Program PWSCF v.5.1.1 starts on 8Oct2015 at 23:10: 9 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 8 739 552 87 Max 35 29 9 741 563 90 Sum 1657 1361 403 35525 26717 4229 bravais-lattice index = 14 lattice parameter (alat) = 8.0548 a.u. unit-cell volume = 360.6842 (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)= 8.054766 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.649446 celldm(5)= -0.202241 celldm(6)= -0.148313 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.148313 0.988940 0.000000 ) a(3) = ( -0.202241 -0.687039 0.697908 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.149972 0.437418 ) b(2) = ( 0.000000 1.011183 0.995436 ) b(3) = ( 0.000000 0.000000 1.432854 ) 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= 457 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021882 k( 2) = ( -0.0056016 0.0048242 0.0111520), wk = 0.0021882 k( 3) = ( -0.0112032 0.0096483 0.0223041), wk = 0.0021882 k( 4) = ( -0.0168048 0.0144725 0.0334561), wk = 0.0021882 k( 5) = ( -0.0224063 0.0192966 0.0446082), wk = 0.0021882 k( 6) = ( -0.0280079 0.0241207 0.0557602), wk = 0.0021882 k( 7) = ( -0.0336095 0.0289449 0.0669122), wk = 0.0021882 k( 8) = ( -0.0392111 0.0337690 0.0780643), wk = 0.0021882 k( 9) = ( -0.0448127 0.0385932 0.0892163), wk = 0.0021882 k( 10) = ( -0.0504143 0.0434173 0.1003684), wk = 0.0021882 k( 11) = ( -0.0560159 0.0482415 0.1115204), wk = 0.0021882 k( 12) = ( -0.0616174 0.0530656 0.1226724), wk = 0.0021882 k( 13) = ( -0.0672190 0.0578898 0.1338245), wk = 0.0021882 k( 14) = ( -0.0728206 0.0627139 0.1449765), wk = 0.0021882 k( 15) = ( -0.0784222 0.0675381 0.1561286), wk = 0.0021882 k( 16) = ( -0.0840238 0.0723622 0.1672806), wk = 0.0021882 k( 17) = ( -0.0896254 0.0771864 0.1784326), wk = 0.0021882 k( 18) = ( -0.0952270 0.0820105 0.1895847), wk = 0.0021882 k( 19) = ( -0.1008286 0.0868347 0.2007367), wk = 0.0021882 k( 20) = ( -0.1064301 0.0916588 0.2118888), wk = 0.0021882 k( 21) = ( -0.1120317 0.0964830 0.2230408), wk = 0.0021882 k( 22) = ( -0.1176333 0.1013071 0.2341928), wk = 0.0021882 k( 23) = ( -0.1232349 0.1061313 0.2453449), wk = 0.0021882 k( 24) = ( -0.1288365 0.1109554 0.2564969), wk = 0.0021882 k( 25) = ( -0.1344381 0.1157796 0.2676490), wk = 0.0021882 k( 26) = ( -0.1400396 0.1206037 0.2788010), wk = 0.0021882 k( 27) = ( -0.1456412 0.1254279 0.2899530), wk = 0.0021882 k( 28) = ( -0.1512428 0.1302520 0.3011051), wk = 0.0021882 k( 29) = ( -0.1568444 0.1350762 0.3122571), wk = 0.0021882 k( 30) = ( -0.1624460 0.1399003 0.3234092), