8019 2.0902 2.0911 4.8274 4.8277 10.8670 10.8672 12.2777 12.2792 12.6407 12.6414 k =-0.0204 0.0176 0.7182 ( 3330 PWs) bands (ev): -47.4561 -47.4561 -22.3315 -22.3315 -19.5340 -19.5337 -19.3702 -19.3699 -19.3240 -19.3234 -17.6370 -17.6370 -7.5415 -7.5414 -4.8931 -4.8929 -4.4437 -4.4432 -3.9394 -3.9387 -0.4615 -0.4610 0.7969 0.7977 2.0910 2.0917 4.8271 4.8273 10.8663 10.8664 12.2806 12.2816 12.6512 12.6517 k =-0.0102 0.0088 0.7182 ( 3330 PWs) bands (ev): -47.4561 -47.4561 -22.3315 -22.3315 -19.5340 -19.5339 -19.3703 -19.3702 -19.3239 -19.3236 -17.6367 -17.6367 -7.5399 -7.5398 -4.8947 -4.8946 -4.4432 -4.4430 -3.9391 -3.9387 -0.4631 -0.4629 0.7947 0.7951 2.0916 2.0919 4.8270 4.8270 10.8659 10.8659 12.2825 12.2829 12.6577 12.6580 k = 0.0000 0.0000 0.7182 ( 3334 PWs) bands (ev): -47.4561 -47.4561 -22.3314 -22.3314 -19.5340 -19.5340 -19.3703 -19.3703 -19.3237 -19.3237 -17.6366 -17.6366 -7.5393 -7.5393 -4.8952 -4.8952 -4.4429 -4.4429 -3.9388 -3.9388 -0.4636 -0.4636 0.7941 0.7941 2.0919 2.0919 4.8269 4.8269 10.8658 10.8658 12.2832 12.2832 12.6600 12.6600 k = 0.0000 0.0000 0.7182 ( 3334 PWs) bands (ev): -47.4561 -47.4561 -22.3314 -22.3314 -19.5340 -19.5340 -19.3703 -19.3703 -19.3237 -19.3237 -17.6366 -17.6366 -7.5393 -7.5393 -4.8952 -4.8952 -4.4429 -4.4429 -3.9388 -3.9388 -0.4636 -0.4636 0.7941 0.7941 2.0919 2.0919 4.8269 4.8269 10.8658 10.8658 12.2832 12.2832 12.6600 12.6600 k = 0.0086 0.0100 0.7182 ( 3330 PWs) bands (ev): -47.4561 -47.4561 -22.3315 -22.3315 -19.5343 -19.5337 -19.3706 -19.3699 -19.3237 -19.3236 -17.6366 -17.6365 -7.5394 -7.5394 -4.8955 -4.8953 -4.4429 -4.4426 -3.9390 -3.9389 -0.4633 -0.4632 0.7941 0.7941 2.0919 2.0919 4.8268 4.8271 10.8665 10.8668 12.2832 12.2835 12.6580 12.6585 k = 0.0172 0.0200 0.7182 ( 3322 PWs) bands (ev): -47.4561 -47.4561 -22.3315 -22.3315 -19.5344 -19.5334 -19.3709 -19.3695 -19.3237 -19.3235 -17.6366 -17.6365 -7.5396 -7.5396 -4.8962 -4.8958 -4.4424 -4.4419 -3.9395 -3.9393 -0.4625 -0.4622 0.7941 0.7942 2.0921 2.0921 4.8266 4.8272 10.8691 10.8696 12.2835 12.2840 12.6526 12.6537 k = 0.0259 0.0300 0.7182 ( 3324 PWs) bands (ev): -47.4561 -47.4561 -22.3316 -22.3316 -19.5347 -19.5331 -19.3712 -19.3692 -19.3236 -19.3233 -17.6367 -17.6365 -7.5400 -7.5399 -4.8972 -4.8966 -4.4416 -4.4408 -3.9403 -3.9399 -0.4611 -0.4606 0.7942 0.7944 2.0923 2.0923 4.8264 4.8272 10.8734 10.8741 12.2840 12.2847 12.6439 12.6454 k = 0.0345 0.0400 0.7182 ( 3322 PWs) bands (ev): -47.4561 -47.4561 -22.3318 -22.3318 -19.5348 -19.5328 -19.3715 -19.3688 -19.3235 -19.3231 -17.6368 -17.6365 -7.5405 -7.5404 -4.8985 -4.8978 -4.4405 -4.4394 -3.9413 -3.9409 -0.4591 -0.4585 0.7943 0.7945 2.0925 2.0925 4.8262 4.8272 10.8796 10.8805 12.2848 12.2857 12.6319 12.6339 k = 0.0431 0.0500 0.7182 ( 3322 PWs) bands (ev): -47.4561 -47.4561 -22.3319 -22.3319 -19.5350 -19.5324 -19.3718 -19.3684 -19.3233 -19.3228 -17.6368 -17.6365 -7.5411 -7.5410 -4.9002 -4.8993 -4.4390 -4.4377 -3.9426 -3.9421 -0.4566 -0.4558 0.7945 0.7948 2.0929 2.0929 4.8259 4.8272 10.8874 10.8885 12.2858 12.2870 12.6167 12.6192 k = 0.0517 0.0600 0.7182 ( 3322 PWs) bands (ev): -47.4561 -47.4561 -22.3321 -22.3321 -19.5351 -19.5320 -19.3720 -19.3680 -19.3231 -19.3225 -17.6369 -17.6365 -7.5419 -7.5417 -4.9022 -4.9011 -4.4371 -4.4356 -3.9442 -3.9435 -0.4535 -0.4527 0.7947 0.7950 2.0933 2.0933 4.8257 4.8272 10.8970 10.8983 12.2870 12.2884 12.5985 12.6014 k = 0.0603 0.0700 0.7182 ( 3322 PWs) bands (ev): -47.4561 -47.4561 -22.3324 -22.3324 -19.5352 -19.5317 -19.3723 -19.3676 -19.3228 -19.3221 -17.6370 -17.6366 -7.5427 -7.5426 -4.9044 -4.9032 -4.4350 -4.4333 -3.9459 -3.9452 -0.4500 -0.4490 0.7950 0.7953 2.0937 2.0938 4.8253 4.8271 10.9083 10.9098 12.2885 12.2901 12.5775 12.5809 k = 0.0690 0.0800 0.7182 ( 3320 PWs) bands (ev): -47.4561 -47.4561 -22.3326 -22.3326 -19.5353 -19.5312 -19.3725 -19.3672 -19.3225 -19.3217 -17.6371 -17.6366 -7.5437 -7.5435 -4.9069 -4.9055 -4.4327 -4.4307 -3.9479 -3.9471 -0.4461 -0.4449 0.7953 0.7957 2.0943 2.0943 4.8250 4.8270 10.9212 10.9230 12.2901 12.2920 12.5539 12.5576 k = 0.0776 0.0899 0.7182 ( 3330 PWs) bands (ev): -47.4561 -47.4561 -22.3329 -22.3329 -19.5354 -19.5309 -19.3728 -19.3668 -19.3223 -19.3213 -17.6372 -17.6367 -7.5447 -7.5446 -4.9096 -4.9080 -4.4301 -4.4280 -3.9501 -3.9492 -0.4417 -0.4405 0.7956 0.7960 2.0948 2.0948 4.8247 4.8269 10.9357 10.9377 12.2919 12.2940 12.5279 12.5320 k = 0.0862 0.0999 0.7182 ( 3326 PWs) bands (ev): -47.4561 -47.4561 -22.3332 -22.3332 -19.5354 -19.5305 -19.3730 -19.3664 -19.3219 -19.3208 -17.6373 -17.6367 -7.5459 -7.5457 -4.9124 -4.9107 -4.4274 -4.4250 -3.9524 -3.9514 -0.4371 -0.4357 0.7959 0.7964 2.0955 2.0955 4.8243 4.8268 10.9518 10.9540 12.2940 12.2963 12.4997 12.5041 k = 0.0948 0.1099 0.7182 ( 3324 PWs) bands (ev): -47.4561 -47.4561 -22.3336 -22.3336 -19.5355 -19.5300 -19.3732 -19.3660 -19.3215 -19.3203 -17.6374 -17.6368 -7.5471 -7.5469 -4.9153 -4.9135 -4.4245 -4.4220 -3.9548 -3.9537 -0.4322 -0.4307 0.7963 0.7968 2.0961 2.0962 4.8240 4.8266 10.9694 10.9718 12.2961 12.2986 12.4695 12.4742 k = 0.1034 0.1199 0.7182 ( 3328 PWs) bands (ev): -47.4561 -47.4561 -22.3339 -22.3339 -19.5355 -19.5296 -19.3734 -19.3656 -19.3211 -19.3198 -17.6375 -17.6368 -7.5483 -7.5481 -4.9184 -4.9165 -4.4215 -4.4188 -3.9573 -3.9562 -0.4271 -0.4255 0.7967 0.7973 2.0968 2.0969 4.8236 4.8265 10.9885 10.9910 12.2984 12.3011 12.4375 12.4425 k = 0.1121 0.1299 0.7182 ( 3332 PWs) bands (ev): -47.4561 -47.4561 -22.3343 -22.3343 -19.5355 -19.5292 -19.3736 -19.3652 -19.3207 -19.3193 -17.6377 -17.6369 -7.5496 -7.5494 -4.9215 -4.9195 -4.4185 -4.4156 -3.9599 -3.9587 -0.4218 -0.4201 0.7971 0.7977 2.0976 2.0976 4.8232 4.8262 11.0088 11.0116 12.3008 12.3037 12.4041 12.4093 k = 0.1207 0.1399 0.7182 ( 3328 PWs) bands (ev): -47.4561 -47.4561 -22.3346 -22.3346 -19.5355 -19.5288 -19.3738 -19.3648 -19.3202 -19.3187 -17.6378 -17.6370 -7.5510 -7.5507 -4.9246 -4.9225 -4.4154 -4.4124 -3.9625 -3.9612 -0.4164 -0.4146 0.7975 0.7982 2.0984 2.0984 4.8228 4.8261 11.0305 11.0334 12.3033 12.3064 12.3695 12.3749 k = 0.1293 0.1499 0.7182 ( 3324 PWs) bands (ev): -47.4561 -47.4561 -22.3350 -22.3350 -19.5355 -19.5284 -19.3739 -19.3645 -19.3197 -19.3181 -17.6379 -17.6370 -7.5523 -7.5520 -4.9276 -4.9255 -4.4124 -4.4092 -3.9651 -3.9637 -0.4111 -0.4091 0.7980 0.7986 2.0992 2.0992 4.8224 4.8259 11.0532 11.0563 12.3058 12.3091 12.3339 12.3395 k = 0.1379 0.1599 0.7182 ( 3314 PWs) bands (ev): -47.4561 -47.4561 -22.3353 -22.3353 -19.5354 -19.5280 -19.3740 -19.3641 -19.3192 -19.3175 -17.6380 -17.6371 -7.5536 -7.5533 -4.9307 -4.9284 -4.4093 -4.4060 -3.9677 -3.9662 -0.4057 -0.4037 0.7984 0.7991 2.1000 2.1000 4.8221 4.8257 11.0770 11.0803 12.2974 12.3034 12.3085 12.3118 k = 0.1466 0.1699 0.7182 ( 3312 PWs) bands (ev): -47.4561 -47.4561 -22.3357 -22.3357 -19.5354 -19.5276 -19.3741 -19.3637 -19.3187 -19.3170 -17.6381 -17.6372 -7.5549 -7.5546 -4.9336 -4.9312 -4.4064 -4.4030 -3.9702 -3.9687 -0.4005 -0.3984 0.7988 0.7995 2.1008 2.1008 4.8217 4.8255 11.1017 11.1051 12.2608 12.2668 12.3109 12.3145 k = 0.1552 0.1799 0.7182 ( 3314 PWs) bands (ev): -47.4561 -47.4561 -22.3360 -22.3360 -19.5353 -19.5272 -19.3743 -19.3634 -19.3183 -19.3165 -17.6382 -17.6372 -7.5561 -7.5559 -4.9364 -4.9340 -4.4036 -4.4001 -3.9727 -3.9711 -0.3954 -0.3932 0.7992 0.7999 2.1015 2.1016 4.8214 4.8253 11.1270 11.1305 12.2240 12.2301 12.3134 12.3171 k = 0.1638 0.1899 0.7182 ( 3312 PWs) bands (ev): -47.4561 -47.4561 -22.3364 -22.3364 -19.5353 -19.5269 -19.3744 -19.3631 -19.3179 -19.3160 -17.6383 -17.6373 -7.5573 -7.5571 -4.9390 -4.9366 -4.4010 -4.3973 -3.9750 -3.9734 -0.3906 -0.3883 0.7996 0.8004 2.1023 2.1023 4.8210 4.8251 11.1527 11.1564 12.1873 12.1935 12.3158 12.3197 k = 0.1724 0.1999 0.7182 ( 3316 PWs) bands (ev): -47.4561 -47.4561 -22.3367 -22.3367 -19.5353 -19.5266 -19.3745 -19.3629 -19.3175 -19.3156 -17.6384 -17.6374 -7.5585 -7.5582 -4.9415 -4.9390 -4.3985 -4.3948 -3.9772 -3.9756 -0.3860 -0.3837 0.7999 0.8007 2.1030 2.1030 4.8207 4.8249 11.1787 11.1825 12.1513 12.1576 12.3182 12.3221 k = 0.1810 0.2099 0.7182 ( 3318 PWs) bands (ev): -47.4561 -47.4561 -22.3370 -22.3370 -19.5352 -19.5263 -19.3746 -19.3626 -19.3172 -19.3151 -17.6385 -17.6374 -7.5595 -7.5592 -4.9438 -4.9413 -4.3962 -4.3924 -3.9793 -3.9776 -0.3818 -0.3794 0.8003 0.8011 2.1036 2.1036 4.8204 4.8248 11.2044 11.2084 12.1162 12.1226 12.3203 12.3244 k = 0.1897 0.2199 0.7182 ( 3318 PWs) bands (ev): -47.4561 -47.4561 -22.3372 -22.3372 -19.5352 -19.5261 -19.3747 -19.3624 -19.3168 -19.3147 -17.6386 -17.6375 -7.5605 -7.5602 -4.9459 -4.9433 -4.3941 -4.3903 -3.9811 -3.9794 -0.3779 -0.3755 0.8006 0.8014 2.1042 2.1042 4.8202 4.8246 11.2297 11.2337 12.0826 12.0890 12.3224 12.3265 k = 0.1983 0.2299 0.7182 ( 3320 PWs) bands (ev): -47.4561 -47.4561 -22.3375 -22.3375 -19.5352 -19.5258 -19.3748 -19.3622 -19.3165 -19.3144 -17.6387 -17.6376 -7.5614 -7.5610 -4.9477 -4.9451 -4.3923 -4.3884 -3.9828 -3.9810 -0.3745 -0.3720 0.8008 0.8017 2.1047 2.1048 4.8200 4.8244 11.2539 11.2580 12.0511 12.0575 12.3242 12.3284 k = 0.2069 0.2399 0.7182 ( 3320 PWs) bands (ev): -47.4561 -47.4561 -22.3377 -22.3377 -19.5351 -19.5256 -19.3748 -19.3621 -19.3163 -19.3141 -17.6387 -17.6376 -7.5621 -7.5618 -4.9493 -4.9466 -4.3907 -4.3868 -3.9842 -3.9824 -0.3715 -0.3690 0.8011 0.8019 2.1052 2.1053 4.8198 4.8243 11.2764 11.2806 12.0222 12.0287 12.3258 12.3300 k = 0.2155 0.2498 0.7182 ( 3318 PWs) bands (ev): -47.4561 -47.4561 -22.3378 -22.3378 -19.5351 -19.5255 -19.3749 -19.3619 -19.3160 -19.3138 -17.6388 -17.6376 -7.5627 -7.5624 -4.9506 -4.9479 -4.3894 -4.3854 -3.9854 -3.9836 -0.3691 -0.3665 0.8013 0.8021 2.1057 2.1057 4.8196 4.8242 11.2965 11.3008 11.9968 12.0034 12.3271 12.3314 k = 0.2241 0.2598 0.7182 ( 3318 PWs) bands (ev): -47.4561 -47.4561 -22.3380 -22.3380 -19.5351 -19.5254 -19.3749 -19.3618 -19.3158 -19.3136 -17.6388 -17.6377 -7.5632 -7.5629 -4.9516 -4.9489 -4.3884 -4.3843 -3.9863 -3.9845 -0.3671 -0.3646 0.8014 0.8023 2.1060 2.1060 4.8195 4.8241 11.3135 11.3178 11.9757 11.9823 12.3282 12.3325 k = 0.2328 0.2698 0.7182 ( 3316 PWs) bands (ev): -47.4561 -47.4561 -22.3381 -22.3381 -19.5351 -19.5252 -19.3750 -19.3617 -19.3157 -19.3134 -17.6388 -17.6377 -7.5636 -7.5632 -4.9523 -4.9497 -4.3876 -4.3836 -3.9870 -3.9851 -0.3657 -0.3631 0.8015 0.8024 2.1062 2.1062 4.8194 4.8241 11.3264 11.3307 11.9598 11.9665 12.3289 12.3334 k = 0.2414 0.2798 0.7182 ( 3318 PWs) bands (ev): -47.4561 -47.4561 -22.3381 -22.3381 -19.5351 -19.5252 -19.3750 -19.3617 -19.3156 -19.3133 -17.6389 -17.6377 -7.5638 -7.5635 -4.9528 -4.9501 -4.3872 -4.3831 -3.9874 -3.9855 -0.3649 -0.3623 0.8016 0.8025 2.1063 2.1064 4.8193 4.8240 11.3345 11.3389 11.9499 11.9566 12.3294 12.3338 k = 0.2500 0.2898 0.7182 ( 3320 PWs) bands (ev): -47.4561 -47.4561 -22.3381 -22.3381 -19.5351 -19.5252 -19.3750 -19.3617 -19.3156 -19.3133 -17.6389 -17.6377 -7.5639 -7.5635 -4.9529 -4.9502 -4.3870 -4.3830 -3.9875 -3.9857 -0.3646 -0.3620 0.8016 0.8025 2.1064 2.1064 4.8193 4.8240 11.3373 11.3417 11.9465 11.9532 12.3296 12.3340 k = 0.2500 0.2898 0.7182 ( 3320 PWs) bands (ev): -47.4561 -47.4561 -22.3381 -22.3381 -19.5351 -19.5252 -19.3750 -19.3617 -19.3156 -19.3133 -17.6389 -17.6377 -7.5639 -7.5635 -4.9529 -4.9502 -4.3870 -4.3830 -3.9875 -3.9857 -0.3646 -0.3620 0.8016 0.8025 2.1064 2.1064 4.8193 4.8240 11.3373 11.3417 11.9465 11.9532 12.3296 12.3340 k = 0.2417 0.2970 0.7109 ( 3320 PWs) bands (ev): -47.4561 -47.4561 -22.3382 -22.3382 -19.5350 -19.5251 -19.3749 -19.3616 -19.3156 -19.3133 -17.6389 -17.6378 -7.5643 -7.5640 -4.9523 -4.9496 -4.3876 -4.3835 -3.9874 -3.9855 -0.3645 -0.3619 0.8027 0.8036 2.1062 2.1062 4.8191 4.8238 11.3368 11.3411 11.9332 11.9395 12.3443 12.3483 k = 0.2333 0.3042 0.7037 ( 3318 PWs) bands (ev): -47.4561 -47.4561 -22.3383 -22.3383 -19.5348 -19.5250 -19.3747 -19.3615 -19.3156 -19.3133 -17.6392 -17.6380 -7.5656 -7.5653 -4.9504 -4.9477 -4.3893 -4.3852 -3.9869 -3.9849 -0.3642 -0.3617 0.8059 0.8068 2.1055 2.1057 4.8186 4.8233 11.3351 11.3394 11.8980 11.9034 12.3832 12.3863 k = 0.2250 0.3114 0.6964 ( 3324 PWs) bands (ev): -47.4561 -47.4561 -22.3385 -22.3385 -19.5345 -19.5247 -19.3744 -19.3613 -19.3156 -19.3133 -17.6395 -17.6384 -7.5678 -7.5675 -4.9473 -4.9446 -4.3921 -4.3880 -3.9861 -3.9840 -0.3638 -0.3612 0.8112 0.8121 2.1045 2.1047 4.8177 4.8224 11.3323 11.3366 11.8495 11.8540 12.4371 12.4392 k = 0.2167 0.3186 0.6892 ( 3324 PWs) bands (ev): -47.4561 -47.4561 -22.3387 -22.3387 -19.5340 -19.5243 -19.3740 -19.3609 -19.3155 -19.3133 -17.6400 -17.6389 -7.5708 -7.5705 -4.9430 -4.9403 -4.3959 -4.3917 -3.9851 -3.9829 -0.3631 -0.3607 0.8185 0.8194 2.1031 2.1033 4.8164 4.8211 11.3284 11.3327 11.7942 11.7980 12.4993 12.5005 k = 0.2083 0.3258 0.6819 ( 3324 PWs) bands (ev): -47.4561 -47.4561 -22.3390 -22.3390 -19.5334 -19.5238 -19.3734 -19.3605 -19.3155 -19.3132 -17.6407 -17.6396 -7.5746 -7.5743 -4.9376 -4.9348 -4.4006 -4.3963 -3.9839 -3.9815 -0.3623 -0.3599 0.8277 0.8286 2.1013 2.1016 4.8149 4.8195 11.3235 11.3277 11.7357 11.7390 12.5657 12.5663 k = 0.2000 0.3330 0.6746 ( 3326 PWs) bands (ev): -47.4561 -47.4561 -22.3394 -22.3394 -19.5326 -19.5232 -19.3727 -19.3599 -19.3154 -19.3132 -17.6414 -17.6403 -7.5791 -7.5788 -4.9311 -4.9283 -4.4060 -4.4017 -3.9826 -3.9801 -0.3613 -0.3589 0.8388 0.8397 2.0992 2.0995 4.8130 4.8176 11.3176 11.3217 11.6760 11.6789 12.6337 12.6344 k = 0.1917 0.3401 0.6674 ( 3320 PWs) bands (ev): -47.4561 -47.4561 -22.3398 -22.3398 -19.5318 -19.5225 -19.3718 -19.3593 -19.3153 -19.3131 -17.6423 -17.6412 -7.5843 -7.5840 -4.9236 -4.9209 -4.4120 -4.4076 -3.9814 -3.9787 -0.3600 -0.3577 0.8516 0.8525 2.0968 2.0972 4.8108 4.8153 11.3107 11.3147 11.6162 11.6188 12.7018 12.7030 k = 0.1833 0.3473 0.6601 ( 3318 PWs) bands (ev): -47.4561 -47.4561 -22.3403 -22.3403 -19.5308 -19.5217 -19.3709 -19.3585 -19.3152 -19.3130 -17.6433 -17.6423 -7.5902 -7.5899 -4.9154 -4.9126 -4.4184 -4.4139 -3.9802 -3.9775 -0.3585 -0.3563 0.8659 0.8669 2.0940 2.0945 4.8083 4.8127 11.3028 11.3068 11.5571 11.5595 12.7688 12.7707 k = 0.1750 0.3545 0.6529 ( 3316 PWs) bands (ev): -47.4561 -47.4561 -22.3408 -22.3408 -19.5298 -19.5209 -19.3698 -19.3578 -19.3151 -19.3129 -17.6444 -17.6434 -7.5966 -7.5963 -4.9064 -4.9036 -4.4250 -4.4205 -3.9793 -3.9764 -0.3567 -0.3547 0.8816 0.8826 2.0910 2.0915 4.8055 4.8098 11.2941 11.2980 11.4991 11.5013 12.8334 12.8359 k = 0.1667 0.3617 0.6456 ( 3314 PWs) bands (ev): -47.4561 -47.4561 -22.3414 -22.3414 -19.5287 -19.5201 -19.3687 -19.3569 -19.3150 -19.3128 -17.6456 -17.6446 -7.6034 -7.6031 -4.8968 -4.8940 -4.4317 -4.4271 -3.9787 -3.9757 -0.3547 -0.3528 0.8986 0.8996 2.0877 2.0883 4.8025 4.8067 11.2847 11.2884 11.4425 11.4445 12.8944 12.8976 k = 0.1583 0.3689 0.6383 ( 3316 PWs) bands (ev): -47.4561 -47.4561 -22.3420 -22.3420 -19.5275 -19.5192 -19.3675 -19.3560 -19.3149 -19.3127 -17.6469 -17.6459 -7.6106 -7.6104 -4.8868 -4.8840 -4.4383 -4.4336 -3.9785 -3.9754 -0.3525 -0.3507 0.9166 0.9176 2.0843 2.0848 4.7992 4.8033 11.2745 11.2781 11.3875 11.3895 12.9504 12.9542 k = 0.1500 0.3761 0.6311 ( 3318 PWs) bands (ev): -47.4561 -47.4561 -22.3426 -22.3426 -19.5263 -19.5183 -19.3662 -19.3551 -19.3148 -19.3125 -17.6482 -17.6473 -7.6182 -7.6179 -4.8766 -4.8737 -4.4446 -4.4398 -3.9786 -3.9755 -0.3501 -0.3483 0.9353 0.9364 2.0806 2.0812 4.7958 4.7998 11.2637 11.2672 11.3344 11.3362 13.0003 13.0046 k = 0.1417 0.3833 0.6238 ( 3316 PWs) bands (ev): -47.4561 -47.4561 -22.3433 -22.3433 -19.5251 -19.5173 -19.3648 -19.3541 -19.3146 -19.3124 -17.6496 -17.6487 -7.6259 -7.6256 -4.8662 -4.8633 -4.4504 -4.4456 -3.9793 -3.9760 -0.3474 -0.3458 0.9548 0.9558 2.0769 2.0775 4.7922 4.7961 11.2524 11.2556 11.2833 11.2851 13.0429 13.0477 k = 0.1333 0.3905 0.6165 ( 3314 PWs) bands (ev): -47.4561 -47.4561 -22.3439 -22.3439 -19.5238 -19.5164 -19.3633 -19.3531 -19.3144 -19.3123 -17.6510 -17.6502 -7.6338 -7.6335 -4.8560 -4.8531 -4.4556 -4.4507 -3.9804 -3.9771 -0.3446 -0.3431 0.9746 0.9757 2.0730 2.0737 4.7885 4.7922 11.2335 11.2349 11.2412 11.2452 13.0778 13.0828 k = 0.1250 0.3976 0.6093 ( 3318 PWs) bands (ev): -47.4561 -47.4561 -22.3446 -22.3446 -19.5225 -19.5155 -19.3619 -19.3521 -19.3142 -19.3121 -17.6525 -17.6516 -7.6417 -7.6414 -4.8460 -4.8431 -4.4601 -4.4552 -3.9820 -3.9788 -0.3416 -0.3402 0.9946 0.9957 2.0691 2.0698 4.7846 4.7882 11.1871 11.1885 11.2291 11.2324 13.1047 13.1098 k = 0.1167 0.4048 0.6020 ( 3316 PWs) bands (ev): -47.4561 -47.4561 -22.3453 -22.3453 -19.5212 -19.5146 -19.3604 -19.3511 -19.3140 -19.3120 -17.6539 -17.6531 -7.6495 -7.6493 -4.8365 -4.8336 -4.4636 -4.4587 -3.9842 -3.9809 -0.3385 -0.3372 1.0147 1.0158 2.0652 2.0659 4.7808 4.7842 11.1426 11.1439 11.2171 11.2201 13.1241 13.1291 k = 0.1083 0.4120 0.5948 ( 3320 PWs) bands (ev): -47.4561 -47.4561 -22.3460 -22.3460 -19.5200 -19.5138 -19.3589 -19.3501 -19.3138 -19.3118 -17.6553 -17.6546 -7.6572 -7.6570 -4.8275 -4.8247 -4.4662 -4.4613 -3.9868 -3.9836 -0.3353 -0.3341 1.0345 1.0356 2.0614 2.0621 4.7769 4.7801 11.1004 11.1017 11.2051 11.2079 13.1367 13.1415 k = 0.1000 0.4192 0.5875 ( 3322 PWs) bands (ev): -47.4561 -47.4561 -22.3466 -22.3466 -19.5188 -19.5130 -19.3575 -19.3492 -19.3136 -19.3117 -17.6567 -17.6560 -7.6647 -7.6645 -4.8192 -4.8165 -4.4677 -4.4629 -3.9898 -3.9867 -0.3320 -0.3309 1.0539 1.0549 2.0576 2.0583 4.7731 4.7761 11.0608 11.0621 11.1933 11.1959 13.1438 13.1483 k = 0.0917 0.4264 0.5802 ( 3324 PWs) bands (ev): -47.4561 -47.4561 -22.3472 -22.3472 -19.5177 -19.5123 -19.3560 -19.3483 -19.3133 -19.3115 -17.6581 -17.6574 -7.6719 -7.6717 -4.8118 -4.8091 -4.4681 -4.4635 -3.9932 -3.9902 -0.3288 -0.3278 1.0726 1.0736 2.0539 2.0546 4.7693 4.7722 11.0239 11.0250 11.1818 11.1842 13.1463 13.1504 k = 0.0833 0.4336 0.5730 ( 3322 PWs) bands (ev): -47.4561 -47.4561 -22.3478 -22.3478 -19.5165 -19.5116 -19.3546 -19.3475 -19.3130 -19.3113 -17.6594 -17.6588 -7.6787 -7.6785 -4.8052 -4.8027 -4.4676 -4.4631 -3.9970 -3.9940 -0.3256 -0.3247 1.0905 1.0915 2.0504 2.0511 4.7658 4.7684 10.9897 10.9907 11.1707 11.1729 13.1454 13.1491 k = 0.0750 0.4408 0.5657 ( 3312 PWs) bands (ev): -47.4561 -47.4561 -22.3484 -22.3484 -19.5154 -19.5109 -19.3531 -19.3467 -19.3127 -19.3111 -17.6606 -17.6600 -7.6851 -7.6849 -4.7995 -4.7972 -4.4660 -4.4618 -4.0008 -3.9980 -0.3225 -0.3217 1.1074 1.1083 2.0472 2.0478 4.7624 4.7648 10.9583 10.9593 11.1602 11.1622 13.1420 13.1453 k = 0.0667 0.4480 0.5584 ( 3318 PWs) bands (ev): -47.4561 -47.4561 -22.3489 -22.3489 -19.5144 -19.5104 -19.3519 -19.3461 -19.3124 -19.3110 -17.6617 -17.6612 -7.6910 -7.6908 -4.7947 -4.7926 -4.4638 -4.4599 -4.0049 -4.0022 -0.3195 -0.3189 1.1230 1.1239 2.0441 2.0447 4.7592 4.7614 10.9299 10.9307 11.1505 11.1523 13.1370 13.1399 k = 0.0583 0.4552 0.5512 ( 3322 PWs) bands (ev): -47.4561 -47.4561 -22.3494 -22.3494 -19.5135 -19.5100 -19.3507 -19.3456 -19.3122 -19.3109 -17.6627 -17.6623 -7.6963 -7.6962 -4.7908 -4.7889 -4.4610 -4.4574 -4.0088 -4.0064 -0.3168 -0.3162 1.1373 1.1381 2.0413 2.0419 4.7563 4.7582 10.9045 10.9053 11.1416 11.1431 13.1311 13.1336 k = 0.0500 0.4623 0.5439 ( 3320 PWs) bands (ev): -47.4561 -47.4561 -22.3498 -22.3498 -19.5127 -19.5096 -19.3495 -19.3451 -19.3119 -19.3108 -17.6637 -17.6633 -7.7011 -7.7009 -4.7876 -4.7859 -4.4577 -4.4546 -4.0126 -4.0105 -0.3143 -0.3138 1.1500 1.1507 2.0389 2.0394 4.7537 4.7554 10.8823 10.8830 11.1336 11.1350 13.1249 13.1270 k = 0.0417 0.4695 0.5367 ( 3316 PWs) bands (ev): -47.4561 -47.4561 -22.3502 -22.3502 -19.5119 -19.5093 -19.3484 -19.3448 -19.3116 -19.3107 -17.6644 -17.6641 -7.7051 -7.7050 -4.7850 -4.7836 -4.4544 -4.4517 -4.0161 -4.0142 -0.3122 -0.3117 1.1610 1.1616 2.0367 2.0372 4.7515 4.7529 10.8634 10.8640 11.1267 11.1279 13.1189 13.1206 k = 0.0333 0.4767 0.5294 ( 3316 PWs) bands (ev): -47.4561 -47.4561 -22.3505 -22.3505 -19.5112 -19.5091 -19.3475 -19.3446 -19.3114 -19.3106 -17.6651 -17.6648 -7.7085 -7.7084 -4.7831 -4.7820 -4.4512 -4.4490 -4.0192 -4.0176 -0.3103 -0.3100 1.1702 1.1707 2.0350 2.0353 4.7496 4.7508 10.8478 10.8482 11.1210 11.1219 13.1135 13.1149 k = 0.0250 0.4839 0.5221 ( 3320 PWs) bands (ev): -47.4561 -47.4561 -22.3507 -22.3507 -19.5106 -19.5091 -19.3467 -19.3445 -19.3112 -19.3106 -17.6656 -17.6654 -7.7112 -7.7111 -4.7817 -4.7808 -4.4484 -4.4467 -4.0217 -4.0205 -0.3088 -0.3086 1.1775 1.1779 2.0336 2.0338 4.7482 4.7490 10.8356 10.8359 11.1165 11.1171 13.1090 13.1100 k = 0.0167 0.4911 0.5149 ( 3326 PWs) bands (ev): -47.4561 -47.4561 -22.3509 -22.3509 -19.5101 -19.5091 -19.3461 -19.3446 -19.3110 -19.3106 -17.6660 -17.6658 -7.7131 -7.7131 -4.7807 -4.7801 -4.4462 -4.4450 -4.0235 -4.0226 -0.3078 -0.3076 1.1828 1.1830 2.0326 2.0327 4.7472 4.7477 10.8268 10.8270 11.1132 11.1137 13.1057 13.1064 k = 0.0083 0.4983 0.5076 ( 3328 PWs) bands (ev): -47.4561 -47.4561 -22.3510 -22.3510 -19.5098 -19.5092 -19.3455 -19.3448 -19.3109 -19.3107 -17.6662 -17.6661 -7.7143 -7.7143 -4.7800 -4.7798 -4.4446 -4.4440 -4.0245 -4.0241 -0.3071 -0.3070 1.1860 1.1861 2.0320 2.0321 4.7466 4.7469 10.8216 10.8217 11.1113 11.1115 13.1037 13.1040 k = 0.0000 0.5055 0.5004 ( 3326 PWs) bands (ev): -47.4561 -47.4561 -22.3510 -22.3510 -19.5094 -19.5094 -19.3451 -19.3451 -19.3107 -19.3107 -17.6662 -17.6662 -7.7147 -7.7147 -4.7797 -4.7797 -4.4439 -4.4439 -4.0247 -4.0247 -0.3068 -0.3068 1.1871 1.1871 2.0318 2.0318 4.7465 4.7465 10.8199 10.8199 11.1107 11.1107 13.1031 13.1031 k = 0.0000 0.5055 0.5004 ( 3326 PWs) bands (ev): -47.4561 -47.4561 -22.3510 -22.3510 -19.5094 -19.5094 -19.3451 -19.3451 -19.3107 -19.3107 -17.6662 -17.6662 -7.7147 -7.7147 -4.7797 -4.7797 -4.4439 -4.4439 -4.0247 -4.0247 -0.3068 -0.3068 1.1871 1.1871 2.0318 2.0318 4.7465 4.7465 10.8199 10.8199 11.1107 11.1107 13.1031 13.1031 k = 0.0104 0.5114 0.4944 ( 3324 PWs) bands (ev): -47.4561 -47.4561 -22.3510 -22.3510 -19.5096 -19.5093 -19.3451 -19.3451 -19.3109 -19.3107 -17.6662 -17.6662 -7.7148 -7.7148 -4.7797 -4.7795 -4.4438 -4.4438 -4.0248 -4.0245 -0.3066 -0.3065 1.1872 1.1873 2.0316 2.0317 4.7467 4.7468 10.8205 10.8205 11.1110 11.1112 13.1019 13.1020 k = 0.0207 0.5173 0.4884 ( 3323 PWs) bands (ev): -47.4561 -47.4561 -22.3509 -22.3509 -19.5098 -19.5092 -19.3452 -19.3451 -19.3111 -19.3106 -17.6663 -17.6663 -7.7152 -7.7152 -4.7795 -4.7791 -4.4434 -4.4434 -4.0248 -4.0243 -0.3057 -0.3055 1.1874 1.1876 2.0311 2.0312 4.7473 4.7475 10.8225 10.8225 11.1121 11.1124 13.0983 13.0985 k = 0.0311 0.5233 0.4824 ( 3320 PWs) bands (ev): -47.4561 -47.4561 -22.3507 -22.3507 -19.5100 -19.5091 -19.3452 -19.3451 -19.3114 -19.3107 -17.6664 -17.6664 -7.7160 -7.7159 -4.7790 -4.7784 -4.4428 -4.4428 -4.0247 -4.0239 -0.3042 -0.3038 1.1878 1.1881 2.0303 2.0304 4.7483 4.7486 10.8257 10.8257 11.1139 11.1143 13.0923 13.0927 k = 0.0414 0.5292 0.4764 ( 3324 PWs) bands (ev): -47.4561 -47.4561 -22.3505 -22.3504 -19.5103 -19.5091 -19.3454 -19.3452 -19.3117 -19.3108 -17.6666 -17.6666 -7.7170 -7.7169 -4.7783 -4.7775 -4.4420 -4.4419 -4.0246 -4.0236 -0.3020 -0.3016 1.1883 1.1888 2.0291 2.0293 4.7498 4.7501 10.8302 10.8303 11.1164 11.1170 13.0841 13.0846 k = 0.0518 0.5352 0.4704 ( 3324 PWs) bands (ev): -47.4561 -47.4561 -22.3502 -22.3501 -19.5106 -19.5092 -19.3455 -19.3453 -19.3121 -19.3110 -17.6667 -17.6667 -7.7183 -7.7181 -4.7773 -4.7764 -4.4409 -4.4408 -4.0244 -4.0231 -0.2993 -0.2987 1.1890 1.1896 2.0277 2.0279 4.7517 4.7521 10.8360 10.8360 11.1196 11.1203 13.0735 13.0741 k = 0.0621 0.5411 0.4644 ( 3322 PWs) bands (ev): -47.4561 -47.4561 -22.3498 -22.3497 -19.5109 -19.5092 -19.3456 -19.3455 -19.3126 -19.3112 -17.6670 -17.6670 -7.7199 -7.7197 -4.7761 -4.7750 -4.4396 -4.4395 -4.0241 -4.0226 -0.2959 -0.2952 1.1899 1.1906 2.0260 2.0262 4.7540 4.7545 10.8429 10.8430 11.1235 11.1243 13.0606 13.0614 k = 0.0725 0.5470 0.4584 ( 3318 PWs) bands (ev): -47.4561 -47.4561 -22.3494 -22.3493 -19.5112 -19.5093 -19.3458 -19.3456 -19.3131 -19.3114 -17.6672 -17.6672 -7.7217 -7.7215 -4.7746 -4.7733 -4.4381 -4.4380 -4.0239 -4.0221 -0.2919 -0.2911 1.1911 1.1918 2.0240 2.0243 4.7568 4.7573 10.8511 10.8512 11.1280 11.1290 13.0455 13.0464 k = 0.0828 0.5530 0.4524 ( 3320 PWs) bands (ev): -47.4561 -47.4561 -22.3489 -22.3488 -19.5116 -19.5094 -19.3460 -19.3459 -19.3137 -19.3118 -17.6675 -17.6675 -7.7238 -7.7236 -4.7729 -4.7714 -4.4364 -4.4362 -4.0236 -4.0216 -0.2874 -0.2865 1.1923 1.1932 2.0218 2.0221 4.7601 4.7607 10.8604 10.8605 11.1331 11.1343 13.0281 13.0291 k = 0.0932 0.5589 0.4464 ( 3322 PWs) bands (ev): -47.4561 -47.4561 -22.3484 -22.3482 -19.5120 -19.5096 -19.3463 -19.3461 -19.3143 -19.3122 -17.6679 -17.6679 -7.7262 -7.7259 -4.7709 -4.7692 -4.4345 -4.4343 -4.0233 -4.0211 -0.2823 -0.2813 1.1938 1.1948 2.0194 2.0197 4.7638 4.7644 10.8707 10.8709 11.1388 11.1401 13.0085 13.0097 k = 0.1035 0.5649 0.4404 ( 3316 PWs) bands (ev): -47.4561 -47.4561 -22.3478 -22.3476 -19.5124 -19.5098 -19.3465 -19.3464 -19.3149 -19.3125 -17.6683 -17.6683 -7.7288 -7.7285 -4.7685 -4.7667 -4.4323 -4.4321 -4.0231 -4.0207 -0.2766 -0.2755 1.1954 1.1966 2.0168 2.0172 4.7680 4.7687 10.8821 10.8823 11.1450 11.1465 12.9867 12.9880 k = 0.1139 0.5708 0.4344 ( 3315 PWs) bands (ev): -47.4561 -47.4561 -22.3471 -22.3470 -19.5129 -19.5100 -19.3468 -19.3467 -19.3156 -19.3130 -17.6687 -17.6687 -7.7317 -7.7314 -4.7659 -4.7639 -4.4301 -4.4298 -4.0229 -4.0202 -0.2704 -0.2692 1.1973 1.1985 2.0141 2.0145 4.7727 4.7735 10.8944 10.8946 11.1518 11.1533 12.9627 12.9642 k = 0.1242 0.5767 0.4284 ( 3316 PWs) bands (ev): -47.4561 -47.4561 -22.3464 -22.3463 -19.5133 -19.5102 -19.3471 -19.3471 -19.3163 -19.3135 -17.6691 -17.6691 -7.7348 -7.7344 -4.7630 -4.7609 -4.4276 -4.4274 -4.0227 -4.0199 -0.2638 -0.2625 1.1993 1.2006 2.0112 2.0117 4.7779 4.7787 10.9075 10.9077 11.1590 11.1606 12.9366 12.9382 k = 0.1346 0.5827 0.4224 ( 3312 PWs) bands (ev): -47.4561 -47.4561 -22.3457 -22.3455 -19.5138 -19.5105 -19.3474 -19.3474 -19.3171 -19.3139 -17.6696 -17.6695 -7.7381 -7.7377 -4.7598 -4.7575 -4.4250 -4.4247 -4.0227 -4.0197 -0.2566 -0.2552 1.2015 1.2029 2.0082 2.0087 4.7836 4.7845 10.9213 10.9216 11.1666 11.1683 12.9083 12.9101 k = 0.1449 0.5886 0.4164 ( 3314 PWs) bands (ev): -47.4562 -47.4562 -22.3450 -22.3448 -19.5143 -19.5108 -19.3478 -19.3477 -19.3179 -19.3145 -17.6700 -17.6700 -7.7417 -7.7413 -4.7562 -4.7538 -4.4223 -4.4220 -4.0227 -4.0195 -0.2490 -0.2475 1.2039 1.2054 2.0052 2.0057 4.7898 4.7908 10.9358 10.9361 11.1747 11.1765 12.8779 12.8798 k = 0.1553 0.5946 0.4104 ( 3315 PWs) bands (ev): -47.4562 -47.4562 -22.3442 -22.3440 -19.5149 -19.5112 -19.3482 -19.3481 -19.3187 -19.3151 -17.6705 -17.6705 -7.7454 -7.7450 -4.7523 -4.7498 -4.4195 -4.4191 -4.0229 -4.0195 -0.2409 -0.2393 1.2064 1.2080 2.0021 2.0026 4.7966 4.7976 10.9507 10.9510 11.1832 11.1850 12.8453 12.8474 k = 0.1656 0.6005 0.4044 ( 3317 PWs) bands (ev): -47.4562 -47.4562 -22.3434 -22.3432 -19.5154 -19.5116 -19.3487 -19.3484 -19.3195 -19.3156 -17.6711 -17.6711 -7.7494 -7.7489 -4.7481 -4.7454 -4.4165 -4.4162 -4.0232 -4.0197 -0.2325 -0.2308 1.2092 1.2109 1.9990 1.9995 4.8039 4.8050 10.9658 10.9663 11.1922 11.1940 12.8107 12.8128 k = 0.1760 0.6064 0.3984 ( 3317 PWs) bands (ev): -47.4562 -47.4562 -22.3426 -22.3424 -19.5160 -19.5120 -19.3492 -19.3488 -19.3203 -19.3162 -17.6716 -17.6716 -7.7535 -7.7530 -4.7435 -4.7407 -4.4135 -4.4132 -4.0237 -4.0200 -0.2237 -0.2219 1.2121 1.2139 1.9959 1.9965 4.8118 4.8129 10.9809 10.9815 11.2017 11.2036 12.7738 12.7761 k = 0.1863 0.6124 0.3924 ( 3316 PWs) bands (ev): -47.4562 -47.4562 -22.3418 -22.3416 -19.5165 -19.5124 -19.3497 -19.3491 -19.3211 -19.3167 -17.6721 -17.6721 -7.7578 -7.7573 -4.7386 -4.7357 -4.4104 -4.4101 -4.0243 -4.0205 -0.2145 -0.2126 1.2152 1.2171 1.9929 1.9935 4.8202 4.8213 10.9958 10.9966 11.2119 11.2137 12.7348 12.7372 k = 0.1967 0.6183 0.3864 ( 3322 PWs) bands (ev): -47.4562 -47.4562 -22.3410 -22.3407 -19.5171 -19.5129 -19.3503 -19.3496 -19.3220 -19.3173 -17.6727 -17.6727 -7.7623 -7.7617 -4.7333 -4.7303 -4.4073 -4.4069 -4.0251 -4.0211 -0.2051 -0.2031 1.2185 1.2204 1.9899 1.9906 4.8291 4.8303 11.0102 11.0111 11.2229 11.2245 12.6937 12.6961 k = 0.2070 0.6242 0.3804 ( 3322 PWs) bands (ev): -47.4562 -47.4562 -22.3402 -22.3399 -19.5177 -19.5133 -19.3508 -19.3499 -19.3228 -19.3178 -17.6732 -17.6732 -7.7668 -7.7663 -4.7277 -4.7246 -4.4042 -4.4038 -4.0260 -4.0220 -0.1953 -0.1933 1.2219 1.2239 1.9871 1.9877 4.8386 4.8398 11.0237 11.0249 11.2348 11.2362 12.6503 12.6529 k = 0.2174 0.6302 0.3744 ( 3322 PWs) bands (ev): -47.4562 -47.4562 -22.3394 -22.3391 -19.5183 -19.5138 -19.3514 -19.3504 -19.3235 -19.3183 -17.6738 -17.6738 -7.7716 -7.7710 -4.7217 -4.7186 -4.4010 -4.4006 -4.0272 -4.0230 -0.1853 -0.1832 1.2255 1.2276 1.9843 1.9850 4.8486 4.8499 11.0359 11.0374 11.2478 11.2490 12.6048 12.6074 k = 0.2277 0.6361 0.3684 ( 3317 PWs) bands (ev): -47.4562 -47.4562 -22.3386 -22.3383 -19.5188 -19.5143 -19.3519 -19.3507 -19.3242 -19.3188 -17.6743 -17.6743 -7.7764 -7.7758 -4.7154 -4.7122 -4.3979 -4.3974 -4.0285 -4.0242 -0.1751 -0.1730 1.2292 1.2314 1.9817 1.9824 4.8591 4.8605 11.0467 11.0484 11.2620 11.2630 12.5573 12.5599 k = 0.2381 0.6421 0.3624 ( 3320 PWs) bands (ev): -47.4563 -47.4563 -22.3378 -22.3376 -19.5194 -19.5148 -19.3525 -19.3512 -19.3250 -19.3193 -17.6749 -17.6749 -7.7813 -7.7807 -4.7087 -4.7054 -4.3948 -4.3943 -4.0300 -4.0257 -0.1647 -0.1625 1.2330 1.2353 1.9792 1.9800 4.8702 4.8715 11.0556 11.0576 11.2775 11.2782 12.5076 12.5102 k = 0.2484 0.6480 0.3564 ( 3324 PWs) bands (ev): -47.4563 -47.4563 -22.3371 -22.3369 -19.5200 -19.5153 -19.3531 -19.3516 -19.3257 -19.3198 -17.6754 -17.6754 -7.7863 -7.7857 -4.7017 -4.6984 -4.3918 -4.3913 -4.0317 -4.0273 -0.1542 -0.1519 1.2369 1.2392 1.9769 1.9776 4.8818 4.8831 11.0624 11.0648 11.2943 11.2946 12.4562 12.4587 k = 0.2588 0.6539 0.3504 ( 3320 PWs) bands (ev): -47.4563 -47.4563 -22.3365 -22.3362 -19.5205 -19.5158 -19.3537 -19.3520 -19.3262 -19.3202 -17.6759 -17.6759 -7.7914 -7.7907 -4.6943 -4.6909 -4.3888 -4.3883 -4.0335 -4.0291 -0.1435 -0.1412 1.2410 1.2433 1.9748 1.9755 4.8938 4.8952 11.0672 11.0698 11.3121 11.3121 12.4031 12.4055 k = 0.2691 0.6599 0.3444 ( 3320 PWs) bands (ev): -47.4563 -47.4563 -22.3358 -22.3355 -19.5210 -19.5163 -19.3543 -19.3524 -19.3268 -19.3206 -17.6764 -17.6764 -7.7965 -7.7958 -4.6867 -4.6832 -4.3859 -4.3854 -4.0356 -4.0310 -0.1328 -0.1305 1.2451 1.2475 1.9728 1.9735 4.9063 4.9077 11.0698 11.0727 11.3304 11.3306 12.3487 12.3511 k = 0.2795 0.6658 0.3384 ( 3319 PWs) bands (ev): -47.4563 -47.4563 -22.3353 -22.3350 -19.5215 -19.5168 -19.3549 -19.3529 -19.3273 -19.3209 -17.6769 -17.6769 -7.8016 -7.8009 -4.6787 -4.6752 -4.3832 -4.3827 -4.0377 -4.0332 -0.1221 -0.1196 1.2492 1.2516 1.9710 1.9718 4.9192 4.9206 11.0703 11.0734 11.3487 11.3492 12.2936 12.2959 k = 0.2898 0.6718 0.3324 ( 3321 PWs) bands (ev): -47.4563 -47.4563 -22.3347 -22.3345 -19.5220 -19.5173 -19.3555 -19.3533 -19.3277 -19.3212 -17.6774 -17.6774 -7.8067 -7.8061 -4.6704 -4.6669 -4.3805 -4.3801 -4.0400 -4.0354 -0.1113 -0.1088 1.2534 1.2558 1.9694 1.9702 4.9325 4.9339 11.0689 11.0721 11.3664 11.3672 12.2385 12.2406 k = 0.3002 0.6777 0.3264 ( 3319 PWs) bands (ev): -47.4564 -47.4564 -22.3343 -22.3340 -19.5225 -19.5178 -19.3561 -19.3538 -19.3281 -19.3215 -17.6778 -17.6778 -7.8119 -7.8112 -4.6618 -4.6583 -4.3780 -4.3775 -4.0425 -4.0379 -0.1005 -0.0980 1.2575 1.2600 1.9679 1.9687 4.9461 4.9476 11.0656 11.0689 11.3825 11.3835 12.1845 12.1865 k = 0.3105 0.6836 0.3204 ( 3317 PWs) bands (ev): -47.4564 -47.4564 -22.3339 -22.3336 -19.5229 -19.5183 -19.3566 -19.3542 -19.3284 -19.3217 -17.6782 -17.6782 -7.8170 -7.8163 -4.6529 -4.6494 -4.3757 -4.3752 -4.0450 -4.0404 -0.0898 -0.0873 1.2616 1.2642 1.9667 1.9675 4.9601 4.9615 11.0605 11.0639 11.3954 11.3966 12.1332 12.1349 k = 0.3209 0.6896 0.3144 ( 3319 PWs) bands (ev): -47.4564 -47.4564 -22.3336 -22.3333 -19.5234 -19.5188 -19.3572 -19.3547 -19.3286 -19.3218 -17.6785 -17.6785 -7.8220 -7.8213 -4.6438 -4.6403 -4.3736 -4.3731 -4.0476 -4.0430 -0.0791 -0.0766 1.2657 1.2682 1.9656 1.9664 4.9743 4.9757 11.0538 11.0572 11.4033 11.4047 12.0865 12.0880 k = 0.3312 0.6955 0.3084 ( 3323 PWs) bands (ev): -47.4564 -47.4564 -22.3334 -22.3331 -19.5238 -19.5193 -19.3577 -19.3551 -19.3288 -19.3220 -17.6788 -17.6788 -7.8270 -7.8263 -4.6344 -4.6309 -4.3716 -4.3712 -4.0504 -4.0458 -0.0686 -0.0660 1.2696 1.2721 1.9646 1.9655 4.9887 4.9902 11.0455 11.0489 11.4040 11.4055 12.0468 12.0482 k = 0.3416 0.7014 0.3024 ( 3313 PWs) bands (ev): -47.4564 -47.4564 -22.3332 -22.3329 -19.5241 -19.5197 -19.3582 -19.3555 -19.3288 -19.3220 -17.6791 -17.6791 -7.8319 -7.8312 -4.6247 -4.6212 -4.3699 -4.3694 -4.0531 -4.0486 -0.0581 -0.0556 1.2734 1.2760 1.9638 1.9647 5.0033 5.0047 11.0357 11.0390 11.3951 11.3966 12.0169 12.0180 k = 0.3519 0.7074 0.2964 ( 3309 PWs) bands (ev): -47.4565 -47.4565 -22.3332 -22.3329 -19.5245 -19.5201 -19.3586 -19.3559 -19.3288 -19.3220 -17.6793 -17.6793 -7.8367 -7.8360 -4.6148 -4.6114 -4.3684 -4.3679 -4.0559 -4.0514 -0.0478 -0.0453 1.2770 1.2796 1.9632 1.9640 5.0180 5.0194 11.0242 11.0274 11.3749 11.3764 11.9987 11.9997 k = 0.3519 0.7074 0.2964 ( 3309 PWs) bands (ev): -47.4565 -47.4565 -22.3332 -22.3329 -19.5245 -19.5201 -19.3586 -19.3559 -19.3288 -19.3220 -17.6793 -17.6793 -7.8367 -7.8360 -4.6148 -4.6114 -4.3684 -4.3679 -4.0559 -4.0514 -0.0478 -0.0453 1.2770 1.2796 1.9632 1.9640 5.0180 5.0194 11.0242 11.0274 11.3749 11.3764 11.9987 11.9997 k = 0.3574 0.7027 0.2854 ( 3305 PWs) bands (ev): -47.4565 -47.4565 -22.3331 -22.3329 -19.5250 -19.5209 -19.3595 -19.3567 -19.3286 -19.3220 -17.6797 -17.6797 -7.8454 -7.8447 -4.5963 -4.5929 -4.3659 -4.3654 -4.0610 -4.0566 -0.0290 -0.0265 1.2834 1.2859 1.9619 1.9628 5.0452 5.0465 11.0002 11.0031 11.3265 11.3278 11.9773 11.9782 k = 0.3629 0.6979 0.2744 ( 3313 PWs) bands (ev): -47.4565 -47.4565 -22.3332 -22.3329 -19.5257 -19.5217 -19.3604 -19.3575 -19.3285 -19.3220 -17.6800 -17.6800 -7.8540 -7.8533 -4.5775 -4.5741 -4.3635 -4.3631 -4.0662 -4.0618 -0.0100 -0.0075 1.2895 1.2920 1.9606 1.9615 5.0726 5.0739 10.9735 10.9761 11.2767 11.2778 11.9565 11.9573 k = 0.3684 0.6932 0.2634 ( 3313 PWs) bands (ev): -47.4566 -47.4566 -22.3333 -22.3330 -19.5263 -19.5225 -19.3612 -19.3583 -19.3283 -19.3219 -17.6803 -17.6803 -7.8625 -7.8618 -4.5582 -4.5549 -4.3613 -4.3608 -4.0713 -4.0671 0.0092 0.0116 1.2953 1.2978 1.9592 1.9601 5.1001 5.1014 10.9444 10.9467 11.2256 11.2264 11.9194 11.9226 k = 0.3739 0.6885 0.2525 ( 3308 PWs) bands (ev): -47.4566 -47.4566 -22.3334 -22.3331 -19.5270 -19.5233 -19.3620 -19.3591 -19.3281 -19.3218 -17.6805 -17.6805 -7.8708 -7.8701 -4.5387 -4.5355 -4.3592 -4.3587 -4.0764 -4.0723 0.0284 0.0309 1.3010 1.3034 1.9576 1.9585 5.1278 5.1290 10.9135 10.9154 11.1732 11.1738 11.8561 11.8594 k = 0.3793 0.6837 0.2415 ( 3312 PWs) bands (ev): -47.4567 -47.4567 -22.3335 -22.3333 -19.5276 -19.5242 -19.3628 -19.3599 -19.3278 -19.3218 -17.6807 -17.6807 -7.8790 -7.8783 -4.5191 -4.5159 -4.3572 -4.3567 -4.0815 -4.0774 0.0476 0.0501 1.3064 1.3088 1.9560 1.9569 5.1553 5.1565 10.8810 10.8825 11.1201 11.1203 11.7945 11.7976 k = 0.3848 0.6790 0.2305 ( 3308 PWs) bands (ev): -47.4567 -47.4567 -22.3337 -22.3335 -19.5283 -19.5250 -19.3635 -19.3606 -19.3275 -19.3217 -17.6809 -17.6809 -7.8870 -7.8863 -4.4995 -4.4963 -4.3553 -4.3549 -4.0865 -4.0825 0.0668 0.0692 1.3116 1.3139 1.9543 1.9552 5.1827 5.1838 10.8470 10.8482 11.0665 11.0666 11.7346 11.7376 k = 0.3903 0.6743 0.2195 ( 3304 PWs) bands (ev): -47.4567 -47.4567 -22.3339 -22.3337 -19.5289 -19.5258 -19.3642 -19.3614 -19.3272 -19.3215 -17.6811 -17.6811 -7.8947 -7.8941 -4.4799 -4.4767 -4.3535 -4.3531 -4.0914 -4.0875 0.0858 0.0881 1.3165 1.3188 1.9526 1.9535 5.2098 5.2109 10.8116 10.8124 11.0131 11.0135 11.6766 11.6795 k = 0.3958 0.6695 0.2086 ( 3296 PWs) bands (ev): -47.4568 -47.4568 -22.3341 -22.3339 -19.5296 -19.5266 -19.3649 -19.3621 -19.3268 -19.3214 -17.6812 -17.6812 -7.9023 -7.9017 -4.4604 -4.4573 -4.3519 -4.3514 -4.0963 -4.0924 0.1046 0.1069 1.3212 1.3235 1.9509 1.9517 5.2366 5.2377 10.7748 10.7751 10.9608 10.9616 11.6207 11.6234 k = 0.4013 0.6648 0.1976 ( 3296 PWs) bands (ev): -47.4568 -47.4568 -22.3344 -22.3341 -19.5302 -19.5275 -19.3656 -19.3629 -19.3265 -19.3212 -17.6813 -17.6813 -7.9096 -7.9090 -4.4412 -4.4381 -4.3503 -4.3499 -4.1010 -4.0972 0.1230 0.1252 1.3257 1.3279 1.9491 1.9499 5.2629 5.2639 10.7361 10.7362 10.9106 10.9116 11.5668 11.5694 k = 0.4068 0.6601 0.1866 ( 3296 PWs) bands (ev): -47.4569 -47.4569 -22.3346 -22.3344 -19.5309 -19.5283 -19.3662 -19.3636 -19.3261 -19.3211 -17.6814 -17.6814 -7.9166 -7.9161 -4.4223 -4.4193 -4.3489 -4.3484 -4.1056 -4.1019 0.1410 0.1432 1.3298 1.3320 1.9473 1.9481 5.2886 5.2896 10.6953 10.6957 10.8632 10.8646 11.5152 11.5176 k = 0.4122 0.6553 0.1756 ( 3296 PWs) bands (ev): -47.4569 -47.4569 -22.3349 -22.3347 -19.5315 -19.5291 -19.3668 -19.3643 -19.3257 -19.3210 -17.6815 -17.6815 -7.9234 -7.9228 -4.4039 -4.4009 -4.3475 -4.3471 -4.1100 -4.1064 0.1585 0.1606 1.3338 1.3359 1.9455 1.9463 5.3136 5.3145 10.6527 10.6533 10.8194 10.8210 11.4658 11.4681 k = 0.4177 0.6506 0.1647 ( 3292 PWs) bands (ev): -47.4569 -47.4569 -22.3351 -22.3349 -19.5322 -19.5299 -19.3673 -19.3649 -19.3253 -19.3208 -17.6815 -17.6815 -7.9298 -7.9293 -4.3860 -4.3830 -4.3462 -4.3458 -4.1143 -4.1108 0.1755 0.1775 1.3375 1.3395 1.9437 1.9445 5.3378 5.3387 10.6085 10.6094 10.7795 10.7812 11.4189 11.4211 k = 0.4232 0.6459 0.1537 ( 3292 PWs) bands (ev): -47.4570 -47.4570 -22.3354 -22.3352 -19.5328 -19.5307 -19.3678 -19.3655 -19.3249 -19.3207 -17.6815 -17.6815 -7.9359 -7.9354 -4.3689 -4.3658 -4.3450 -4.3445 -4.1184 -4.1150 0.1917 0.1937 1.3410 1.3429 1.9420 1.9427 5.3611 5.3619 10.5634 10.5644 10.7435 10.7451 11.3745 11.3765 k = 0.4287 0.6412 0.1427 ( 3296 PWs) bands (ev): -47.4570 -47.4570 -22.3356 -22.3355 -19.5334 -19.5314 -19.3683 -19.3662 -19.3245 -19.3206 -17.6816 -17.6816 -7.9417 -7.9412 -4.3528 -4.3496 -4.3435 -4.3430 -4.1224 -4.1190 0.2073 0.2091 1.3442 1.3460 1.9403 1.9410 5.3833 5.3841 10.5183 10.5192 10.7110 10.7126 11.3327 11.3346 k = 0.4342 0.6364 0.1317 ( 3294 PWs) bands (ev): -47.4570 -47.4570 -22.3359 -22.3357 -19.5339 -19.5321 -19.3688 -19.3667 -19.3242 -19.3205 -17.6816 -17.6816 -7.9471 -7.9466 -4.3438 -4.3434 -4.3352 -4.3330 -4.1260 -4.1227 0.2221 0.2238 1.3471 1.3489 1.9387 1.9394 5.4044 5.4051 10.4738 10.4746 10.6817 10.6832 11.2937 11.2954 k = 0.4397 0.6317 0.1207 ( 3294 PWs) bands (ev): -47.4571 -47.4571 -22.3361 -22.3360 -19.5344 -19.5328 -19.3692 -19.3673 -19.3238 -19.3204 -17.6816 -17.6816 -7.9521 -7.9517 -4.3424 -4.3423 -4.3209 -4.3183 -4.1295 -4.1263 0.2360 0.2376 1.3499 1.3515 1.9372 1.9378 5.4242 5.4248 10.4307 10.4315 10.6553 10.6567 11.2574 11.2590 k = 0.4452 0.6270 0.1098 ( 3294 PWs) bands (ev): -47.4571 -47.4571 -22.3364 -22.3362 -19.5349 -19.5334 -19.3695 -19.3678 -19.3234 -19.3204 -17.6816 -17.6816 -7.9567 -7.9563 -4.3415 -4.3414 -4.3071 -4.3045 -4.1327 -4.1296 0.2489 0.2504 1.3523 1.3538 1.9358 1.9363 5.4427 5.4433 10.3898 10.3905 10.6316 10.6328 11.2240 11.2254 k = 0.4506 0.6222 0.0988 ( 3298 PWs) bands (ev): -47.4571 -47.4571 -22.3366 -22.3365 -19.5354 -19.5341 -19.3698 -19.3683 -19.3231 -19.3203 -17.6816 -17.6816 -7.9609 -7.9606 -4.3408 -4.3406 -4.2943 -4.2917 -4.1357 -4.1327 0.2608 0.2622 1.3546 1.3559 1.9344 1.9349 5.4597 5.4602 10.3514 10.3521 10.6103 10.6114 11.1935 11.1948 k = 0.4561 0.6175 0.0878 ( 3302 PWs) bands (ev): -47.4572 -47.4572 -22.3368 -22.3367 -19.5358 -19.5346 -19.3701 -19.3687 -19.3228 -19.3203 -17.6816 -17.6816 -7.9648 -7.9645 -4.3401 -4.3400 -4.2825 -4.2801 -4.1384 -4.1356 0.2717 0.2729 1.3566 1.3578 1.9332 1.9337 5.4753 5.4757 10.3161 10.3167 10.5914 10.5923 11.1660 11.1672 k = 0.4616 0.6128 0.0768 ( 3302 PWs) bands (ev): -47.4572 -47.4572 -22.3370 -22.3369 -19.5361 -19.5351 -19.3704 -19.3691 -19.3224 -19.3203 -17.6816 -17.6816 -7.9681 -7.9679 -4.3395 -4.3394 -4.2719 -4.2696 -4.1409 -4.1382 0.2814 0.2825 1.3584 1.3595 1.9321 1.9325 5.4892 5.4896 10.2843 10.2848 10.5747 10.5756 11.1417 11.1427 k = 0.4671 0.6080 0.0659 ( 3298 PWs) bands (ev): -47.4572 -47.4572 -22.3372 -22.3371 -19.5364 -19.5356 -19.3705 -19.3694 -19.3221 -19.3202 -17.6816 -17.6816 -7.9711 -7.9709 -4.3390 -4.3389 -4.2625 -4.2603 -4.1430 -4.1405 0.2900 0.2910 1.3599 1.3609 1.9311 1.9315 5.5014 5.5017 10.2561 10.2565 10.5603 10.5610 11.1204 11.1213 k = 0.4726 0.6033 0.0549 ( 3294 PWs) bands (ev): -47.4572 -47.4572 -22.3373 -22.3372 -19.5367 -19.5360 -19.3706 -19.3697 -19.3218 -19.3202 -17.6816 -17.6816 -7.9736 -7.9734 -4.3386 -4.3385 -4.2544 -4.2524 -4.1448 -4.1426 0.2973 0.2981 1.3612 1.3620 1.9303 1.9306 5.5119 5.5122 10.2320 10.2323 10.5481 10.5487 11.1024 11.1031 k = 0.4781 0.5986 0.0439 ( 3294 PWs) bands (ev): -47.4572 -47.4572 -22.3374 -22.3374 -19.5369 -19.5363 -19.3707 -19.3700 -19.3215 -19.3203 -17.6816 -17.6816 -7.9757 -7.9755 -4.3382 -4.3382 -4.2476 -4.2459 -4.1462 -4.1444 0.3034 0.3041 1.3623 1.3630 1.9297 1.9299 5.5205 5.5208 10.2119 10.2122 10.5382 10.5387 11.0876 11.0881 k = 0.4835 0.5938 0.0329 ( 3292 PWs) bands (ev): -47.4572 -47.4572 -22.3375 -22.3375 -19.5370 -19.5366 -19.3708 -19.3702 -19.3213 -19.3203 -17.6816 -17.6816 -7.9773 -7.9772 -4.3380 -4.3379 -4.2422 -4.2408 -4.1473 -4.1459 0.3082 0.3087 1.3632 1.3637 1.9291 1.9293 5.5274 5.5275 10.1962 10.1964 10.5305 10.5308 11.0760 11.0765 k = 0.4890 0.5891 0.0220 ( 3296 PWs) bands (ev): -47.4572 -47.4572 -22.3376 -22.3375 -19.5371 -19.5368 -19.3708 -19.3704 -19.3211 -19.3204 -17.6816 -17.6816 -7.9784 -7.9783 -4.3378 -4.3377 -4.2382 -4.2373 -4.1481 -4.1470 0.3116 0.3119 1.3638 1.3642 1.9288 1.9289 5.5323 5.5324 10.1849 10.1850 10.5249 10.5252 11.0678 11.0681 k = 0.4945 0.5844 0.0110 ( 3296 PWs) bands (ev): -47.4573 -47.4573 -22.3376 -22.3376 -19.5371 -19.5370 -19.3708 -19.3706 -19.3209 -19.3206 -17.6816 -17.6816 -7.9791 -7.9791 -4.3377 -4.3376 -4.2357 -4.2352 -4.1484 -4.1479 0.3137 0.3139 1.3642 1.3644 1.9286 1.9286 5.5352 5.5353 10.1781 10.1781 10.5217 10.5218 11.0629 11.0630 k = 0.5000 0.5796-0.0000 ( 3292 PWs) bands (ev): -47.4573 -47.4573 -22.3376 -22.3376 -19.5371 -19.5371 -19.3707 -19.3707 -19.3207 -19.3207 -17.6816 -17.6816 -7.9793 -7.9793 -4.3376 -4.3376 -4.2347 -4.2347 -4.1483 -4.1483 0.3145 0.3145 1.3644 1.3644 1.9285 1.9285 5.5363 5.5363 10.1758 10.1758 10.5206 10.5206 11.0613 11.0613 k = 0.5000 0.5796-0.0000 ( 3292 PWs) bands (ev): -47.4573 -47.4573 -22.3376 -22.3376 -19.5371 -19.5371 -19.3707 -19.3707 -19.3207 -19.3207 -17.6816 -17.6816 -7.9793 -7.9793 -4.3376 -4.3376 -4.2347 -4.2347 -4.1483 -4.1483 0.3145 0.3145 1.3644 1.3644 1.9285 1.9285 5.5363 5.5363 10.1758 10.1758 10.5206 10.5206 11.0613 11.0613 k = 0.4912 0.5695-0.0000 ( 3292 PWs) bands (ev): -47.4573 -47.4573 -22.3377 -22.3377 -19.5370 -19.5370 -19.3707 -19.3707 -19.3207 -19.3207 -17.6815 -17.6815 -7.9792 -7.9792 -4.3378 -4.3378 -4.2345 -4.2345 -4.1483 -4.1483 0.3143 0.3143 1.3640 1.3640 1.9285 1.9285 5.5359 5.5359 10.1696 10.1696 10.5228 10.5228 11.0631 11.0631 k = 0.4825 0.5593-0.0000 ( 3294 PWs) bands (ev): -47.4573 -47.4573 -22.3379 -22.3379 -19.5369 -19.5369 -19.3706 -19.3706 -19.3206 -19.3206 -17.6814 -17.6814 -7.9787 -7.9787 -4.3385 -4.3385 -4.2340 -4.2340 -4.1484 -4.1484 0.3136 0.3136 1.3628 1.3628 1.9283 1.9283 5.5349 5.5349 10.1515 10.1515 10.5291 10.5291 11.0688 11.0688 k = 0.4737 0.5491-0.0000 ( 3290 PWs) bands (ev): -47.4573 -47.4573 -22.3383 -22.3383 -19.5367 -19.5367 -19.3704 -19.3704 -19.3204 -19.3204 -17.6811 -17.6811 -7.9779 -7.9779 -4.3396 -4.3396 -4.2331 -4.2331 -4.1484 -4.1484 0.3125 0.3125 1.3608 1.3608 1.9280 1.9280 5.5331 5.5331 10.1230 10.1230 10.5386 10.5386 11.0781 11.0781 k = 0.4649 0.5390-0.0000 ( 3294 PWs) bands (ev): -47.4573 -47.4573 -22.3388 -22.3388 -19.5365 -19.5365 -19.3702 -19.3702 -19.3203 -19.3203 -17.6808 -17.6808 -7.9768 -7.9768 -4.3412 -4.3412 -4.2319 -4.2319 -4.1485 -4.1485 0.3109 0.3109 1.3580 1.3580 1.9275 1.9275 5.5306 5.5306 10.0860 10.0860 10.5505 10.5505 11.0912 11.0912 k = 0.4561 0.5288-0.0000 ( 3298 PWs) bands (ev): -47.4573 -47.4573 -22.3395 -22.3395 -19.5362 -19.5362 -19.3699 -19.3699 -19.3201 -19.3201 -17.6804 -17.6804 -7.9755 -7.9755 -4.3432 -4.3432 -4.2303 -4.2303 -4.1487 -4.1487 0.3090 0.3090 1.3543 1.3543 1.9269 1.9269 5.5275 5.5275 10.0421 10.0421 10.5639 10.5639 11.1080 11.1080 k = 0.4474 0.5186-0.0000 ( 3300 PWs) bands (ev): -47.4573 -47.4573 -22.3403 -22.3403 -19.5359 -19.5359 -19.3695 -19.3695 -19.3198 -19.3198 -17.6799 -17.6799 -7.9737 -7.9737 -4.3456 -4.3456 -4.2284 -4.2284 -4.1489 -4.1489 0.3065 0.3065 1.3499 1.3499 1.9262 1.9262 5.5237 5.5237 9.9930 9.9930 10.5787 10.5787 11.1286 11.1286 k = 0.4386 0.5085-0.0000 ( 3296 PWs) bands (ev): -47.4573 -47.4573 -22.3413 -22.3413 -19.5354 -19.5354 -19.3691 -19.3691 -19.3194 -19.3194 -17.6793 -17.6793 -7.9717 -7.9717 -4.3485 -4.3485 -4.2261 -4.2261 -4.1491 -4.1491 0.3037 0.3037 1.3448 1.3448 1.9253 1.9253 5.5192 5.5192 9.9397 9.9397 10.5945 10.5945 11.1528 11.1528 k = 0.4298 0.4983-0.0000 ( 3300 PWs) bands (ev): -47.4573 -47.4573 -22.3424 -22.3424 -19.5350 -19.5350 -19.3687 -19.3687 -19.3191 -19.3191 -17.6786 -17.6786 -7.9693 -7.9693 -4.3517 -4.3517 -4.2235 -4.2235 -4.1493 -4.1493 0.3005 0.3005 1.3389 1.3389 1.9243 1.9243 5.5141 5.5141 9.8833 9.8833 10.6116 10.6116 11.1806 11.1806 k = 0.4211 0.4881-0.0000 ( 3308 PWs) bands (ev): -47.4573 -47.4573 -22.3436 -22.3436 -19.5345 -19.5345 -19.3682 -19.3682 -19.3187 -19.3187 -17.6778 -17.6778 -7.9666 -7.9666 -4.3554 -4.3554 -4.2206 -4.2206 -4.1496 -4.1496 0.2968 0.2968 1.3322 1.3322 1.9230 1.9230 5.5084 5.5084 9.8247 9.8247 10.6298 10.6298 11.2121 11.2121 k = 0.4123 0.4780-0.0000 ( 3300 PWs) bands (ev): -47.4573 -47.4573 -22.3450 -22.3450 -19.5339 -19.5339 -19.3676 -19.3676 -19.3182 -19.3182 -17.6769 -17.6769 -7.9636 -7.9636 -4.3595 -4.3595 -4.2173 -4.2173 -4.1500 -4.1500 0.2928 0.2928 1.3249 1.3249 1.9215 1.9215 5.5020 5.5020 9.7644 9.7644 10.6493 10.6493 11.2472 11.2472 k = 0.4035 0.4678-0.0000 ( 3300 PWs) bands (ev): -47.4573 -47.4573 -22.3464 -22.3464 -19.5333 -19.5333 -19.3670 -19.3670 -19.3177 -19.3177 -17.6760 -17.6760 -7.9602 -7.9602 -4.3640 -4.3640 -4.2138 -4.2138 -4.1504 -4.1504 0.2884 0.2884 1.3169 1.3169 1.9198 1.9198 5.4951 5.4951 9.7032 9.7032 10.6702 10.6702 11.2858 11.2858 k = 0.3947 0.4576-0.0000 ( 3302 PWs) bands (ev): -47.4573 -47.4573 -22.3480 -22.3480 -19.5326 -19.5326 -19.3664 -19.3664 -19.3172 -19.3172 -17.6750 -17.6750 -7.9564 -7.9564 -4.3688 -4.3688 -4.2099 -4.2099 -4.1508 -4.1508 0.2836 0.2836 1.3083 1.3083 1.9178 1.9178 5.4876 5.4876 9.6413 9.6413 10.6927 10.6927 11.3280 11.3280 k = 0.3860 0.4474-0.0000 ( 3306 PWs) bands (ev): -47.4573 -47.4573 -22.3497 -22.3497 -19.5319 -19.5319 -19.3657 -19.3657 -19.3167 -19.3167 -17.6739 -17.6739 -7.9523 -7.9523 -4.3740 -4.3740 -4.2058 -4.2058 -4.1513 -4.1513 0.2785 0.2785 1.2991 1.2991 1.9155 1.9155 5.4795 5.4795 9.5792 9.5792 10.7167 10.7167 11.3736 11.3736 k = 0.3772 0.4373-0.0000 ( 3306 PWs) bands (ev): -47.4573 -47.4573 -22.3514 -22.3514 -19.5311 -19.5311 -19.3650 -19.3650 -19.3162 -19.3162 -17.6727 -17.6727 -7.9478 -7.9478 -4.3796 -4.3796 -4.2014 -4.2014 -4.1519 -4.1519 0.2730 0.2730 1.2893 1.2893 1.9129 1.9129 5.4709 5.4709 9.5172 9.5172 10.7424 10.7424 11.4227 11.4227 k = 0.3684 0.4271-0.0000 ( 3306 PWs) bands (ev): -47.4573 -47.4573 -22.3532 -22.3532 -19.5304 -19.5304 -19.3643 -19.3643 -19.3156 -19.3156 -17.6714 -17.6714 -7.9429 -7.9429 -4.3854 -4.3854 -4.1967 -4.1967 -4.1525 -4.1525 0.2673 0.2673 1.2789 1.2789 1.9100 1.9100 5.4619 5.4619 9.4556 9.4556 10.7699 10.7699 11.4751 11.4751 k = 0.3596 0.4169-0.0000 ( 3306 PWs) bands (ev): -47.4574 -47.4574 -22.3551 -22.3551 -19.5295 -19.5295 -19.3635 -19.3635 -19.3151 -19.3151 -17.6700 -17.6700 -7.9377 -7.9377 -4.3916 -4.3916 -4.1919 -4.1919 -4.1532 -4.1532 0.2613 0.2613 1.2681 1.2681 1.9068 1.9068 5.4523 5.4523 9.3945 9.3945 10.7991 10.7991 11.5309 11.5309 k = 0.3509 0.4068-0.0000 ( 3302 PWs) bands (ev): -47.4574 -47.4574 -22.3571 -22.3571 -19.5287 -19.5287 -19.3628 -19.3628 -19.3145 -19.3145 -17.6686 -17.6686 -7.9320 -7.9320 -4.3981 -4.3981 -4.1868 -4.1868 -4.1539 -4.1539 0.2549 0.2549 1.2568 1.2568 1.9032 1.9032 5.4423 5.4423 9.3343 9.3343 10.8302 10.8302 11.5900 11.5900 k = 0.3421 0.3966-0.0000 ( 3302 PWs) bands (ev): -47.4574 -47.4574 -22.3591 -22.3591 -19.5279 -19.5279 -19.3620 -19.3620 -19.3139 -19.3139 -17.6671 -17.6671 -7.9260 -7.9260 -4.4048 -4.4048 -4.1815 -4.1815 -4.1546 -4.1546 0.2484 0.2484 1.2450 1.2450 1.8992 1.8992 5.4320 5.4320 9.2750 9.2750 10.8632 10.8632 11.6523 11.6523 k = 0.3333 0.3864-0.0000 ( 3304 PWs) bands (ev): -47.4574 -47.4574 -22.3611 -22.3611 -19.5270 -19.5270 -19.3612 -19.3612 -19.3134 -19.3134 -17.6656 -17.6656 -7.9197 -7.9197 -4.4118 -4.4118 -4.1762 -4.1762 -4.1553 -4.1553 0.2416 0.2416 1.2329 1.2329 1.8947 1.8947 5.4212 5.4212 9.2168 9.2168 10.8982 10.8982 11.7178 11.7178 k = 0.3246 0.3763-0.0000 ( 3300 PWs) bands (ev): -47.4574 -47.4574 -22.3632 -22.3632 -19.5261 -19.5261 -19.3604 -19.3604 -19.3128 -19.3128 -17.6639 -17.6639 -7.9129 -7.9129 -4.4191 -4.4191 -4.1710 -4.1710 -4.1557 -4.1557 0.2346 0.2346 1.2205 1.2205 1.8899 1.8899 5.4101 5.4101 9.1598 9.1598 10.9351 10.9351 11.7863 11.7863 k = 0.3158 0.3661-0.0000 ( 3306 PWs) bands (ev): -47.4574 -47.4574 -22.3653 -22.3653 -19.5253 -19.5253 -19.3596 -19.3596 -19.3124 -19.3124 -17.6623 -17.6623 -7.9057 -7.9057 -4.4265 -4.4265 -4.1666 -4.1666 -4.1553 -4.1553 0.2274 0.2274 1.2077 1.2077 1.8846 1.8846 5.3987 5.3987 9.1041 9.1041 10.9739 10.9739 11.8579 11.8579 k = 0.3070 0.3559-0.0000 ( 3310 PWs) bands (ev): -47.4574 -47.4574 -22.3675 -22.3675 -19.5244 -19.5244 -19.3588 -19.3588 -19.3119 -19.3119 -17.6605 -17.6605 -7.8982 -7.8982 -4.4341 -4.4341 -4.1641 -4.1641 -4.1529 -4.1529 0.2201 0.2201 1.1947 1.1947 1.8788 1.8788 5.3870 5.3870 9.0498 9.0498 11.0147 11.0147 11.9325 11.9325 k = 0.2982 0.3458-0.0000 ( 3312 PWs) bands (ev): -47.4574 -47.4574 -22.3696 -22.3696 -19.5236 -19.5236 -19.3581 -19.3581 -19.3115 -19.3115 -17.6587 -17.6587 -7.8904 -7.8904 -4.4419 -4.4419 -4.1638 -4.1638 -4.1482 -4.1482 0.2126 0.2126 1.1814 1.1814 1.8726 1.8726 5.3751 5.3751 8.9971 8.9971 11.0575 11.0575 12.0099 12.0099 k = 0.2895 0.3356-0.0000 ( 3320 PWs) bands (ev): -47.4575 -47.4575 -22.3717 -22.3717 -19.5227 -19.5227 -19.3573 -19.3573 -19.3111 -19.3111 -17.6569 -17.6569 -7.8821 -7.8821 -4.4499 -4.4499 -4.1645 -4.1645 -4.1424 -4.1424 0.2050 0.2050 1.1680 1.1680 1.8659 1.8659 5.3629 5.3629 8.9459 8.9459 11.1021 11.1021 12.0902 12.0902 k = 0.2807 0.3254-0.0000 ( 3324 PWs) bands (ev): -47.4575 -47.4575 -22.3738 -22.3738 -19.5219 -19.5219 -19.3566 -19.3566 -19.3108 -19.3108 -17.6551 -17.6551 -7.8736 -7.8736 -4.4580 -4.4580 -4.1657 -4.1657 -4.1362 -4.1362 0.1973 0.1973 1.1545 1.1545 1.8588 1.8588 5.3506 5.3506 8.8963 8.8963 11.1487 11.1487 12.1731 12.1731 k = 0.2719 0.3152-0.0000 ( 3320 PWs) bands (ev): -47.4575 -47.4575 -22.3759 -22.3759 -19.5211 -19.5211 -19.3558 -19.3558 -19.3104 -19.3104 -17.6531 -17.6531 -7.8647 -7.8647 -4.4661 -4.4661 -4.1671 -4.1671 -4.1297 -4.1297 0.1896 0.1896 1.1409 1.1409 1.8512 1.8512 5.3382 5.3382 8.8485 8.8485 11.1972 11.1972 12.2588 12.2588 k = 0.2632 0.3051-0.0000 ( 3324 PWs) bands (ev): -47.4575 -47.4575 -22.3780 -22.3780 -19.5203 -19.5203 -19.3550 -19.3550 -19.3101 -19.3101 -17.6512 -17.6512 -7.8556 -7.8556 -4.4743 -4.4743 -4.1687 -4.1687 -4.1231 -4.1231 0.1817 0.1817 1.1272 1.1272 1.8432 1.8432 5.3257 5.3257 8.8023 8.8023 11.2475 11.2475 12.3469 12.3469 k = 0.2544 0.2949-0.0000 ( 3324 PWs) bands (ev): -47.4575 -47.4575 -22.3800 -22.3800 -19.5195 -19.5195 -19.3543 -19.3543 -19.3099 -19.3099 -17.6493 -17.6493 -7.8461 -7.8461 -4.4826 -4.4826 -4.1703 -4.1703 -4.1164 -4.1164 0.1739 0.1739 1.1135 1.1135 1.8348 1.8348 5.3131 5.3131 8.7579 8.7579 11.2996 11.2996 12.4376 12.4376 k = 0.2456 0.2847-0.0000 ( 3320 PWs) bands (ev): -47.4575 -47.4575 -22.3820 -22.3820 -19.5187 -19.5187 -19.3535 -19.3535 -19.3097 -19.3097 -17.6473 -17.6473 -7.8364 -7.8364 -4.4909 -4.4909 -4.1721 -4.1721 -4.1095 -4.1095 0.1661 0.1661 1.0999 1.0999 1.8259 1.8259 5.3006 5.3006 8.7153 8.7153 11.3534 11.3534 12.5306 12.5306 k = 0.2368 0.2746-0.0000 ( 3318 PWs) bands (ev): -47.4575 -47.4575 -22.3840 -22.3840 -19.5180 -19.5180 -19.3528 -19.3528 -19.3096 -19.3096 -17.6453 -17.6453 -7.8265 -7.8265 -4.4992 -4.4992 -4.1739 -4.1739 -4.1027 -4.1027 0.1583 0.1583 1.0864 1.0864 1.8167 1.8167 5.2880 5.2880 8.6745 8.6745 11.4089 11.4089 12.6258 12.6258 k = 0.2281 0.2644-0.0000 ( 3320 PWs) bands (ev): -47.4576 -47.4576 -22.3859 -22.3859 -19.5173 -19.5173 -19.3521 -19.3521 -19.3095 -19.3095 -17.6433 -17.6433 -7.8164 -7.8164 -4.5074 -4.5074 -4.1758 -4.1758 -4.0959 -4.0959 0.1505 0.1505 1.0729 1.0729 1.8070 1.8070 5.2755 5.2755 8.6356 8.6356 11.4659 11.4659 12.7232 12.7232 k = 0.2193 0.2542-0.0000 ( 3320 PWs) bands (ev): -47.4576 -47.4576 -22.3877 -22.3877 -19.5166 -19.5166 -19.3514 -19.3514 -19.3095 -19.3095 -17.6413 -17.6413 -7.8062 -7.8062 -4.5156 -4.5156 -4.1778 -4.1778 -4.0891 -4.0891 0.1429 0.1429 1.0596 1.0596 1.7971 1.7971 5.2631 5.2631 8.5984 8.5984 11.5244 11.5244 12.8226 12.8226 k = 0.2105 0.2441-0.0000 ( 3324 PWs) bands (ev): -47.4576 -47.4576 -22.3895 -22.3895 -19.5160 -19.5160 -19.3508 -19.3508 -19.3095 -19.3095 -17.6393 -17.6393 -7.7958 -7.7958 -4.5238 -4.5238 -4.1798 -4.1798 -4.0823 -4.0823 0.1353 0.1353 1.0466 1.0466 1.7869 1.7869 5.2509 5.2509 8.5631 8.5631 11.5842 11.5842 12.9239 12.9239 k = 0.2018 0.2339-0.0000 ( 3328 PWs) bands (ev): -47.4576 -47.4576 -22.3913 -22.3913 -19.5155 -19.5155 -19.3502 -19.3502 -19.3096 -19.3096 -17.6373 -17.6373 -7.7853 -7.7853 -4.5318 -4.5318 -4.1819 -4.1819 -4.0757 -4.0757 0.1278 0.1278 1.0337 1.0337 1.7764 1.7764 5.2388 5.2388 8.5297 8.5297 11.6453 11.6453 13.0270 13.0270 k = 0.1930 0.2237-0.0000 ( 3332 PWs) bands (ev): -47.4576 -47.4576 -22.3929 -22.3929 -19.5149 -19.5149 -19.3496 -19.3496 -19.3098 -19.3098 -17.6354 -17.6354 -7.7748 -7.7748 -4.5397 -4.5397 -4.1840 -4.1840 -4.0691 -4.0691 0.1205 0.1205 1.0211 1.0211 1.7658 1.7658 5.2269 5.2269 8.4980 8.4980 11.7074 11.7074 13.1317 13.1317 k = 0.1842 0.2136-0.0000 ( 3330 PWs) bands (ev): -47.4576 -47.4576 -22.3945 -22.3945 -19.5144 -19.5144 -19.3490 -19.3490 -19.3099 -19.3099 -17.6334 -17.6334 -7.7643 -7.7643 -4.5474 -4.5474 -4.1860 -4.1860 -4.0626 -4.0626 0.1133 0.1133 1.0089 1.0089 1.7549 1.7549 5.2153 5.2153 8.4681 8.4681 11.7706 11.7706 13.2378 13.2378 k = 0.1754 0.2034-0.0000 ( 3338 PWs) bands (ev): -47.4577 -47.4577 -22.3960 -22.3960 -19.5139 -19.5139 -19.3485 -19.3485 -19.3102 -19.3102 -17.6315 -17.6315 -7.7539 -7.7539 -4.5550 -4.5550 -4.1881 -4.1881 -4.0563 -4.0563 0.1064 0.1064 0.9969 0.9969 1.7440 1.7440 5.2039 5.2039 8.4400 8.4400 11.8345 11.8345 13.3451 13.3451 k = 0.1667 0.1932-0.0000 ( 3338 PWs) bands (ev): -47.4577 -47.4577 -22.3975 -22.3975 -19.5135 -19.5135 -19.3479 -19.3479 -19.3104 -19.3104 -17.6297 -17.6297 -7.7435 -7.7435 -4.5624 -4.5624 -4.1902 -4.1902 -4.0501 -4.0501 0.0996 0.0996 0.9853 0.9853 1.7331 1.7331 5.1928 5.1928 8.4137 8.4137 11.8990 11.8990 13.4534 13.4534 k = 0.1579 0.1830-0.0000 ( 3338 PWs) bands (ev): -47.4577 -47.4577 -22.3988 -22.3988 -19.5131 -19.5131 -19.3474 -19.3474 -19.3107 -19.3107 -17.6278 -17.6278 -7.7333 -7.7333 -4.5695 -4.5695 -4.1923 -4.1923 -4.0441 -4.0441 0.0931 0.0931 0.9742 0.9742 1.7222 1.7222 5.1821 5.1821 8.3890 8.3890 11.9639 11.9639 13.5625 13.5625 k = 0.1491 0.1729-0.0000 ( 3333 PWs) bands (ev): -47.4577 -47.4577 -22.4001 -22.4001 -19.5127 -19.5127 -19.3469 -19.3469 -19.3109 -19.3109 -17.6261 -17.6261 -7.7233 -7.7233 -4.5764 -4.5764 -4.1943 -4.1943 -4.0383 -4.0383 0.0867 0.0867 0.9635 0.9635 1.7114 1.7114 5.1718 5.1718 8.3661 8.3661 12.0291 12.0291 13.6721 13.6721 k = 0.1404 0.1627-0.0000 ( 3341 PWs) bands (ev): -47.4577 -47.4577 -22.4013 -22.4013 -19.5124 -19.5124 -19.3465 -19.3465 -19.3113 -19.3113 -17.6244 -17.6244 -7.7135 -7.7135 -4.5830 -4.5830 -4.1963 -4.1963 -4.0327 -4.0327 0.0807 0.0807 0.9532 0.9532 1.7007 1.7007 5.1619 5.1619 8.3448 8.3448 12.0942 12.0942 13.7817 13.7817 k = 0.1316 0.1525-0.0000 ( 3337 PWs) bands (ev): -47.4577 -47.4577 -22.4025 -22.4025 -19.5121 -19.5121 -19.3460 -19.3460 -19.3115 -19.3115 -17.6227 -17.6227 -7.7040 -7.7040 -4.5894 -4.5894 -4.1982 -4.1982 -4.0274 -4.0274 0.0749 0.0749 0.9434 0.9434 1.6902 1.6902 5.1524 5.1524 8.3251 8.3251 12.1589 12.1589 13.8909 13.8909 k = 0.1228 0.1424-0.0000 ( 3341 PWs) bands (ev): -47.4577 -47.4577 -22.4035 -22.4035 -19.5118 -19.5118 -19.3456 -19.3456 -19.3119 -19.3119 -17.6212 -17.6212 -7.6948 -7.6948 -4.5954 -4.5954 -4.2000 -4.2000 -4.0222 -4.0222 0.0694 0.0694 0.9341 0.9341 1.6801 1.6801 5.1434 5.1434 8.3069 8.3069 12.2230 12.2230 13.9991 13.9991 k = 0.1140 0.1322-0.0000 ( 3337 PWs) bands (ev): -47.4577 -47.4577 -22.4045 -22.4045 -19.5115 -19.5115 -19.3452 -19.3452 -19.3122 -19.3122 -17.6197 -17.6197 -7.6860 -7.6860 -4.6011 -4.6011 -4.2018 -4.2018 -4.0174 -4.0174 0.0643 0.0643 0.9254 0.9254 1.6703 1.6703 5.1349 5.1349 8.2903 8.2903 12.2862 12.2862 14.1054 14.1054 k = 0.1053 0.1220-0.0000 ( 3335 PWs) bands (ev): -47.4577 -47.4577 -22.4054 -22.4054 -19.5113 -19.5113 -19.3449 -19.3449 -19.3125 -19.3125 -17.6183 -17.6183 -7.6777 -7.6777 -4.6064 -4.6064 -4.2035 -4.2035 -4.0128 -4.0128 0.0595 0.0595 0.9172 0.9172 1.6609 1.6609 5.1269 5.1269 8.2751 8.2751 12.3480 12.3480 14.2088 14.2088 k = 0.0965 0.1119-0.0000 ( 3327 PWs) bands (ev): -47.4577 -47.4577 -22.4062 -22.4062 -19.5111 -19.5111 -19.3445 -19.3445 -19.3128 -19.3128 -17.6170 -17.6170 -7.6698 -7.6698 -4.6114 -4.6114 -4.2051 -4.2051 -4.0086 -4.0086 0.0550 0.0550 0.9096 0.9096 1.6520 1.6520 5.1194 5.1194 8.2613 8.2613 12.4081 12.4081 14.2915 14.2915 k = 0.0877 0.1017-0.0000 ( 3331 PWs) bands (ev): -47.4577 -47.4577 -22.4070 -22.4070 -19.5109 -19.5109 -19.3443 -19.3443 -19.3131 -19.3131 -17.6157 -17.6157 -7.6624 -7.6624 -4.6160 -4.6160 -4.2066 -4.2066 -4.0047 -4.0047 0.0508 0.0508 0.9026 0.9026 1.6436 1.6436 5.1126 5.1126 8.2489 8.2489 12.4660 12.4660 14.2889 14.2889 k = 0.0789 0.0915-0.0000 ( 3325 PWs) bands (ev): -47.4577 -47.4577 -22.4076 -22.4076 -19.5108 -19.5108 -19.3440 -19.3440 -19.3134 -19.3134 -17.6146 -17.6146 -7.6556 -7.6556 -4.6203 -4.6203 -4.2080 -4.2080 -4.0011 -4.0011 0.0470 0.0470 0.8963 0.8963 1.6358 1.6358 5.1063 5.1063 8.2379 8.2379 12.5211 12.5211 14.2841 14.2841 k = 0.0702 0.0814-0.0000 ( 3319 PWs) bands (ev): -47.4577 -47.4577 -22.4082 -22.4082 -19.5106 -19.5106 -19.3437 -19.3437 -19.3136 -19.3136 -17.6136 -17.6136 -7.6494 -7.6494 -4.6241 -4.6241 -4.2092 -4.2092 -3.9978 -3.9978 0.0436 0.0436 0.8905 0.8905 1.6287 1.6287 5.1006 5.1006 8.2281 8.2281 12.5730 12.5730 14.2779 14.2779 k = 0.0614 0.0712-0.0000 ( 3323 PWs) bands (ev): -47.4578 -47.4578 -22.4088 -22.4088 -19.5105 -19.5105 -19.3435 -19.3435 -19.3139 -19.3139 -17.6127 -17.6127 -7.6439 -7.6439 -4.6275 -4.6275 -4.2104 -4.2104 -3.9949 -3.9949 0.0405 0.0405 0.8854 0.8854 1.6223 1.6223 5.0956 5.0956 8.2196 8.2196 12.6210 12.6210 14.2708 14.2708 k = 0.0526 0.0610-0.0000 ( 3323 PWs) bands (ev): -47.4578 -47.4578 -22.4092 -22.4092 -19.5105 -19.5105 -19.3434 -19.3434 -19.3141 -19.3141 -17.6119 -17.6119 -7.6390 -7.6390 -4.6304 -4.6304 -4.2114 -4.2114 -3.9923 -3.9923 0.0379 0.0379 0.8809 0.8809 1.6166 1.6166 5.0911 5.0911 8.2123 8.2123 12.6645 12.6645 14.2633 14.2633 k = 0.0439 0.0508-0.0000 ( 3327 PWs) bands (ev): -47.4578 -47.4578 -22.4096 -22.4096 -19.5104 -19.5104 -19.3433 -19.3433 -19.3143 -19.3143 -17.6112 -17.6112 -7.6348 -7.6348 -4.6330 -4.6330 -4.2122 -4.2122 -3.9902 -3.9902 0.0356 0.0356 0.8771 0.8771 1.6118 1.6118 5.0874 5.0874 8.2062 8.2062 12.7028 12.7028 14.2558 14.2558 k = 0.0351 0.0407-0.0000 ( 3327 PWs) bands (ev): -47.4578 -47.4578 -22.4099 -22.4099 -19.5104 -19.5104 -19.3431 -19.3431 -19.3145 -19.3145 -17.6107 -17.6107 -7.6314 -7.6314 -4.6351 -4.6351 -4.2129 -4.2129 -3.9884 -3.9884 0.0337 0.0337 0.8740 0.8740 1.6077 1.6077 5.0843 5.0843 8.2012 8.2012 12.7354 12.7354 14.2487 14.2487 k = 0.0263 0.0305-0.0000 ( 3327 PWs) bands (ev): -47.4578 -47.4578 -22.4102 -22.4102 -19.5103 -19.5103 -19.3430 -19.3430 -19.3146 -19.3146 -17.6103 -17.6103 -7.6287 -7.6287 -4.6367 -4.6367 -4.2135 -4.2135 -3.9870 -3.9870 0.0323 0.0323 0.8716 0.8716 1.6046 1.6046 5.0819 5.0819 8.1974 8.1974 12.7614 12.7614 14.2427 14.2427 k = 0.0175 0.0203-0.0000 ( 3313 PWs) bands (ev): -47.4578 -47.4578 -22.4103 -22.4103 -19.5102 -19.5102 -19.3429 -19.3429 -19.3146 -19.3146 -17.6099 -17.6099 -7.6267 -7.6267 -4.6378 -4.6378 -4.2138 -4.2138 -3.9860 -3.9860 0.0312 0.0312 0.8699 0.8699 1.6023 1.6023 5.0802 5.0802 8.1947 8.1947 12.7805 12.7805 14.2380 14.2380 k = 0.0088 0.0102-0.0000 ( 3317 PWs) bands (ev): -47.4578 -47.4578 -22.4104 -22.4104 -19.5102 -19.5102 -19.3429 -19.3429 -19.3147 -19.3147 -17.6097 -17.6097 -7.6255 -7.6255 -4.6385 -4.6385 -4.2141 -4.2141 -3.9854 -3.9854 0.0306 0.0306 0.8688 0.8688 1.6009 1.6009 5.0791 5.0791 8.1931 8.1931 12.7921 12.7921 14.2350 14.2350 k = 0.0000 0.0000 0.0000 ( 3317 PWs) bands (ev): -47.4578 -47.4578 -22.4105 -22.4105 -19.5102 -19.5102 -19.3429 -19.3429 -19.3147 -19.3147 -17.6097 -17.6097 -7.6251 -7.6251 -4.6388 -4.6388 -4.2141 -4.2141 -3.9852 -3.9852 0.0304 0.0304 0.8685 0.8685 1.6005 1.6005 5.0788 5.0788 8.1925 8.1925 12.7960 12.7960 14.2340 14.2340 k = 0.0000 0.0000 0.0000 ( 3317 PWs) bands (ev): -47.4578 -47.4578 -22.4105 -22.4105 -19.5102 -19.5102 -19.3429 -19.3429 -19.3147 -19.3147 -17.6097 -17.6097 -7.6251 -7.6251 -4.6388 -4.6388 -4.2141 -4.2141 -3.9852 -3.9852 0.0304 0.0304 0.8685 0.8685 1.6005 1.6005 5.0788 5.0788 8.1925 8.1925 12.7960 12.7960 14.2340 14.2340 k = 0.0085-0.0073 0.0074 ( 3309 PWs) bands (ev): -47.4578 -47.4578 -22.4104 -22.4104 -19.5102 -19.5101 -19.3429 -19.3427 -19.3147 -19.3147 -17.6099 -17.6099 -7.6247 -7.6247 -4.6416 -4.6408 -4.2121 -4.2111 -3.9854 -3.9854 0.0306 0.0306 0.8666 0.8672 1.6009 1.6018 5.0792 5.0792 8.1940 8.1942 12.7970 12.7975 14.2202 14.2205 k = 0.0170-0.0147 0.0148 ( 3313 PWs) bands (ev): -47.4578 -47.4578 -22.4103 -22.4103 -19.5101 -19.5100 -19.3428 -19.3425 -19.3147 -19.3147 -17.6107 -17.6106 -7.6236 -7.6235 -4.6492 -4.6475 -4.2051 -4.2032 -3.9860 -3.9860 0.0311 0.0311 0.8616 0.8628 1.6031 1.6049 5.0805 5.0805 8.1987 8.1992 12.8003 12.8014 14.1832 14.1837 k = 0.0255-0.0220 0.0222 ( 3313 PWs) bands (ev): -47.4578 -47.4578 -22.4101 -22.4101 -19.5100 -19.5097 -19.3426 -19.3422 -19.3148 -19.3147 -17.6120 -17.6118 -7.6216 -7.6216 -4.6609 -4.6585 -4.1937 -4.1910 -3.9870 -3.9869 0.0320 0.0320 0.8535 0.8552 1.6070 1.6097 5.0826 5.0826 8.2066 8.2073 12.8059 12.8076 14.1310 14.1318 k = 0.0340-0.0293 0.0296 ( 3317 PWs) bands (ev): -47.4578 -47.4578 -22.4099 -22.4098 -19.5097 -19.5094 -19.3423 -19.3418 -19.3148 -19.3148 -17.6137 -17.6134 -7.6189 -7.6189 -4.6759 -4.6730 -4.1786 -4.1752 -3.9883 -3.9883 0.0332 0.0332 0.8425 0.8448 1.6125 1.6160 5.0856 5.0856 8.2177 8.2185 12.8133 12.8156 14.0702 14.0713 k = 0.0425-0.0366 0.0370 ( 3327 PWs) bands (ev): -47.4578 -47.4578 -22.4095 -22.4095 -19.5095 -19.5091 -19.3419 -19.3413 -19.3149 -19.3149 -17.6158 -17.6156 -7.6156 -7.6155 -4.6934 -4.6901 -4.1607 -4.1567 -3.9901 -3.9901 0.0347 0.0347 0.8289 0.8317 1.6196 1.6238 5.0894 5.0894 8.2317 8.2328 12.8222 12.8251 14.0049 14.0064 k = 0.0510-0.0440 0.0444 ( 3325 PWs) bands (ev): -47.4578 -47.4578 -22.4091 -22.4090 -19.5090 -19.5087 -19.3413 -19.3407 -19.3150 -19.3150 -17.6184 -17.6181 -7.6116 -7.6115 -4.7128 -4.7091 -4.1406 -4.1362 -3.9922 -3.9921 0.0366 0.0366 0.8129 0.8161 1.6280 1.6330 5.0940 5.0941 8.2488 8.2500 12.8319 12.8355 13.9377 13.9395 k = 0.0594-0.0513 0.0518 ( 3325 PWs) bands (ev): -47.4578 -47.4578 -22.4086 -22.4085 -19.5086 -19.5083 -19.3407 -19.3401 -19.3151 -19.3150 -17.6215 -17.6211 -7.6071 -7.6070 -4.7332 -4.7293 -4.1191 -4.1144 -3.9946 -3.9946 0.0388 0.0389 0.7949 0.7984 1.6377 1.6433 5.0995 5.0995 8.2686 8.2701 12.8416 12.8460 13.8701 13.8723 k = 0.0679-0.0586 0.0592 ( 3325 PWs) bands (ev): -47.4577 -47.4577 -22.4080 -22.4079 -19.5080 -19.5078 -19.3400 -19.3393 -19.3152 -19.3151 -17.6249 -17.6244 -7.6021 -7.6020 -4.7542 -4.7501 -4.0968 -4.0917 -3.9974 -3.9973 0.0414 0.0415 0.7751 0.7789 1.6484 1.6547 5.1056 5.1056 8.2911 8.2928 12.8503 12.8555 13.8035 13.8061 k = 0.0764-0.0659 0.0666 ( 3339 PWs) bands (ev): -47.4578 -47.4578 -22.4074 -22.4073 -19.5075 -19.5073 -19.3392 -19.3386 -19.3154 -19.3153 -17.6286 -17.6282 -7.5968 -7.5967 -4.7754 -4.7712 -4.0740 -4.0686 -4.0005 -4.0004 0.0443 0.0444 0.7537 0.7579 1.6602 1.6669 5.1125 5.1125 8.3162 8.3180 12.8567 12.8627 13.7387 13.7417 k = 0.0849-0.0733 0.0740 ( 3341 PWs) bands (ev): -47.4578 -47.4578 -22.4066 -22.4065 -19.5068 -19.5068 -19.3383 -19.3378 -19.3155 -19.3155 -17.6327 -17.6322 -7.5912 -7.5911 -4.7963 -4.7919 -4.0512 -4.0456 -4.0039 -4.0037 0.0475 0.0476 0.7314 0.7357 1.6727 1.6800 5.1201 5.1201 8.3437 8.3457 12.8594 12.8661 13.6765 13.6799 k = 0.0934-0.0806 0.0814 ( 3333 PWs) bands (ev): -47.4577 -47.4577 -22.4058 -22.4057 -19.5063 -19.5061 -19.3372 -19.3369 -19.3156 -19.3156 -17.6370 -17.6365 -7.5855 -7.5854 -4.8165 -4.8121 -4.0293 -4.0235 -4.0069 -4.0066 0.0511 0.0511 0.7082 0.7128 1.6861 1.6937 5.1284 5.1284 8.3734 8.3756 12.8567 12.8642 13.6174 13.6211 k = 0.1019-0.0879 0.0888 ( 3333 PWs) bands (ev): -47.4577 -47.4577 -22.4049 -22.4048 -19.5058 -19.5054 -19.3362 -19.3361 -19.3157 -19.3157 -17.6416 -17.6411 -7.5799 -7.5797 -4.8359 -4.8314 -4.0156 -4.0137 -4.0022 -3.9984 0.0550 0.0550 0.6846 0.6893 1.7001 1.7081 5.1373 5.1374 8.4052 8.4075 12.8471 12.8552 13.5614 13.5652 k = 0.1104-0.0952 0.0962 ( 3331 PWs) bands (ev): -47.4577 -47.4577 -22.4040 -22.4038 -19.5053 -19.5046 -19.3352 -19.3350 -19.3159 -19.3159 -17.6464 -17.6459 -7.5743 -7.5742 -4.8541 -4.8496 -4.0177 -4.0172 -3.9830 -3.9777 0.0591 0.0592 0.6609 0.6657 1.7146 1.7230 5.1468 5.1469 8.4389 8.4413 12.8294 12.8379 13.5081 13.5117 k = 0.1189-0.1026 0.1036 ( 3329 PWs) bands (ev): -47.4577 -47.4577 -22.4029 -22.4028 -19.5049 -19.5038 -19.3343 -19.3339 -19.3161 -19.3160 -17.6513 -17.6508 -7.5691 -7.5690 -4.8710 -4.8665 -4.0220 -4.0218 -3.9628 -3.9571 0.0636 0.0636 0.6374 0.6423 1.7295 1.7382 5.1569 5.1569 8.4743 8.4768 12.8028 12.8115 13.4560 13.4593 k = 0.1274-0.1099 0.1110 ( 3321 PWs) bands (ev): -47.4577 -47.4577 -22.4018 -22.4017 -19.5044 -19.5030 -19.3334 -19.3326 -19.3162 -19.3161 -17.6564 -17.6559 -7.5642 -7.5641 -4.8863 -4.8818 -4.0268 -4.0266 -3.9434 -3.9376 0.0683 0.0684 0.6143 0.6194 1.7449 1.7539 5.1675 5.1675 8.5112 8.5139 12.7673 12.7760 13.4035 13.4061 k = 0.1359-0.1172 0.1184 ( 3333 PWs) bands (ev): -47.4577 -47.4577 -22.4006 -22.4005 -19.5042 -19.5023 -19.3327 -19.3315 -19.3164 -19.3163 -17.6615 -17.6610 -7.5600 -7.5599 -4.8999 -4.8954 -4.0320 -4.0318 -3.9253 -3.9194 0.0733 0.0734 0.5921 0.5972 1.7605 1.7697 5.1785 5.1785 8.5495 8.5523 12.7235 12.7319 13.3485 13.3505 k = 0.1444-0.1245 0.1258 ( 3329 PWs) bands (ev): -47.4577 -47.4577 -22.3994 -22.3992 -19.5039 -19.5015 -19.3320 -19.3304 -19.3166 -19.3164 -17.6667 -17.6662 -7.5564 -7.5563 -4.9116 -4.9072 -4.0374 -4.0372 -3.9084 -3.9024 0.0787 0.0787 0.5709 0.5761 1.7764 1.7859 5.1899 5.1899 8.5890 8.5919 12.6725 12.6805 13.2898 13.2910 k = 0.1529-0.1319 0.1332 ( 3325 PWs) bands (ev): -47.4577 -47.4577 -22.3981 -22.3979 -19.5037 -19.5008 -19.3314 -19.3292 -19.3168 -19.3165 -17.6718 -17.6713 -7.5536 -7.5536 -4.9213 -4.9169 -4.0430 -4.0429 -3.8930 -3.8870 0.0842 0.0843 0.5512 0.5564 1.7924 1.8021 5.2017 5.2017 8.6296 8.6325 12.6153 12.6228 13.2269 13.2274 k = 0.1614-0.1392 0.1406 ( 3329 PWs) bands (ev): -47.4577 -47.4577 -22.3967 -22.3965 -19.5036 -19.5001 -19.3309 -19.3282 -19.3169 -19.3167 -17.6768 -17.6764 -7.5518 -7.5518 -4.9289 -4.9245 -4.0488 -4.0487 -3.8792 -3.8731 0.0901 0.0901 0.5330 0.5383 1.8086 1.8185 5.2138 5.2138 8.6711 8.6740 12.5531 12.5600 13.1600 13.1600 k = 0.1699-0.1465 0.1480 ( 3333 PWs) bands (ev): -47.4577 -47.4577 -22.3952 -22.3950 -19.5035 -19.4994 -19.3306 -19.3273 -19.3171 -19.3168 -17.6817 -17.6814 -7.5511 -7.5510 -4.9343 -4.9300 -4.0548 -4.0547 -3.8671 -3.8610 0.0961 0.0961 0.5167 0.5221 1.8248 1.8349 5.2261 5.2262 8.7133 8.7163 12.4867 12.4930 13.0896 13.0902 k = 0.1783-0.1538 0.1554 ( 3333 PWs) bands (ev): -47.4576 -47.4576 -22.3937 -22.3935 -19.5036 -19.4988 -19.3304 -19.3265 -19.3172 -19.3168 -17.6865 -17.6862 -7.5515 -7.5514 -4.9374 -4.9331 -4.0610 -4.0609 -3.8567 -3.8506 0.1023 0.1024 0.5026 0.5080 1.8409 1.8512 5.2387 5.2388 8.7562 8.7592 12.4169 12.4227 13.0174 13.0184 k = 0.1868-0.1612 0.1628 ( 3337 PWs) bands (ev): -47.4576 -47.4576 -22.3921 -22.3919 -19.5038 -19.4983 -19.3304 -19.3259 -19.3173 -19.3168 -17.6910 -17.6908 -7.5531 -7.5530 -4.9382 -4.9339 -4.0673 -4.0672 -3.8481 -3.8420 0.1088 0.1089 0.4907 0.4962 1.8570 1.8675 5.2515 5.2515 8.7996 8.8027 12.3444 12.3496 12.9443 12.9457 k = 0.1953-0.1685 0.1702 ( 3339 PWs) bands (ev): -47.4576 -47.4576 -22.3905 -22.3903 -19.5040 -19.4979 -19.3306 -19.3254 -19.3174 -19.3167 -17.6953 -17.6951 -7.5560 -7.5559 -4.9366 -4.9325 -4.0737 -4.0736 -3.8413 -3.8352 0.1155 0.1156 0.4813 0.4869 1.8729 1.8835 5.2643 5.2643 8.8433 8.8465 12.2696 12.2743 12.8713 12.8731 k = 0.2038-0.1758 0.1776 ( 3335 PWs) bands (ev): -47.4576 -47.4576 -22.3888 -22.3886 -19.5043 -19.4974 -19.3309 -19.3251 -19.3174 -19.3166 -17.6993 -17.6992 -7.5603 -7.5601 -4.9328 -4.9287 -4.0802 -4.0801 -3.8364 -3.8303 0.1223 0.1224 0.4746 0.4802 1.8886 1.8994 5.2772 5.2773 8.8874 8.8905 12.1928 12.1970 12.7992 12.8012 k = 0.2123-0.1831 0.1850 ( 3335 PWs) bands (ev): -47.4576 -47.4576 -22.3871 -22.3868 -19.5048 -19.4971 -19.3314 -19.3250 -19.3175 -19.3165 -17.7030 -17.7030 -7.5659 -7.5657 -4.9266 -4.9226 -4.0867 -4.0867 -3.8333 -3.8272 0.1294 0.1294 0.4706 0.4764 1.9041 1.9149 5.2902 5.2902 8.9317 8.9348 12.1145 12.1183 12.7286 12.7308 k = 0.2208-0.1905 0.1924 ( 3331 PWs) bands (ev): -47.4576 -47.4576 -22.3853 -22.3850 -19.5053 -19.4969 -19.3321 -19.3250 -19.3175 -19.3163 -17.7065 -17.7064 -7.5728 -7.5726 -4.9182 -4.9142 -4.0933 -4.0933 -3.8320 -3.8260 0.1366 0.1366 0.4695 0.4754 1.9191 1.9302 5.3031 5.3031 8.9762 8.9793 12.0349 12.0384 12.6598 12.6623 k = 0.2293-0.1978 0.1998 ( 3331 PWs) bands (ev): -47.4576 -47.4576 -22.3835 -22.3832 -19.5059 -19.4967 -19.3331 -19.3253 -19.3175 -19.3162 -17.7096 -17.7095 -7.5811 -7.5809 -4.9077 -4.9037 -4.1000 -4.0999 -3.8325 -3.8265 0.1438 0.1439 0.4714 0.4773 1.9338 1.9449 5.3159 5.3159 9.0207 9.0238 11.9544 11.9575 12.5933 12.5960 k = 0.2378-0.2051 0.2072 ( 3327 PWs) bands (ev): -47.4575 -47.4575 -22.3816 -22.3813 -19.5066 -19.4967 -19.3341 -19.3256 -19.3175 -19.3161 -17.7123 -17.7121 -7.5906 -7.5904 -4.8951 -4.8912 -4.1067 -4.1066 -3.8347 -3.8288 0.1513 0.1513 0.4763 0.4823 1.9479 1.9592 5.3286 5.3286 9.0653 9.0683 11.8732 11.8760 12.5292 12.5320 k = 0.2463-0.2124 0.2146 ( 3327 PWs) bands (ev): -47.4575 -47.4575 -22.3797 -22.3794 -19.5074 -19.4968 -19.3354 -19.3261 -19.3175 -19.3160 -17.7147 -17.7144 -7.6015 -7.6012 -4.8805 -4.8767 -4.1133 -4.1132 -3.8386 -3.8327 0.1588 0.1588 0.4841 0.4903 1.9615 1.9729 5.3411 5.3411 9.1099 9.1129 11.7916 11.7942 12.4677 12.4706 k = 0.2548-0.2198 0.2220 ( 3319 PWs) bands (ev): -47.4575 -47.4575 -22.3777 -22.3775 -19.5083 -19.4969 -19.3367 -19.3267 -19.3175 -19.3160 -17.7166 -17.7162 -7.6134 -7.6131 -4.8642 -4.8604 -4.1199 -4.1199 -3.8440 -3.8382 0.1663 0.1664 0.4951 0.5014 1.9744 1.9859 5.3534 5.3535 9.1545 9.1574 11.7100 11.7123 12.4088 12.4117 k = 0.2633-0.2271 0.2294 ( 3315 PWs) bands (ev): -47.4575 -47.4575 -22.3758 -22.3755 -19.5093 -19.4972 -19.3383 -19.3275 -19.3176 -19.3160 -17.7181 -17.7176 -7.6265 -7.6262 -4.8462 -4.8424 -4.1265 -4.1264 -3.8510 -3.8452 0.1740 0.1740 0.5090 0.5155 1.9866 1.9982 5.3655 5.3655 9.1990 9.2018 11.6284 11.6306 12.3525 12.3554 k = 0.2718-0.2344 0.2368 ( 3327 PWs) bands (ev): -47.4575 -47.4575 -22.3738 -22.3735 -19.5104 -19.4977 -19.3400 -19.3285 -19.3177 -19.3162 -17.7193 -17.7187 -7.6406 -7.6402 -4.8267 -4.8230 -4.1330 -4.1330 -3.8593 -3.8537 0.1816 0.1816 0.5258 0.5324 1.9980 2.0097 5.3772 5.3773 9.2435 9.2462 11.5473 11.5493 12.2988 12.3016 k = 0.2803-0.2417 0.2442 ( 3329 PWs) bands (ev): -47.4575 -47.4575 -22.3718 -22.3715 -19.5116 -19.4983 -19.3418 -19.3295 -19.3178 -19.3164 -17.7200 -17.7193 -7.6555 -7.6551 -4.8059 -4.8022 -4.1395 -4.1394 -3.8689 -3.8633 0.1892 0.1892 0.5455 0.5523 2.0085 2.0203 5.3887 5.3888 9.2880 9.2906 11.4669 11.4688 12.2476 12.2504 k = 0.2887-0.2491 0.2516 ( 3333 PWs) bands (ev): -47.4575 -47.4575 -22.3698 -22.3695 -19.5129 -19.4990 -19.3437 -19.3307 -19.3180 -19.3166 -17.7203 -17.7196 -7.6712 -7.6708 -4.7839 -4.7803 -4.1458 -4.1458 -3.8796 -3.8741 0.1968 0.1968 0.5680 0.5749 2.0181 2.0300 5.3999 5.3999 9.3324 9.3350 11.3873 11.3891 12.1989 12.2016 k = 0.2972-0.2564 0.2590 ( 3329 PWs) bands (ev): -47.4575 -47.4575 -22.3679 -22.3676 -19.5142 -19.4998 -19.3457 -19.3320 -19.3181 -19.3168 -17.7203 -17.7195 -7.6876 -7.6872 -4.7610 -4.7574 -4.1520 -4.1520 -3.8913 -3.8859 0.2044 0.2044 0.5931 0.6002 2.0267 2.0386 5.4107 5.4107 9.3769 9.3794 11.3089 11.3106 12.1526 12.1551 k = 0.3057-0.2637 0.2664 ( 3329 PWs) bands (ev): -47.4575 -47.4575 -22.3659 -22.3656 -19.5156 -19.5007 -19.3477 -19.3334 -19.3182 -19.3171 -17.7198 -17.7190 -7.7045 -7.7040 -4.7373 -4.7338 -4.1581 -4.1580 -3.9039 -3.8986 0.2119 0.2119 0.6207 0.6279 2.0342 2.0462 5.4211 5.4211 9.4215 9.4238 11.2318 11.2335 12.1085 12.1110 k = 0.3142-0.2710 0.2738 ( 3329 PWs) bands (ev): -47.4574 -47.4574 -22.3639 -22.3636 -19.5171 -19.5018 -19.3498 -19.3350 -19.3184 -19.3174 -17.7190 -17.7181 -7.7217 -7.7213 -4.7130 -4.7095 -4.1641 -4.1640 -3.9172 -3.9120 0.2193 0.2193 0.6507 0.6580 2.0406 2.0526 5.4311 5.4311 9.4662 9.4684 11.1562 11.1579 12.0667 12.0689 k = 0.3227-0.2784 0.2812 ( 3325 PWs) bands (ev): -47.4574 -47.4574 -22.3620 -22.3616 -19.5185 -19.5030 -19.3519 -19.3366 -19.3185 -19.3176 -17.7179 -17.7170 -7.7393 -7.7388 -4.6883 -4.6848 -4.1699 -4.1698 -3.9311 -3.9259 0.2266 0.2266 0.6828 0.6903 2.0458 2.0578 5.4406 5.4407 9.5111 9.5132 11.0824 11.0840 12.0270 12.0290 k = 0.3312-0.2857 0.2886 ( 3325 PWs) bands (ev): -47.4574 -47.4574 -22.3600 -22.3597 -19.5201 -19.5044 -19.3540 -19.3384 -19.3187 -19.3179 -17.7166 -17.7156 -7.7570 -7.7565 -4.6633 -4.6598 -4.1755 -4.1754 -3.9454 -3.9403 0.2337 0.2337 0.7169 0.7246 2.0497 2.0617 5.4498 5.4498 9.5563 9.5582 11.0105 11.0121 11.9892 11.9909 k = 0.3397-0.2930 0.2960 ( 3331 PWs) bands (ev): -47.4574 -47.4574 -22.3582 -22.3579 -19.5216 -19.5059 -19.3560 -19.3403 -19.3189 -19.3182 -17.7149 -17.7139 -7.7747 -7.7742 -4.6383 -4.6349 -4.1810 -4.1809 -3.9600 -3.9550 0.2407 0.2407 0.7528 0.7606 2.0522 2.0643 5.4585 5.4585 9.6018 9.6035 10.9406 10.9422 11.9532 11.9547 k = 0.3482-0.3003 0.3034 ( 3327 PWs) bands (ev): -47.4574 -47.4574 -22.3563 -22.3560 -19.5232 -19.5075 -19.3580 -19.3422 -19.3190 -19.3184 -17.7131 -17.7120 -7.7923 -7.7918 -4.6134 -4.6100 -4.1862 -4.1861 -3.9748 -3.9699 0.2475 0.2475 0.7902 0.7982 2.0534 2.0655 5.4667 5.4667 9.6476 9.6492 10.8731 10.8747 11.9189 11.9200 k = 0.3567-0.3077 0.3108 ( 3327 PWs) bands (ev): -47.4574 -47.4574 -22.3545 -22.3542 -19.5248 -19.5092 -19.3600 -19.3441 -19.3192 -19.3187 -17.7110 -17.7100 -7.8096 -7.8092 -4.5888 -4.5854 -4.1912 -4.1911 -3.9896 -3.9849 0.2541 0.2541 0.8290 0.8371 2.0532 2.0653 5.4745 5.4745 9.6940 9.6954 10.8081 10.8097 11.8860 11.8868 k = 0.3652-0.3150 0.3182 ( 3327 PWs) bands (ev): -47.4574 -47.4574 -22.3528 -22.3525 -19.5263 -19.5110 -19.3618 -19.3461 -19.3193 -19.3189 -17.7088 -17.7078 -7.8267 -7.8262 -4.5646 -4.5612 -4.1959 -4.1958 -4.0044 -3.9997 0.2605 0.2605 0.8688 0.8770 2.0516 2.0636 5.4818 5.4818 9.7408 9.7420 10.7457 10.7473 11.8543 11.8546 k = 0.3737-0.3223 0.3256 ( 3313 PWs) bands (ev): -47.4573 -47.4573 -22.3511 -22.3508 -19.5278 -19.5128 -19.3634 -19.3481 -19.3194 -19.3191 -17.7065 -17.7054 -7.8432 -7.8428 -4.5410 -4.5376 -4.2005 -4.2004 -4.0189 -4.0144 0.2666 0.2666 0.9095 0.9178 2.0486 2.0605 5.4886 5.4886 9.7881 9.7892 10.6862 10.6878 11.8231 11.8233 k = 0.3822-0.3297 0.3330 ( 3318 PWs) bands (ev): -47.4573 -47.4573 -22.3495 -22.3492 -19.5293 -19.5148 -19.3651 -19.3501 -19.3196 -19.3193 -17.7041 -17.7031 -7.8592 -7.8588 -4.5182 -4.5148 -4.2048 -4.2047 -4.0332 -4.0287 0.2724 0.2724 0.9507 0.9590 2.0441 2.0559 5.4949 5.4949 9.8361 9.8369 10.6298 10.6315 11.7917 11.7925 k = 0.3907-0.3370 0.3404 ( 3318 PWs) bands (ev): -47.4573 -47.4573 -22.3479 -22.3477 -19.5307 -19.5168 -19.3665 -19.3521 -19.3197 -19.3195 -17.7016 -17.7007 -7.8746 -7.8742 -4.4962 -4.4929 -4.2088 -4.2087 -4.0470 -4.0427 0.2779 0.2780 0.9922 1.0005 2.0383 2.0499 5.5008 5.5008 9.8845 9.8852 10.5768 10.5786 11.7594 11.7608 k = 0.3991-0.3443 0.3478 ( 3318 PWs) bands (ev): -47.4573 -47.4573 -22.3465 -22.3463 -19.5321 -19.5188 -19.3678 -19.3541 -19.3199 -19.3197 -17.6992 -17.6983 -7.8891 -7.8888 -4.4751 -4.4719 -4.2126 -4.2125 -4.0603 -4.0561 0.2831 0.2831 1.0336 1.0419 2.0311 2.0425 5.5062 5.5062 9.9334 9.9338 10.5275 10.5293 11.7246 11.7268 k = 0.4076-0.3516 0.3552 ( 3318 PWs) bands (ev): -47.4573 -47.4573 -22.3451 -22.3449 -19.5333 -19.5209 -19.3690 -19.3560 -19.3200 -19.3199 -17.6968 -17.6959 -7.9029 -7.9025 -4.4552 -4.4520 -4.2161 -4.2160 -4.0730 -4.0690 0.2880 0.2880 1.0745 1.0828 2.0227 2.0338 5.5111 5.5111 9.9825 9.9827 10.4823 10.4843 11.6851 11.6881 k = 0.4161-0.3590 0.3626 ( 3302 PWs) bands (ev): -47.4573 -47.4573 -22.3439 -22.3437 -19.5344 -19.5228 -19.3699 -19.3578 -19.3201 -19.3200 -17.6945 -17.6936 -7.9157 -7.9153 -4.4365 -4.4333 -4.2193 -4.2192 -4.0850 -4.0812 0.2925 0.2925 1.1148 1.1230 2.0131 2.0239 5.5156 5.5156 10.0312 10.0314 10.4419 10.4439 11.6379 11.6415 k = 0.4246-0.3663 0.3700 ( 3298 PWs) bands (ev): -47.4573 -47.4573 -22.3427 -22.3425 -19.5354 -19.5247 -19.3707 -19.3595 -19.3202 -19.3201 -17.6922 -17.6915 -7.9274 -7.9271 -4.4191 -4.4160 -4.2222 -4.2221 -4.0963 -4.0926 0.2966 0.2966 1.1539 1.1619 2.0026 2.0130 5.5196 5.5196 10.0785 10.0790 10.4071 10.4094 11.5806 11.5842 k = 0.4331-0.3736 0.3774 ( 3304 PWs) bands (ev): -47.4573 -47.4573 -22.3417 -22.3415 -19.5363 -19.5266 -19.3714 -19.3613 -19.3203 -19.3203 -17.6902 -17.6895 -7.9382 -7.9379 -4.4031 -4.4002 -4.2249 -4.2247 -4.1067 -4.1032 0.3004 0.3004 1.1914 1.1992 1.9914 2.0012 5.5232 5.5232 10.1226 10.1236 10.3801 10.3826 11.5132 11.5165 k = 0.4416-0.3809 0.3848 ( 3302 PWs) bands (ev): -47.4573 -47.4573 -22.3407 -22.3406 -19.5370 -19.5285 -19.3718 -19.3629 -19.3204 -19.3204 -17.6883 -17.6877 -7.9477 -7.9475 -4.3886 -4.3859 -4.2272 -4.2271 -4.1162 -4.1129 0.3037 0.3037 1.2269 1.2342 1.9798 1.9890 5.5263 5.5263 10.1598 10.1612 10.3643 10.3672 11.4389 11.4416 k = 0.4501-0.3883 0.3922 ( 3306 PWs) bands (ev): -47.4573 -47.4573 -22.3399 -22.3398 -19.5376 -19.5302 -19.3722 -19.3644 -19.3205 -19.3205 -17.6866 -17.6861 -7.9561 -7.9559 -4.3757 -4.3731 -4.2292 -4.2291 -4.1246 -4.1217 0.3065 0.3065 1.2597 1.2665 1.9682 1.9766 5.5290 5.5290 10.1844 10.1860 10.3655 10.3684 11.3620 11.3642 k = 0.4586-0.3956 0.3996 ( 3306 PWs) bands (ev): -47.4573 -47.4573 -22.3392 -22.3391 -19.5380 -19.5318 -19.3723 -19.3658 -19.3206 -19.3206 -17.6851 -17.6847 -7.9633 -7.9631 -4.3645 -4.3622 -4.2310 -4.2308 -4.1319 -4.1294 0.3090 0.3090 1.2892 1.2953 1.9571 1.9645 5.5312 5.5312 10.1935 10.1948 10.3860 10.3885 11.2865 11.2881 k = 0.4671-0.4029 0.4070 ( 3300 PWs) bands (ev): -47.4573 -47.4573 -22.3386 -22.3385 -19.5382 -19.5332 -19.3723 -19.3670 -19.3206 -19.3206 -17.6839 -17.6835 -7.9692 -7.9690 -4.3550 -4.3531 -4.2324 -4.2322 -4.1380 -4.1359 0.3110 0.3110 1.3149 1.3201 1.9470 1.9533 5.5331 5.5331 10.1919 10.1928 10.4194 10.4213 11.2156 11.2169 k = 0.4756-0.4102 0.4144 ( 3296 PWs) bands (ev): -47.4573 -47.4573 -22.3382 -22.3381 -19.5381 -19.5344 -19.3721 -19.3682 -19.3206 -19.3206 -17.6829 -17.6826 -7.9737 -7.9736 -4.3475 -4.3460 -4.2334 -4.2333 -4.1428 -4.1411 0.3126 0.3126 1.3359 1.3400 1.9385 1.9434 5.5345 5.5345 10.1862 10.1868 10.4567 10.4581 11.1530 11.1539 k = 0.4841-0.4176 0.4218 ( 3298 PWs) bands (ev): -47.4573 -47.4573 -22.3379 -22.3378 -19.5380 -19.5355 -19.3718 -19.3692 -19.3207 -19.3207 -17.6822 -17.6820 -7.9769 -7.9769 -4.3421 -4.3410 -4.2342 -4.2341 -4.1462 -4.1450 0.3137 0.3137 1.3516 1.3544 1.9323 1.9357 5.5355 5.5355 10.1806 10.1810 10.4903 10.4912 11.1029 11.1035 k = 0.4841-0.4176 0.4218 ( 3298 PWs) bands (ev): -47.4573 -47.4573 -22.3379 -22.3378 -19.5380 -19.5355 -19.3718 -19.3692 -19.3207 -19.3207 -17.6822 -17.6820 -7.9769 -7.9769 -4.3421 -4.3410 -4.2342 -4.2341 -4.1462 -4.1450 0.3137 0.3137 1.3516 1.3544 1.9323 1.9357 5.5355 5.5355 10.1806 10.1810 10.4903 10.4912 11.1029 11.1035 k = 0.4845-0.4053 0.4167 ( 3297 PWs) bands (ev): -47.4573 -47.4573 -22.3381 -22.3381 -19.5381 -19.5348 -19.3720 -19.3685 -19.3206 -19.3206 -17.6826 -17.6824 -7.9748 -7.9747 -4.3457 -4.3443 -4.2336 -4.2335 -4.1440 -4.1425 0.3129 0.3129 1.3412 1.3449 1.9363 1.9407 5.5347 5.5347 10.1813 10.1818 10.4688 10.4701 11.1369 11.1377 k = 0.4849-0.3930 0.4116 ( 3301 PWs) bands (ev): -47.4573 -47.4573 -22.3385 -22.3384 -19.5381 -19.5339 -19.3721 -19.3677 -19.3206 -19.3206 -17.6831 -17.6828 -7.9718 -7.9717 -4.3507 -4.3490 -4.2327 -4.2326 -4.1411 -4.1393 0.3116 0.3116 1.3278 1.3323 1.9413 1.9467 5.5333 5.5333 10.1766 10.1773 10.4461 10.4476 11.1800 11.1810 k = 0.4853-0.3807 0.4065 ( 3300 PWs) bands (ev): -47.4573 -47.4573 -22.3390 -22.3389 -19.5380 -19.5329 -19.3721 -19.3668 -19.3205 -19.3205 -17.6837 -17.6834 -7.9681 -7.9680 -4.3568 -4.3549 -4.2315 -4.2314 -4.1375 -4.1354 0.3099 0.3099 1.3118 1.3170 1.9472 1.9535 5.5314 5.5314 10.1669 10.1678 10.4230 10.4249 11.2308 11.2320 k = 0.4857-0.3684 0.4014 ( 3307 PWs) bands (ev): -47.4573 -47.4573 -22.3397 -22.3396 -19.5378 -19.5319 -19.3720 -19.3659 -19.3204 -19.3204 -17.6844 -17.6840 -7.9636 -7.9635 -4.3642 -4.3621 -4.2299 -4.2298 -4.1332 -4.1308 0.3078 0.3078 1.2933 1.2991 1.9536 1.9607 5.5290 5.5290 10.1530 10.1540 10.4003 10.4024 11.2885 11.2898 k = 0.4861-0.3561 0.3963 ( 3307 PWs) bands (ev): -47.4573 -47.4573 -22.3405 -22.3403 -19.5374 -19.5307 -19.3718 -19.3648 -19.3202 -19.3202 -17.6852 -17.6847 -7.9584 -7.9582 -4.3729 -4.3706 -4.2281 -4.2279 -4.1281 -4.1255 0.3052 0.3052 1.2727 1.2790 1.9603 1.9681 5.5260 5.5261 10.1356 10.1368 10.3779 10.3803 11.3523 11.3536 k = 0.4865-0.3438 0.3912 ( 3304 PWs) bands (ev): -47.4573 -47.4573 -22.3414 -22.3412 -19.5369 -19.5294 -19.3714 -19.3637 -19.3200 -19.3200 -17.6860 -17.6855 -7.9524 -7.9521 -4.3828 -4.3804 -4.2259 -4.2257 -4.1222 -4.1194 0.3023 0.3023 1.2503 1.2571 1.9672 1.9755 5.5226 5.5227 10.1157 10.1170 10.3561 10.3587 11.4213 11.4228 k = 0.4869-0.3315 0.3861 ( 3305 PWs) bands (ev): -47.4573 -47.4573 -22.3424 -22.3422 -19.5363 -19.5281 -19.3710 -19.3625 -19.3198 -19.3197 -17.6869 -17.6863 -7.9456 -7.9454 -4.3939 -4.3915 -4.2234 -4.2233 -4.1156 -4.1127 0.2989 0.2990 1.2265 1.2335 1.9740 1.9827 5.5188 5.5188 10.0940 10.0954 10.3349 10.3377 11.4951 11.4966 k = 0.4873-0.3192 0.3810 ( 3302 PWs) bands (ev): -47.4573 -47.4573 -22.3435 -22.3434 -19.5355 -19.5266 -19.3704 -19.3612 -19.3196 -19.3194 -17.6879 -17.6872 -7.9382 -7.9379 -4.4063 -4.4038 -4.2207 -4.2205 -4.1083 -4.1053 0.2952 0.2952 1.2014 1.2086 1.9805 1.9896 5.5145 5.5145 10.0712 10.0727 10.3143 10.3172 11.5729 11.5743 k = 0.4877-0.3069 0.3759 ( 3306 PWs) bands (ev): -47.4573 -47.4573 -22.3448 -22.3446 -19.5347 -19.5252 -19.3697 -19.3599 -19.3194 -19.3192 -17.6889 -17.6882 -7.9300 -7.9298 -4.4198 -4.4173 -4.2177 -4.2176 -4.1003 -4.0972 0.2911 0.2912 1.1753 1.1827 1.9866 1.9960 5.5098 5.5098 10.0478 10.0494 10.2945 10.2976 11.6540 11.6554 k = 0.4881-0.2946 0.3708 ( 3308 PWs) bands (ev): -47.4573 -47.4573 -22.3461 -22.3459 -19.5338 -19.5237 -19.3689 -19.3586 -19.3191 -19.3188 -17.6900 -17.6892 -7.9213 -7.9210 -4.4344 -4.4320 -4.2144 -4.2143 -4.0916 -4.0885 0.2868 0.2868 1.1484 1.1559 1.9921 2.0018 5.5047 5.5047 10.0240 10.0256 10.2758 10.2790 11.7377 11.7388 k = 0.4885-0.2823 0.3657 ( 3309 PWs) bands (ev): -47.4573 -47.4573 -22.3475 -22.3474 -19.5327 -19.5222 -19.3680 -19.3572 -19.3188 -19.3184 -17.6911 -17.6903 -7.9118 -7.9115 -4.4502 -4.4478 -4.2110 -4.2109 -4.0823 -4.0792 0.2821 0.2821 1.1209 1.1285 1.9970 2.0069 5.4993 5.4993 10.0000 10.0016 10.2584 10.2616 11.8229 11.8238 k = 0.4889-0.2700 0.3606 ( 3307 PWs) bands (ev): -47.4573 -47.4573 -22.3490 -22.3489 -19.5316 -19.5206 -19.3669 -19.3557 -19.3185 -19.3180 -17.6923 -17.6915 -7.9018 -7.9015 -4.4669 -4.4646 -4.2073 -4.2072 -4.0723 -4.0693 0.2771 0.2771 1.0931 1.1007 2.0013 2.0112 5.4936 5.4936 9.9760 9.9776 10.2425 10.2458 11.9087 11.9092 k = 0.4893-0.2577 0.3555 ( 3307 PWs) bands (ev): -47.4573 -47.4573 -22.3506 -22.3504 -19.5304 -19.5190 -19.3657 -19.3542 -19.3181 -19.3176 -17.6935 -17.6927 -7.8913 -7.8909 -4.4846 -4.4824 -4.2034 -4.2033 -4.0619 -4.0589 0.2719 0.2719 1.0651 1.0727 2.0048 2.0148 5.4876 5.4876 9.9520 9.9535 10.2284 10.2317 11.9940 11.9940 k = 0.4896-0.2455 0.3504 ( 3307 PWs) bands (ev): -47.4573 -47.4573 -22.3523 -22.3521 -19.5291 -19.5174 -19.3645 -19.3527 -19.3178 -19.3171 -17.6948 -17.6939 -7.8802 -7.8798 -4.5033 -4.5011 -4.1994 -4.1993 -4.0510 -4.0481 0.2664 0.2664 1.0370 1.0445 2.0075 2.0175 5.4813 5.4814 9.9280 9.9295 10.2162 10.2194 12.0772 12.0779 k = 0.4900-0.2332 0.3453 ( 3313 PWs) bands (ev): -47.4574 -47.4574 -22.3540 -22.3538 -19.5278 -19.5158 -19.3631 -19.3512 -19.3175 -19.3167 -17.6960 -17.6951 -7.8686 -7.8682 -4.5227 -4.5206 -4.1952 -4.1951 -4.0397 -4.0368 0.2607 0.2607 1.0090 1.0164 2.0095 2.0194 5.4749 5.4749 9.9042 9.9055 10.2060 10.2091 12.1582 12.1595 k = 0.4904-0.2209 0.3402 ( 3301 PWs) bands (ev): -47.4573 -47.4573 -22.3557 -22.3555 -19.5264 -19.5142 -19.3617 -19.3497 -19.3170 -19.3161 -17.6973 -17.6964 -7.8566 -7.8562 -4.5427 -4.5408 -4.1908 -4.1908 -4.0280 -4.0252 0.2549 0.2549 0.9813 0.9886 2.0107 2.0206 5.4684 5.4684 9.8805 9.8817 10.1978 10.2009 12.2365 12.2385 k = 0.4908-0.2086 0.3351 ( 3305 PWs) bands (ev): -47.4574 -47.4574 -22.3575 -22.3573 -19.5250 -19.5127 -19.3601 -19.3482 -19.3167 -19.3156 -17.6987 -17.6977 -7.8442 -7.8438 -4.5634 -4.5616 -4.1864 -4.1864 -4.0160 -4.0133 0.2489 0.2489 0.9539 0.9610 2.0112 2.0210 5.4617 5.4617 9.8570 9.8581 10.1918 10.1947 12.3123 12.3149 k = 0.4912-0.1963 0.3300 ( 3310 PWs) bands (ev): -47.4574 -47.4574 -22.3593 -22.3591 -19.5236 -19.5112 -19.3586 -19.3467 -19.3163 -19.3151 -17.7000 -17.6991 -7.8315 -7.8311 -4.5847 -4.5829 -4.1819 -4.1819 -4.0038 -4.0012 0.2428 0.2429 0.9269 0.9339 2.0111 2.0207 5.4550 5.4550 9.8339 9.8348 10.1877 10.1906 12.3856 12.3888 k = 0.4916-0.1840 0.3249 ( 3308 PWs) bands (ev): -47.4574 -47.4574 -22.3611 -22.3609 -19.5221 -19.5097 -19.3569 -19.3452 -19.3159 -19.3145 -17.7013 -17.7004 -7.8185 -7.8181 -4.6062 -4.6046 -4.1774 -4.1773 -3.9914 -3.9889 0.2367 0.2367 0.9006 0.9074 2.0102 2.0197 5.4482 5.4482 9.8111 9.8119 10.1856 10.1883 12.4568 12.4605 k = 0.4920-0.1717 0.3198 ( 3315 PWs) bands (ev): -47.4574 -47.4574 -22.3629 -22.3627 -19.5206 -19.5083 -19.3552 -19.3437 -19.3156 -19.3140 -17.7027 -17.7017 -7.8053 -7.8049 -4.6281 -4.6266 -4.1728 -4.1728 -3.9790 -3.9766 0.2305 0.2305 0.8749 0.8815 2.0088 2.0180 5.4415 5.4415 9.7888 9.7895 10.1852 10.1878 12.5261 12.5301 k = 0.4924-0.1594 0.3147 ( 3315 PWs) bands (ev): -47.4574 -47.4574 -22.3647 -22.3645 -19.5191 -19.5069 -19.3534 -19.3423 -19.3152 -19.3134 -17.7040 -17.7031 -7.7920 -7.7916 -4.6501 -4.6487 -4.1683 -4.1682 -3.9666 -3.9643 0.2243 0.2243 0.8500 0.8564 2.0069 2.0158 5.4348 5.4348 9.7670 9.7676 10.1865 10.1889 12.5936 12.5979 k = 0.4928-0.1471 0.3096 ( 3313 PWs) bands (ev): -47.4574 -47.4574 -22.3665 -22.3663 -19.5176 -19.5057 -19.3516 -19.3409 -19.3148 -19.3128 -17.7053 -17.7044 -7.7786 -7.7782 -4.6722 -4.6708 -4.1637 -4.1637 -3.9542 -3.9520 0.2182 0.2182 0.8260 0.8321 2.0044 2.0131 5.4282 5.4282 9.7459 9.7464 10.1893 10.1915 12.6594 12.6640 k = 0.4932-0.1348 0.3045 ( 3317 PWs) bands (ev): -47.4574 -47.4574 -22.3682 -22.3680 -19.5161 -19.5045 -19.3498 -19.3396 -19.3145 -19.3123 -17.7066 -17.7057 -7.7652 -7.7648 -4.6941 -4.6929 -4.1593 -4.1592 -3.9420 -3.9399 0.2121 0.2121 0.8029 0.8087 2.0016 2.0099 5.4217 5.4217 9.7256 9.7259 10.1934 10.1954 12.7236 12.7283 k = 0.4936-0.1225 0.2994 ( 3321 PWs) bands (ev): -47.4574 -47.4574 -22.3699 -22.3697 -19.5146 -19.5033 -19.3479 -19.3383 -19.3141 -19.3118 -17.7078 -17.7069 -7.7519 -7.7516 -4.7158 -4.7147 -4.1549 -4.1548 -3.9300 -3.9280 0.2061 0.2062 0.7807 0.7863 1.9984 2.0064 5.4154 5.4154 9.7061 9.7063 10.1985 10.2005 12.7862 12.7910 k = 0.4940-0.1102 0.2943 ( 3317 PWs) bands (ev): -47.4574 -47.4574 -22.3716 -22.3714 -19.5132 -19.5023 -19.3461 -19.3370 -19.3137 -19.3113 -17.7090 -17.7082 -7.7388 -7.7384 -4.7371 -4.7361 -4.1505 -4.1505 -3.9182 -3.9164 0.2003 0.2003 0.7597 0.7650 1.9950 2.0026 5.4093 5.4093 9.6874 9.6875 10.2046 10.2064 12.8471 12.8518 k = 0.4944-0.0979 0.2892 ( 3307 PWs) bands (ev): -47.4574 -47.4574 -22.3732 -22.3730 -19.5117 -19.5012 -19.3442 -19.3357 -19.3133 -19.3107 -17.7102 -17.7094 -7.7259 -7.7256 -4.7579 -4.7569 -4.1464 -4.1464 -3.9068 -3.9051 0.1947 0.1947 0.7397 0.7447 1.9914 1.9986 5.4034 5.4034 9.6697 9.6698 10.2115 10.2132 12.9061 12.9108 k = 0.4948-0.0856 0.2841 ( 3310 PWs) bands (ev): -47.4575 -47.4575 -22.3747 -22.3745 -19.5103 -19.5004 -19.3424 -19.3346 -19.3130 -19.3103 -17.7113 -17.7105 -7.7134 -7.7131 -4.7781 -4.7772 -4.1424 -4.1424 -3.8959 -3.8942 0.1893 0.1893 0.7210 0.7256 1.9876 1.9945 5.3978 5.3978 9.6530 9.6530 10.2189 10.2204 12.9631 12.9678 k = 0.4952-0.0733 0.2790 ( 3310 PWs) bands (ev): -47.4575 -47.4575 -22.3762 -22.3760 -19.5089 -19.4996 -19.3406 -19.3335 -19.3127 -19.3099 -17.7123 -17.7116 -7.7014 -7.7010 -4.7974 -4.7966 -4.1386 -4.1386 -3.8854 -3.8839 0.1841 0.1841 0.7034 0.7078 1.9839 1.9903 5.3925 5.3925 9.6373 9.6374 10.2267 10.2281 13.0179 13.0225 k = 0.4956-0.0611 0.2739 ( 3312 PWs) bands (ev): -47.4575 -47.4575 -22.3775 -22.3774 -19.5076 -19.4989 -19.3390 -19.3325 -19.3123 -19.3095 -17.7133 -17.7126 -7.6898 -7.6895 -4.8159 -4.8151 -4.1350 -4.1350 -3.8755 -3.8741 0.1792 0.1792 0.6871 0.6912 1.9801 1.9861 5.3875 5.3875 9.6227 9.6228 10.2346 10.2359 13.0704 13.0747 k = 0.4960-0.0488 0.2688 ( 3312 PWs) bands (ev): -47.4575 -47.4575 -22.3788 -22.3787 -19.5063 -19.4983 -19.3373 -19.3316 -19.3120 -19.3092 -17.7143 -17.7136 -7.6789 -7.6786 -4.8332 -4.8326 -4.1316 -4.1316 -3.8662 -3.8650 0.1746 0.1746 0.6721 0.6758 1.9765 1.9820 5.3828 5.3828 9.6093 9.6094 10.2426 10.2437 13.1201 13.1243 k = 0.4964-0.0365 0.2637 ( 3314 PWs) bands (ev): -47.4575 -47.4575 -22.3800 -22.3798 -19.5052 -19.4978 -19.3358 -19.3308 -19.3117 -19.3090 -17.7151 -17.7145 -7.6687 -7.6685 -4.8494 -4.8488 -4.1285 -4.1285 -3.8576 -3.8565 0.1704 0.1704 0.6585 0.6618 1.9730 1.9780 5.3786 5.3786 9.5971 9.5972 10.2504 10.2514 13.1670 13.1708 k = 0.4968-0.0242 0.2587 ( 3316 PWs) bands (ev): -47.4575 -47.4575 -22.3810 -22.3809 -19.5040 -19.4974 -19.3344 -19.3300 -19.3114 -19.3088 -17.7159 -17.7153 -7.6593 -7.6591 -4.8643 -4.8638 -4.1257 -4.1257 -3.8498 -3.8488 0.1665 0.1665 0.6462 0.6492 1.9698 1.9742 5.3747 5.3747 9.5861 9.5862 10.2578 10.2587 13.2105 13.2141 k = 0.4972-0.0119 0.2536 ( 3320 PWs) bands (ev): -47.4575 -47.4575 -22.3820 -22.3819 -19.5030 -19.4971 -19.3331 -19.3294 -19.3111 -19.3086 -17.7166 -17.7161 -7.6508 -7.6506 -4.8777 -4.8772 -4.1231 -4.1231 -3.8427 -3.8418 0.1631 0.1631 0.6353 0.6380 1.9668 1.9707 5.3712 5.3712 9.5763 9.5764 10.2648 10.2655 13.2504 13.2536 k = 0.4976 0.0004 0.2485 ( 3326 PWs) bands (ev): -47.4575 -47.4575 -22.3828 -22.3828 -19.5020 -19.4970 -19.3320 -19.3289 -19.3108 -19.3086 -17.7172 -17.7167 -7.6432 -7.6431 -4.8895 -4.8892 -4.1209 -4.1209 -3.8365 -3.8358 0.1600 0.1600 0.6259 0.6282 1.9641 1.9675 5.3681 5.3681 9.5678 9.5679 10.2711 10.2718 13.2862 13.2890 k = 0.4980 0.0127 0.2434 ( 3320 PWs) bands (ev): -47.4575 -47.4575 -22.3836 -22.3835 -19.5011 -19.4968 -19.3309 -19.3284 -19.3105 -19.3085 -17.7177 -17.7173 -7.6367 -7.6365 -4.8997 -4.8994 -4.1190 -4.1190 -3.8312 -3.8305 0.1574 0.1574 0.6179 0.6198 1.9619 1.9647 5.3655 5.3655 9.5606 9.5607 10.2767 10.2773 13.3175 13.3200 k = 0.4984 0.0250 0.2383 ( 3320 PWs) bands (ev): -47.4575 -47.4575 -22.3841 -22.3841 -19.5003 -19.4968 -19.3300 -19.3280 -19.3102 -19.3085 -17.7181 -17.7178 -7.6313 -7.6311 -4.9082 -4.9080 -4.1174 -4.1174 -3.8267 -3.8262 0.1552 0.1552 0.6114 0.6129 1.9600 1.9623 5.3634 5.3634 9.5546 9.5547 10.2815 10.2819 13.3440 13.3460 k = 0.4988 0.0373 0.2332 ( 3315 PWs) bands (ev): -47.4575 -47.4575 -22.3846 -22.3846 -19.4995 -19.4969 -19.3292 -19.3278 -19.3099 -19.3086 -17.7184 -17.7182 -7.6270 -7.6269 -4.9148 -4.9147 -4.1162 -4.1161 -3.8232 -3.8228 0.1535 0.1535 0.6063 0.6075 1.9586 1.9604 5.3617 5.3617 9.5500 9.5501 10.2853 10.2856 13.3651 13.3667 k = 0.4992 0.0496 0.2281 ( 3316 PWs) bands (ev): -47.4575 -47.4575 -22.3849 -22.3849 -19.4988 -19.4971 -19.3286 -19.3277 -19.3096 -19.3087 -17.7186 -17.7185 -7.6239 -7.6238 -4.9196 -4.9195 -4.1153 -4.1153 -3.8207 -3.8204 0.1523 0.1523 0.6028 0.6035 1.9577 1.9589 5.3605 5.3605 9.5467 9.5468 10.2881 10.2883 13.3806 13.3817 k = 0.4996 0.0619 0.2230 ( 3314 PWs) bands (ev): -47.4575 -47.4575 -22.3851 -22.3851 -19.4982 -19.4974 -19.3282 -19.3277 -19.3093 -19.3089 -17.7187 -17.7186 -7.6220 -7.6219 -4.9225 -4.9225 -4.1147 -4.1147 -3.8191 -3.8190 0.1515 0.1515 0.6007 0.6011 1.9573 1.9578 5.3598 5.3598 9.5447 9.5448 10.2898 10.2899 13.3901 13.3907 k = 0.5000 0.0742 0.2179 ( 3320 PWs) bands (ev): -47.4575 -47.4575 -22.3852 -22.3852 -19.4978 -19.4978 -19.3279 -19.3279 -19.3091 -19.3091 -17.7187 -17.7187 -7.6213 -7.6213 -4.9235 -4.9235 -4.1145 -4.1145 -3.8186 -3.8186 0.1513 0.1513 0.6001 0.6001 1.9573 1.9573 5.3595 5.3595 9.5441 9.5441 10.2904 10.2904 13.3935 13.3935 k = 0.5000 0.0742 0.2179 ( 3320 PWs) bands (ev): -47.4575 -47.4575 -22.3852 -22.3852 -19.4978 -19.4978 -19.3279 -19.3279 -19.3091 -19.3091 -17.7187 -17.7187 -7.6213 -7.6213 -4.9235 -4.9235 -4.1145 -4.1145 -3.8186 -3.8186 0.1513 0.1513 0.6001 0.6001 1.9573 1.9573 5.3595 5.3595 9.5441 9.5441 10.2904 10.2904 13.3935 13.3935 k = 0.4944 0.0790 0.2290 ( 3320 PWs) bands (ev): -47.4575 -47.4575 -22.3851 -22.3851 -19.4981 -19.4976 -19.3281 -19.3277 -19.3095 -19.3088 -17.7187 -17.7186 -7.6213 -7.6213 -4.9234 -4.9233 -4.1153 -4.1151 -3.8188 -3.8187 0.1504 0.1507 0.6003 0.6006 1.9575 1.9575 5.3587 5.3589 9.5456 9.5458 10.2919 10.2920 13.3942 13.3944 k = 0.4889 0.0838 0.2401 ( 3316 PWs) bands (ev): -47.4575 -47.4575 -22.3850 -22.3850 -19.4984 -19.4974 -19.3284 -19.3276 -19.3099 -19.3085 -17.7184 -17.7183 -7.6211 -7.6210 -4.9230 -4.9228 -4.1173 -4.1168 -3.8192 -3.8190 0.1481 0.1488 0.6011 0.6017 1.9580 1.9582 5.3565 5.3569 9.5504 9.5507 10.2966 10.2968 13.3963 13.3967 k = 0.4833 0.0886 0.2512 ( 3314 PWs) bands (ev): -47.4575 -47.4575 -22.3847 -22.3847 -19.4988 -19.4973 -19.3288 -19.3276 -19.3104 -19.3082 -17.7179 -17.7177 -7.6207 -7.6207 -4.9224 -4.9221 -4.1206 -4.1199 -3.8199 -3.8196 0.1443 0.1453 0.6025 0.6035 1.9590 1.9592 5.3529 5.3535 9.5585 9.5589 10.3044 10.3047 13.3999 13.4006 k = 0.4778 0.0933 0.2623 ( 3316 PWs) bands (ev): -47.4575 -47.4575 -22.3843 -22.3843 -19.4992 -19.4973 -19.3293 -19.3277 -19.3109 -19.3081 -17.7173 -17.7170 -7.6202 -7.6202 -4.9215 -4.9211 -4.1251 -4.1241 -3.8208 -3.8204 0.1392 0.1405 0.6045 0.6058 1.9604 1.9606 5.3480 5.3487 9.5697 9.5702 10.3153 10.3158 13.4049 13.4058 k = 0.4722 0.0981 0.2734 ( 3308 PWs) bands (ev): -47.4575 -47.4575 -22.3838 -22.3838 -19.4997 -19.4973 -19.3299 -19.3279 -19.3113 -19.3079 -17.7164 -17.7160 -7.6196 -7.6196 -4.9204 -4.9199 -4.1307 -4.1296 -3.8220 -3.8215 0.1328 0.1344 0.6071 0.6087 1.9621 1.9624 5.3417 5.3426 9.5841 9.5847 10.3294 10.3299 13.4114 13.4125 k = 0.4667 0.1029 0.2846 ( 3312 PWs) bands (ev): -47.4574 -47.4574 -22.3832 -22.3832 -19.5003 -19.4975 -19.3306 -19.3282 -19.3118 -19.3079 -17.7153 -17.7149 -7.6189 -7.6188 -4.9190 -4.9184 -4.1376 -4.1362 -3.8235 -3.8229 0.1250 0.1269 0.6103 0.6121 1.9643 1.9646 5.3340 5.3351 9.6015 9.6022 10.3464 10.3471 13.4192 13.4206 k = 0.4611 0.1077 0.2957 ( 3314 PWs) bands (ev): -47.4574 -47.4574 -22.3825 -22.3825 -19.5010 -19.4976 -19.3314 -19.3286 -19.3123 -19.3079 -17.7141 -17.7136 -7.6180 -7.6179 -4.9174 -4.9167 -4.1455 -4.1438 -3.8252 -3.8245 0.1160 0.1182 0.6140 0.6160 1.9668 1.9672 5.3252 5.3265 9.6219 9.6228 10.3665 10.3673 13.4283 13.4299 k = 0.4556 0.1125 0.3068 ( 3310 PWs) bands (ev): -47.4574 -47.4574 -22.3816 -22.3816 -19.5017 -19.4979 -19.3322 -19.3291 -19.3128 -19.3079 -17.7127 -17.7122 -7.6170 -7.6169 -4.9156 -4.9149 -4.1543 -4.1525 -3.8271 -3.8264 0.1059 0.1083 0.6181 0.6204 1.9696 1.9700 5.3151 5.3165 9.6453 9.6463 10.3896 10.3904 13.4387 13.4405 k = 0.4500 0.1173 0.3179 ( 3310 PWs) bands (ev): -47.4574 -47.4574 -22.3807 -22.3807 -19.5024 -19.4982 -19.3332 -19.3297 -19.3132 -19.3080 -17.7111 -17.7105 -7.6159 -7.6158 -4.9137 -4.9128 -4.1641 -4.1621 -3.8294 -3.8285 0.0947 0.0973 0.6228 0.6251 1.9728 1.9732 5.3039 5.3055 9.6715 9.6726 10.4155 10.4165 13.4501 13.4522 k = 0.4444 0.1221 0.3290 ( 3310 PWs) bands (ev): -47.4573 -47.4573 -22.3797 -22.3797 -19.5032 -19.4985 -19.3342 -19.3305 -19.3136 -19.3081 -17.7094 -17.7087 -7.6147 -7.6146 -4.9116 -4.9106 -4.1748 -4.1725 -3.8319 -3.8309 0.0825 0.0853 0.6278 0.6303 1.9762 1.9767 5.2915 5.2933 9.7005 9.7016 10.4443 10.4454 13.4626 13.4649 k = 0.4389 0.1269 0.3402 ( 3312 PWs) bands (ev): -47.4573 -47.4573 -22.3786 -22.3786 -19.5041 -19.4990 -19.3354 -19.3313 -19.3140 -19.3082 -17.7075 -17.7068 -7.6133 -7.6132 -4.9094 -4.9083 -4.1862 -4.1837 -3.8346 -3.8336 0.0694 0.0723 0.6332 0.6358 1.9799 1.9805 5.2782 5.2802 9.7321 9.7333 10.4758 10.4770 13.4759 13.4784 k = 0.4333 0.1317 0.3513 ( 3312 PWs) bands (ev): -47.4573 -47.4573 -22.3775 -22.3775 -19.5050 -19.4995 -19.3367 -19.3321 -19.3143 -19.3084 -17.7055 -17.7047 -7.6119 -7.6118 -4.9071 -4.9059 -4.1982 -4.1955 -3.8376 -3.8365 0.0554 0.0584 0.6389 0.6416 1.9840 1.9846 5.2640 5.2661 9.7661 9.7675 10.5100 10.5113 13.4898 13.4926 k = 0.4278 0.1365 0.3624 ( 3306 PWs) bands (ev): -47.4572 -47.4572 -22.3762 -22.3762 -19.5059 -19.5000 -19.3380 -19.3331 -19.3145 -19.3085 -17.7033 -17.7025 -7.6104 -7.6102 -4.9048 -4.9034 -4.2107 -4.2078 -3.8408 -3.8397 0.0407 0.0437 0.6449 0.6477 1.9882 1.9889 5.2489 5.2511 9.8026 9.8040 10.5468 10.5481 13.5043 13.5073 k = 0.4222 0.1413 0.3735 ( 3312 PWs) bands (ev): -47.4572 -47.4572 -22.3749 -22.3749 -19.5069 -19.5007 -19.3394 -19.3341 -19.3148 -19.3088 -17.7010 -17.7001 -7.6088 -7.6086 -4.9025 -4.9010 -4.2237 -4.2205 -3.8443 -3.8431 0.0252 0.0284 0.6511 0.6539 1.9926 1.9933 5.2330 5.2354 9.8413 9.8428 10.5860 10.5874 13.5188 13.5221 k = 0.4167 0.1461 0.3846 ( 3312 PWs) bands (ev): -47.4572 -47.4572 -22.3735 -22.3735 -19.5080 -19.5013 -19.3409 -19.3352 -19.3150 -19.3090 -17.6986 -17.6977 -7.6071 -7.6069 -4.9002 -4.8986 -4.2369 -4.2335 -3.8481 -3.8468 0.0092 0.0124 0.6575 0.6604 1.9973 1.9980 5.2164 5.2190 9.8822 9.8838 10.6275 10.6290 13.5332 13.5367 k = 0.4111 0.1509 0.3958 ( 3314 PWs) bands (ev): -47.4571 -47.4571 -22.3721 -22.3721 -19.5090 -19.5021 -19.3425 -19.3363 -19.3152 -19.3092 -17.6961 -17.6951 -7.6053 -7.6051 -4.8981 -4.8963 -4.2503 -4.2467 -3.8521 -3.8507 -0.0073 -0.0041 0.6641 0.6670 2.0021 2.0028 5.1992 5.2019 9.9251 9.9267 10.6713 10.6729 13.5469 13.5506 k = 0.4056 0.1556 0.4069 ( 3314 PWs) bands (ev): -47.4571 -47.4571 -22.3706 -22.3706 -19.5102 -19.5029 -19.3441 -19.3375 -19.3153 -19.3094 -17.6935 -17.6925 -7.6035 -7.6033 -4.8961 -4.8942 -4.2637 -4.2599 -3.8563 -3.8548 -0.0243 -0.0211 0.6709 0.6738 2.0070 2.0078 5.1815 5.1844 9.9698 9.9715 10.7171 10.7187 13.5593 13.5633 k = 0.4000 0.1604 0.4180 ( 3312 PWs) bands (ev): -47.4570 -47.4570 -22.3691 -22.3691 -19.5113 -19.5037 -19.3458 -19.3387 -19.3154 -19.3096 -17.6909 -17.6898 -7.6016 -7.6014 -4.8943 -4.8923 -4.2770 -4.2730 -3.8608 -3.8592 -0.0416 -0.0384 0.6778 0.6806 2.0120 2.0128 5.1635 5.1665 10.0164 10.0181 10.7648 10.7665 13.5696 13.5738 k = 0.3944 0.1652 0.4291 ( 3312 PWs) bands (ev): -47.4570 -47.4570 -22.3675 -22.3675 -19.5125 -19.5046 -19.3474 -19.3399 -19.3155 -19.3098 -17.6882 -17.6871 -7.5996 -7.5995 -4.8928 -4.8906 -4.2900 -4.2859 -3.8654 -3.8639 -0.0592 -0.0559 0.6847 0.6875 2.0172 2.0180 5.1451 5.1482 10.0645 10.0664 10.8142 10.8161 13.5766 13.5811 k = 0.3889 0.1700 0.4402 ( 3314 PWs) bands (ev): -47.4569 -47.4569 -22.3659 -22.3659 -19.5137 -19.5055 -19.3492 -19.3412 -19.3156 -19.3101 -17.6854 -17.6843 -7.5977 -7.5975 -4.8916 -4.8893 -4.3027 -4.2984 -3.8704 -3.8687 -0.0769 -0.0737 0.6916 0.6944 2.0223 2.0231 5.1264 5.1296 10.1142 10.1161 10.8652 10.8672 13.5790 13.5836 k = 0.3833 0.1748 0.4514 ( 3312 PWs) bands (ev): -47.4569 -47.4569 -22.3643 -22.3643 -19.5149 -19.5065 -19.3508 -19.3424 -19.3157 -19.3103 -17.6826 -17.6815 -7.5957 -7.5955 -4.8908 -4.8884 -4.3149 -4.3103 -3.8755 -3.8738 -0.0947 -0.0915 0.6986 0.7013 2.0275 2.0284 5.1076 5.1110 10.1653 10.1672 10.9176 10.9197 13.5749 13.5795 k = 0.3778 0.1796 0.4625 ( 3316 PWs) bands (ev): -47.4568 -47.4568 -22.3626 -22.3626 -19.5161 -19.5075 -19.3525 -19.3437 -19.3158 -19.3105 -17.6798 -17.6787 -7.5937 -7.5935 -4.8904 -4.8878 -4.3264 -4.3217 -3.8808 -3.8790 -0.1126 -0.1094 0.7055 0.7082 2.0327 2.0336 5.0888 5.0923 10.2177 10.2196 10.9712 10.9733 13.5624 13.5668 k = 0.3722 0.1844 0.4736 ( 3310 PWs) bands (ev): -47.4568 -47.4568 -22.3610 -22.3610 -19.5173 -19.5085 -19.3542 -19.3450 -19.3158 -19.3107 -17.6770 -17.6759 -7.5917 -7.5915 -4.8905 -4.8878 -4.3372 -4.3324 -3.8863 -3.8845 -0.1303 -0.1271 0.7124 0.7150 2.0379 2.0387 5.0701 5.0737 10.2712 10.2732 11.0257 11.0280 13.5398 13.5439 k = 0.3667 0.1892 0.4847 ( 3310 PWs) bands (ev): -47.4567 -47.4567 -22.3593 -22.3593 -19.5185 -19.5095 -19.3558 -19.3462 -19.3158 -19.3109 -17.6743 -17.6731 -7.5897 -7.5895 -4.8911 -4.8883 -4.3472 -4.3422 -3.8919 -3.8901 -0.1478 -0.1447 0.7192 0.7217 2.0430 2.0439 5.0515 5.0551 10.3258 10.3279 11.0811 11.0834 13.5065 13.5101 k = 0.3611 0.1940 0.4958 ( 3312 PWs) bands (ev): -47.4567 -47.4567 -22.3577 -22.3577 -19.5198 -19.5106 -19.3575 -19.3475 -19.3159 -19.3111 -17.6715 -17.6703 -7.5877 -7.5875 -4.8922 -4.8893 -4.3563 -4.3512 -3.8977 -3.8958 -0.1652 -0.1621 0.7258 0.7282 2.0481 2.0489 5.0331 5.0368 10.3814 10.3835 11.1369 11.1394 13.4630 13.4661 k = 0.3556 0.1988 0.5069 ( 3308 PWs) bands (ev): -47.4566 -47.4566 -22.3561 -22.3561 -19.5210 -19.5116 -19.3590 -19.3487 -19.3159 -19.3113 -17.6688 -17.6676 -7.5857 -7.5855 -4.8938 -4.8909 -4.3643 -4.3592 -3.9036 -3.9017 -0.1821 -0.1791 0.7323 0.7347 2.0531 2.0539 5.0150 5.0188 10.4378 10.4400 11.1931 11.1956 13.4110 13.4137 k = 0.3500 0.2036 0.5181 ( 3312 PWs) bands (ev): -47.4566 -47.4566 -22.3545 -22.3545 -19.5222 -19.5127 -19.3606 -19.3499 -19.3159 -19.3115 -17.6661 -17.6649 -7.5838 -7.5836 -4.8960 -4.8930 -4.3714 -4.3662 -3.9096 -3.9077 -0.1988 -0.1957 0.7387 0.7409 2.0579 2.0587 4.9973 5.0012 10.4950 10.4972 11.2493 11.2519 13.3524 13.3546 k = 0.3444 0.2084 0.5292 ( 3314 PWs) bands (ev): -47.4565 -47.4565 -22.3530 -22.3530 -19.5234 -19.5138 -19.3620 -19.3510 -19.3159 -19.3117 -17.6635 -17.6623 -7.5819 -7.5817 -4.8987 -4.8956 -4.3775 -4.3722 -3.9157 -3.9137 -0.2149 -0.2119 0.7448 0.7470 2.0626 2.0634 4.9800 4.9841 10.5527 10.5551 11.3053 11.3081 13.2889 13.2908 k = 0.3389 0.2131 0.5403 ( 3316 PWs) bands (ev): -47.4565 -47.4565 -22.3515 -22.3515 -19.5246 -19.5149 -19.3634 -19.3522 -19.3159 -19.3119 -17.6610 -17.6598 -7.5801 -7.5798 -4.9018 -4.8987 -4.3825 -4.3772 -3.9219 -3.9198 -0.2305 -0.2276 0.7508 0.7529 2.0672 2.0679 4.9633 4.9674 10.6110 10.6134 11.3608 11.3638 13.2220 13.2237 k = 0.3333 0.2179 0.5514 ( 3314 PWs) bands (ev): -47.4564 -47.4564 -22.3500 -22.3500 -19.5257 -19.5160 -19.3648 -19.3532 -19.3159 -19.3120 -17.6585 -17.6573 -7.5783 -7.5780 -4.9054 -4.9023 -4.3866 -4.3813 -3.9280 -3.9259 -0.2456 -0.2426 0.7565 0.7585 2.0715 2.0723 4.9473 4.9515 10.6696 10.6721 11.4157 11.4188 13.1528 13.1543 k = 0.3278 0.2227 0.5625 ( 3312 PWs) bands (ev): -47.4564 -47.4564 -22.3486 -22.3486 -19.5268 -19.5170 -19.3660 -19.3543 -19.3159 -19.3122 -17.6562 -17.6550 -7.5766 -7.5763 -4.9093 -4.9061 -4.3897 -4.3844 -3.9340 -3.9320 -0.2599 -0.2570 0.7620 0.7639 2.0757 2.0764 4.9319 4.9362 10.7284 10.7310 11.4695 11.4727 13.0822 13.0837 k = 0.3222 0.2275 0.5737 ( 3312 PWs) bands (ev): -47.4564 -47.4564 -22.3473 -22.3472 -19.5278 -19.5180 -19.3672 -19.3552 -19.3158 -19.3123 -17.6540 -17.6528 -7.5750 -7.5747 -4.9134 -4.9103 -4.3919 -4.3867 -3.9401 -3.9380 -0.2735 -0.2707 0.7671 0.7689 2.0797 2.0803 4.9173 4.9216 10.7873 10.7899 11.5221 11.5255 13.0110 13.0123 k = 0.3167 0.2323 0.5848 ( 3316 PWs) bands (ev): -47.4563 -47.4563 -22.3460 -22.3460 -19.5288 -19.5190 -19.3684 -19.3562 -19.3158 -19.3125 -17.6519 -17.6506 -7.5734 -7.5731 -4.9178 -4.9147 -4.3933 -4.3882 -3.9459 -3.9439 -0.2864 -0.2835 0.7720 0.7737 2.0834 2.0840 4.9035 4.9079 10.8459 10.8486 11.5731 11.5767 12.9396 12.9410 k = 0.3111 0.2371 0.5959 ( 3318 PWs) bands (ev): -47.4563 -47.4563 -22.3448 -22.3448 -19.5298 -19.5199 -19.3694 -19.3570 -19.3158 -19.3126 -17.6499 -17.6487 -7.5720 -7.5717 -4.9222 -4.9192 -4.3941 -4.3890 -3.9516 -3.9496 -0.2984 -0.2956 0.7765 0.7781 2.0869 2.0875 4.8906 4.8951 10.9041 10.9069 11.6223 11.6260 12.8686 12.8700 k = 0.3056 0.2419 0.6070 ( 3314 PWs) bands (ev): -47.4563 -47.4563 -22.3437 -22.3437 -19.5306 -19.5207 -19.3704 -19.3578 -19.3158 -19.3127 -17.6480 -17.6468 -7.5706 -7.5703 -4.9266 -4.9236 -4.3942 -4.3893 -3.9571 -3.9551 -0.3095 -0.3067 0.7808 0.7823 2.0902 2.0907 4.8787 4.8832 10.9614 10.9645 11.6694 11.6732 12.7986 12.8001 k = 0.3000 0.2467 0.6181 ( 3320 PWs) bands (ev): -47.4562 -47.4562 -22.3427 -22.3427 -19.5315 -19.5215 -19.3713 -19.3585 -19.3158 -19.3128 -17.6464 -17.6452 -7.5694 -7.5691 -4.9310 -4.9280 -4.3939 -4.3891 -3.9623 -3.9603 -0.3197 -0.3170 0.7846 0.7860 2.0932 2.0936 4.8677 4.8722 11.0177 11.0208 11.7139 11.7180 12.7301 12.7317 k = 0.2944 0.2515 0.6293 ( 3318 PWs) bands (ev): -47.4562 -47.4562 -22.3418 -22.3417 -19.5322 -19.5223 -19.3720 -19.3592 -19.3157 -19.3129 -17.6448 -17.6436 -7.5682 -7.5679 -4.9351 -4.9322 -4.3933 -4.3885 -3.9672 -3.9652 -0.3289 -0.3262 0.7881 0.7894 2.0959 2.0963 4.8578 4.8623 11.0722 11.0755 11.7558 11.7601 12.6635 12.6654 k = 0.2889 0.2563 0.6404 ( 3316 PWs) bands (ev): -47.4562 -47.4562 -22.3409 -22.3409 -19.5328 -19.5229 -19.3727 -19.3598 -19.3157 -19.3130 -17.6434 -17.6423 -7.5672 -7.5669 -4.9389 -4.9361 -4.3923 -4.3877 -3.9717 -3.9697 -0.3371 -0.3345 0.7912 0.7925 2.0983 2.0987 4.8489 4.8535 11.1244 11.1278 11.7946 11.7991 12.5997 12.6018 k = 0.2833 0.2611 0.6515 ( 3312 PWs) bands (ev): -47.4562 -47.4562 -22.3402 -22.3402 -19.5334 -19.5235 -19.3733 -19.3602 -19.3157 -19.3131 -17.6422 -17.6411 -7.5663 -7.5660 -4.9424 -4.9396 -4.3913 -4.3868 -3.9757 -3.9737 -0.3443 -0.3417 0.7940 0.7951 2.1004 2.1007 4.8412 4.8458 11.1735 11.1771 11.8301 11.8349 12.5394 12.5417 k = 0.2778 0.2659 0.6626 ( 3308 PWs) bands (ev): -47.4561 -47.4561 -22.3396 -22.3396 -19.5339 -19.5240 -19.3738 -19.3607 -19.3156 -19.3131 -17.6412 -17.6400 -7.5656 -7.5653 -4.9455 -4.9427 -4.3902 -4.3858 -3.9792 -3.9772 -0.3504 -0.3478 0.7963 0.7974 2.1022 2.1025 4.8346 4.8392 11.2185 11.2223 11.8620 11.8671 12.4836 12.4862 k = 0.2722 0.2707 0.6737 ( 3310 PWs) bands (ev): -47.4561 -47.4561 -22.3391 -22.3391 -19.5343 -19.5244 -19.3742 -19.3610 -19.3156 -19.3132 -17.6404 -17.6392 -7.5650 -7.5646 -4.9481 -4.9454 -4.3891 -4.3849 -3.9821 -3.9802 -0.3555 -0.3529 0.7982 0.7992 2.1037 2.1039 4.8291 4.8338 11.2582 11.2622 11.8899 11.8953 12.4336 12.4366 k = 0.2667 0.2754 0.6848 ( 3314 PWs) bands (ev): -47.4561 -47.4561 -22.3387 -22.3387 -19.5346 -19.5247 -19.3745 -19.3613 -19.3156 -19.3132 -17.6397 -17.6385 -7.5645 -7.5642 -4.9502 -4.9475 -4.3883 -4.3841 -3.9845 -3.9826 -0.3595 -0.3568 0.7997 0.8007 2.1048 2.1050 4.8248 4.8296 11.2913 11.2954 11.9132 11.9190 12.3910 12.3946 k = 0.2611 0.2802 0.6960 ( 3316 PWs) bands (ev): -47.4561 -47.4561 -22.3384 -22.3384 -19.5349 -19.5250 -19.3748 -19.3615 -19.3156 -19.3133 -17.6392 -17.6381 -7.5641 -7.5638 -4.9517 -4.9490 -4.3876 -4.3835 -3.9862 -3.9843 -0.3623 -0.3597 0.8008 0.8017 2.1057 2.1058 4.8218 4.8265 11.3163 11.3206 11.9311 11.9373 12.3580 12.3620 k = 0.2556 0.2850 0.7071 ( 3318 PWs) bands (ev): -47.4561 -47.4561 -22.3382 -22.3382 -19.5350 -19.5251 -19.3749 -19.3616 -19.3156 -19.3133 -17.6390 -17.6378 -7.5639 -7.5636 -4.9526 -4.9499 -4.3871 -4.3831 -3.9872 -3.9853 -0.3640 -0.3614 0.8014 0.8023 2.1062 2.1063 4.8199 4.8246 11.3320 11.3363 11.9426 11.9491 12.3369 12.3412 k = 0.2500 0.2898 0.7182 ( 3320 PWs) bands (ev): -47.4561 -47.4561 -22.3381 -22.3381 -19.5351 -19.5252 -19.3750 -19.3617 -19.3156 -19.3133 -17.6389 -17.6377 -7.5639 -7.5635 -4.9529 -4.9502 -4.3870 -4.3830 -3.9875 -3.9857 -0.3646 -0.3620 0.8016 0.8025 2.1064 2.1064 4.8193 4.8240 11.3373 11.3417 11.9465 11.9532 12.3296 12.3340 k = 0.3360-0.2898 0.7182 ( 3320 PWs) bands (ev): -47.4565 -47.4565 -22.3332 -22.3329 -19.5246 -19.5202 -19.3588 -19.3560 -19.3288 -19.3220 -17.6793 -17.6793 -7.8348 -7.8342 -4.6148 -4.6113 -4.3705 -4.3698 -4.0546 -4.0501 -0.0500 -0.0474 1.2707 1.2736 1.9655 1.9674 5.0186 5.0200 11.0159 11.0190 11.3770 11.3787 12.0012 12.0023 k = 0.3415-0.2946 0.7072 ( 3318 PWs) bands (ev): -47.4565 -47.4565 -22.3332 -22.3329 -19.5252 -19.5209 -19.3596 -19.3568 -19.3287 -19.3220 -17.6797 -17.6796 -7.8435 -7.8428 -4.5963 -4.5929 -4.3681 -4.3674 -4.0597 -4.0552 -0.0311 -0.0286 1.2768 1.2797 1.9643 1.9664 5.0457 5.0471 10.9917 10.9946 11.3274 11.3289 11.9798 11.9807 k = 0.3470-0.2993 0.6963 ( 3314 PWs) bands (ev): -47.4565 -47.4565 -22.3333 -22.3330 -19.5258 -19.5217 -19.3604 -19.3575 -19.3285 -19.3219 -17.6800 -17.6800 -7.8520 -7.8514 -4.5773 -4.5740 -4.3658 -4.3651 -4.0647 -4.0604 -0.0121 -0.0095 1.2826 1.2856 1.9631 1.9652 5.0730 5.0743 10.9650 10.9676 11.2761 11.2774 11.9589 11.9596 k = 0.3524-0.3040 0.6853 ( 3314 PWs) bands (ev): -47.4566 -47.4566 -22.3333 -22.3331 -19.5264 -19.5224 -19.3612 -19.3583 -19.3283 -19.3219 -17.6804 -17.6803 -7.8605 -7.8598 -4.5581 -4.5548 -4.3637 -4.3629 -4.0698 -4.0655 0.0071 0.0097 1.2882 1.2912 1.9617 1.9639 5.1005 5.1018 10.9362 10.9385 11.2231 11.2243 11.9351 11.9380 k = 0.3579-0.3087 0.6743 ( 3313 PWs) bands (ev): -47.4566 -47.4566 -22.3335 -22.3332 -19.5270 -19.5232 -19.3620 -19.3590 -19.3281 -19.3218 -17.6806 -17.6805 -7.8688 -7.8681 -4.5386 -4.5354 -4.3616 -4.3608 -4.0748 -4.0706 0.0264 0.0289 1.2936 1.2966 1.9603 1.9625 5.1281 5.1293 10.9058 10.9078 11.1687 11.1698 11.8828 11.8859 k = 0.3634-0.3135 0.6633 ( 3307 PWs) bands (ev): -47.4567 -47.4567 -22.3336 -22.3334 -19.5277 -19.5240 -19.3628 -19.3597 -19.3278 -19.3217 -17.6809 -17.6808 -7.8769 -7.8763 -4.5190 -4.5159 -4.3597 -4.3589 -4.0798 -4.0757 0.0457 0.0482 1.2987 1.3018 1.9588 1.9611 5.1556 5.1567 10.8741 10.8758 11.1132 11.1142 11.8232 11.8262 k = 0.3689-0.3182 0.6523 ( 3309 PWs) bands (ev): -47.4567 -47.4567 -22.3338 -22.3336 -19.5283 -19.5248 -19.3636 -19.3605 -19.3275 -19.3216 -17.6811 -17.6810 -7.8849 -7.8842 -4.4994 -4.4963 -4.3579 -4.3571 -4.0848 -4.0807 0.0649 0.0674 1.3036 1.3067 1.9572 1.9596 5.1829 5.1840 10.8412 10.8427 11.0571 11.0581 11.7650 11.7678 k = 0.3744-0.3229 0.6414 ( 3302 PWs) bands (ev): -47.4567 -47.4567 -22.3340 -22.3338 -19.5290 -19.5256 -19.3643 -19.3612 -19.3272 -19.3215 -17.6813 -17.6812 -7.8926 -7.8920 -4.4798 -4.4767 -4.3562 -4.3553 -4.0896 -4.0857 0.0840 0.0864 1.3083 1.3113 1.9555 1.9580 5.2100 5.2110 10.8074 10.8086 11.0011 11.0020 11.7084 11.7110 k = 0.3799-0.3277 0.6304 ( 3302 PWs) bands (ev): -47.4568 -47.4568 -22.3342 -22.3340 -19.5297 -19.5264 -19.3650 -19.3619 -19.3268 -19.3214 -17.6814 -17.6813 -7.9002 -7.8995 -4.4604 -4.4574 -4.3546 -4.3537 -4.0944 -4.0905 0.1028 0.1051 1.3127 1.3157 1.9538 1.9564 5.2367 5.2377 10.7724 10.7733 10.9459 10.9468 11.6537 11.6562 k = 0.3854-0.3324 0.6194 ( 3296 PWs) bands (ev): -47.4568 -47.4568 -22.3345 -22.3343 -19.5303 -19.5271 -19.3656 -19.3625 -19.3264 -19.3212 -17.6816 -17.6814 -7.9074 -7.9068 -4.4412 -4.4382 -4.3531 -4.3521 -4.0991 -4.0952 0.1213 0.1236 1.3168 1.3199 1.9521 1.9548 5.2629 5.2639 10.7360 10.7368 10.8924 10.8935 11.6009 11.6033 k = 0.3908-0.3371 0.6084 ( 3294 PWs) bands (ev): -47.4569 -47.4569 -22.3347 -22.3345 -19.5310 -19.5279 -19.3663 -19.3632 -19.3261 -19.3211 -17.6817 -17.6815 -7.9144 -7.9139 -4.4224 -4.4195 -4.3516 -4.3506 -4.1036 -4.0998 0.1394 0.1416 1.3207 1.3238 1.9504 1.9531 5.2886 5.2895 10.6978 10.6985 10.8418 10.8430 11.5503 11.5525 k = 0.3963-0.3419 0.5975 ( 3294 PWs) bands (ev): -47.4569 -47.4569 -22.3350 -22.3348 -19.5316 -19.5286 -19.3669 -19.3639 -19.3257 -19.3210 -17.6818 -17.6816 -7.9212 -7.9206 -4.4041 -4.4013 -4.3502 -4.3491 -4.1080 -4.1043 0.1569 0.1591 1.3244 1.3275 1.9488 1.9515 5.3135 5.3144 10.6575 10.6583 10.7950 10.7963 11.5019 11.5040 k = 0.4018-0.3466 0.5865 ( 3290 PWs) bands (ev): -47.4569 -47.4569 -22.3353 -22.3351 -19.5323 -19.5294 -19.3674 -19.3644 -19.3253 -19.3208 -17.6819 -17.6817 -7.9276 -7.9270 -4.3865 -4.3837 -4.3488 -4.3476 -4.1122 -4.1086 0.1740 0.1760 1.3278 1.3309 1.9471 1.9499 5.3376 5.3385 10.6150 10.6159 10.7527 10.7541 11.4558 11.4577 k = 0.4073-0.3513 0.5755 ( 3298 PWs) bands (ev): -47.4570 -47.4570 -22.3356 -22.3354 -19.5329 -19.5301 -19.3680 -19.3651 -19.3249 -19.3207 -17.6819 -17.6818 -7.9337 -7.9332 -4.3699 -4.3673 -4.3470 -4.3457 -4.1162 -4.1127 0.1903 0.1923 1.3309 1.3340 1.9454 1.9483 5.3608 5.3616 10.5709 10.5719 10.7150 10.7165 11.4121 11.4139 k = 0.4128-0.3561 0.5645 ( 3298 PWs) bands (ev): -47.4570 -47.4570 -22.3358 -22.3357 -19.5336 -19.5308 -19.3685 -19.3656 -19.3245 -19.3206 -17.6820 -17.6818 -7.9394 -7.9389 -4.3557 -4.3541 -4.3434 -4.3416 -4.1201 -4.1166 0.2059 0.2078 1.3339 1.3369 1.9438 1.9467 5.3830 5.3837 10.5260 10.5270 10.6816 10.6831 11.3710 11.3727 k = 0.4183-0.3608 0.5536 ( 3296 PWs) bands (ev): -47.4570 -47.4570 -22.3361 -22.3359 -19.5341 -19.5314 -19.3690 -19.3661 -19.3241 -19.3205 -17.6820 -17.6819 -7.9448 -7.9443 -4.3488 -4.3487 -4.3333 -4.3307 -4.1237 -4.1203 0.2208 0.2226 1.3366 1.3396 1.9423 1.9453 5.4040 5.4047 10.4815 10.4824 10.6519 10.6533 11.3325 11.3340 k = 0.4237-0.3655 0.5426 ( 3298 PWs) bands (ev): -47.4571 -47.4571 -22.3363 -22.3362 -19.5347 -19.5320 -19.3695 -19.3666 -19.3238 -19.3204 -17.6821 -17.6819 -7.9498 -7.9494 -4.3470 -4.3464 -4.3197 -4.3169 -4.1272 -4.1238 0.2347 0.2364 1.3390 1.3420 1.9408 1.9439 5.4238 5.4244 10.4381 10.4389 10.6253 10.6266 11.2967 11.2982 k = 0.4292-0.3702 0.5316 ( 3300 PWs) bands (ev): -47.4571 -47.4571 -22.3366 -22.3364 -19.5352 -19.5326 -19.3699 -19.3670 -19.3234 -19.3204 -17.6821 -17.6819 -7.9544 -7.9540 -4.3459 -4.3452 -4.3062 -4.3035 -4.1304 -4.1271 0.2477 0.2492 1.3412 1.3442 1.9394 1.9425 5.4422 5.4428 10.3968 10.3975 10.6015 10.6027 11.2637 11.2651 k = 0.4347-0.3750 0.5206 ( 3307 PWs) bands (ev): -47.4571 -47.4571 -22.3368 -22.3367 -19.5358 -19.5332 -19.3703 -19.3675 -19.3231 -19.3203 -17.6821 -17.6820 -7.9586 -7.9583 -4.3451 -4.3443 -4.2935 -4.2908 -4.1333 -4.1301 0.2597 0.2611 1.3432 1.3462 1.9382 1.9413 5.4592 5.4597 10.3580 10.3587 10.5802 10.5814 11.2337 11.2349 k = 0.4402-0.3797 0.5096 ( 3303 PWs) bands (ev): -47.4572 -47.4572 -22.3370 -22.3369 -19.5362 -19.5336 -19.3706 -19.3678 -19.3227 -19.3203 -17.6821 -17.6820 -7.9624 -7.9621 -4.3444 -4.3435 -4.2818 -4.2793 -4.1360 -4.1329 0.2706 0.2719 1.3450 1.3479 1.9370 1.9402 5.4747 5.4752 10.3224 10.3230 10.5613 10.5624 11.2066 11.2077 k = 0.4457-0.3844 0.4987 ( 3304 PWs) bands (ev): -47.4572 -47.4572 -22.3372 -22.3371 -19.5366 -19.5341 -19.3709 -19.3681 -19.3224 -19.3203 -17.6821 -17.6820 -7.9658 -7.9655 -4.3438 -4.3429 -4.2712 -4.2688 -4.1384 -4.1355 0.2804 0.2815 1.3466 1.3495 1.9359 1.9391 5.4886 5.4890 10.2902 10.2907 10.5447 10.5457 11.1825 11.1835 k = 0.4512-0.3892 0.4877 ( 3300 PWs) bands (ev): -47.4572 -47.4572 -22.3374 -22.3373 -19.5370 -19.5345 -19.3711 -19.3684 -19.3221 -19.3202 -17.6822 -17.6820 -7.9687 -7.9685 -4.3433 -4.3424 -4.2619 -4.2597 -4.1405 -4.1378 0.2890 0.2900 1.3479 1.3508 1.9350 1.9382 5.5008 5.5011 10.2618 10.2622 10.5302 10.5312 11.1615 11.1625 k = 0.4567-0.3939 0.4767 ( 3300 PWs) bands (ev): -47.4572 -47.4572 -22.3375 -22.3374 -19.5373 -19.5348 -19.3713 -19.3687 -19.3218 -19.3202 -17.6822 -17.6820 -7.9712 -7.9710 -4.3429 -4.3420 -4.2538 -4.2518 -4.1423 -4.1398 0.2964 0.2972 1.3490 1.3519 1.9342 1.9374 5.5112 5.5115 10.2373 10.2378 10.5180 10.5190 11.1437 11.1446 k = 0.4621-0.3986 0.4657 ( 3297 PWs) bands (ev): -47.4572 -47.4572 -22.3376 -22.3376 -19.5375 -19.5350 -19.3715 -19.3688 -19.3215 -19.3203 -17.6822 -17.6820 -7.9733 -7.9731 -4.3426 -4.3416 -4.2470 -4.2453 -4.1437 -4.1416 0.3025 0.3032 1.3500 1.3528 1.9335 1.9368 5.5199 5.5201 10.2171 10.2175 10.5081 10.5090 11.1291 11.1298 k = 0.4676-0.4034 0.4548 ( 3295 PWs) bands (ev): -47.4572 -47.4572 -22.3377 -22.3377 -19.5377 -19.5352 -19.3716 -19.3690 -19.3212 -19.3203 -17.6822 -17.6820 -7.9749 -7.9747 -4.3424 -4.3414 -4.2416 -4.2402 -4.1448 -4.1430 0.3073 0.3078 1.3507 1.3535 1.9330 1.9363 5.5267 5.5268 10.2012 10.2016 10.5003 10.5012 11.1176 11.1183 k = 0.4731-0.4081 0.4438 ( 3299 PWs) bands (ev): -47.4573 -47.4573 -22.3378 -22.3378 -19.5379 -19.5354 -19.3717 -19.3691 -19.3211 -19.3204 -17.6822 -17.6820 -7.9760 -7.9759 -4.3422 -4.3412 -4.2377 -4.2367 -4.1456 -4.1441 0.3108 0.3111 1.3512 1.3540 1.9327 1.9360 5.5315 5.5316 10.1898 10.1902 10.4947 10.4956 11.1094 11.1101 k = 0.4786-0.4128 0.4328 ( 3296 PWs) bands (ev): -47.4573 -47.4573 -22.3378 -22.3378 -19.5379 -19.5355 -19.3717 -19.3692 -19.3208 -19.3205 -17.6822 -17.6820 -7.9767 -7.9766 -4.3421 -4.3411 -4.2351 -4.2347 -4.1460 -4.1448 0.3129 0.3131 1.3515 1.3543 1.9324 1.9357 5.5345 5.5346 10.1829 10.1833 10.4914 10.4923 11.1045 11.1052 k = 0.4841-0.4176 0.4218 ( 3298 PWs) bands (ev): -47.4573 -47.4573 -22.3379 -22.3378 -19.5380 -19.5355 -19.3718 -19.3692 -19.3207 -19.3207 -17.6822 -17.6820 -7.9769 -7.9769 -4.3421 -4.3410 -4.2342 -4.2341 -4.1462 -4.1450 0.3137 0.3137 1.3516 1.3544 1.9323 1.9357 5.5355 5.5355 10.1806 10.1810 10.4903 10.4912 11.1029 11.1035 k = 0.5159 0.5659 0.0139 ( 3298 PWs) bands (ev): -47.4573 -47.4573 -22.3379 -22.3378 -19.5380 -19.5355 -19.3718 -19.3692 -19.3207 -19.3207 -17.6822 -17.6820 -7.9769 -7.9769 -4.3421 -4.3410 -4.2342 -4.2341 -4.1462 -4.1450 0.3137 0.3137 1.3516 1.3544 1.9323 1.9357 5.5355 5.5355 10.1806 10.1810 10.4903 10.4912 11.1029 11.1035 k = 0.5080 0.5728 0.0069 ( 3292 PWs) bands (ev): -47.4573 -47.4573 -22.3377 -22.3377 -19.5376 -19.5364 -19.3713 -19.3700 -19.3207 -19.3207 -17.6817 -17.6816 -7.9787 -7.9787 -4.3389 -4.3383 -4.2346 -4.2345 -4.1479 -4.1473 0.3143 0.3143 1.3608 1.3623 1.9291 1.9308 5.5361 5.5361 10.1770 10.1772 10.5124 10.5129 11.0721 11.0724 k = 0.5000 0.5796-0.0000 ( 3292 PWs) bands (ev): -47.4573 -47.4573 -22.3376 -22.3376 -19.5371 -19.5371 -19.3707 -19.3707 -19.3207 -19.3207 -17.6816 -17.6816 -7.9793 -7.9793 -4.3376 -4.3376 -4.2347 -4.2347 -4.1483 -4.1483 0.3145 0.3145 1.3644 1.3644 1.9285 1.9285 5.5363 5.5363 10.1758 10.1758 10.5206 10.5206 11.0613 11.0613 Writing output data file NaNO2.save init_run : 1.67s CPU 10.65s WALL ( 1 calls) electrons : 372.06s CPU 377.96s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.13s WALL ( 1 calls) potinit : 0.54s CPU 2.02s WALL ( 1 calls) Called by electrons: c_bands : 371.97s CPU 377.43s WALL ( 1 calls) v_of_rho : 0.31s CPU 1.03s WALL ( 1 calls) v_h : 0.06s CPU 0.08s WALL ( 1 calls) v_xc : 0.24s CPU 0.60s WALL ( 1 calls) newd : 0.05s CPU 0.35s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.07s WALL ( 459 calls) cegterg : 344.17s CPU 346.27s WALL ( 835 calls) Called by sum_band: Called by *egterg: h_psi : 182.44s CPU 189.10s WALL ( 14169 calls) s_psi : 5.02s CPU 5.72s WALL ( 14169 calls) g_psi : 0.38s CPU 0.46s WALL ( 12875 calls) cdiaghg : 109.24s CPU 106.65s WALL ( 13334 calls) cegterg:over : 28.54s CPU 25.55s WALL ( 12875 calls) cegterg:upda : 3.32s CPU 6.36s WALL ( 12875 calls) cegterg:last : 3.76s CPU 4.67s WALL ( 2471 calls) Called by h_psi: h_psi:vloc : 165.32s CPU 171.40s WALL ( 14169 calls) h_psi:vnl : 17.00s CPU 17.25s WALL ( 14169 calls) add_vuspsi : 2.48s CPU 4.75s WALL ( 14169 calls) General routines calbec : 14.49s CPU 12.36s WALL ( 14169 calls) fft : 0.38s CPU 1.43s WALL ( 19 calls) ffts : 0.07s CPU 0.54s WALL ( 4 calls) fftw : 159.24s CPU 164.13s WALL ( 1006476 calls) interpolate : 0.08s CPU 0.55s WALL ( 4 calls) davcio : 0.08s CPU 2.30s WALL ( 918 calls) Parallel routines fft_scatter : 103.14s CPU 107.12s WALL ( 1006499 calls) PWSCF : 6m57.42s CPU 8m21.59s WALL This run was terminated on: 16: 7:33 9Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=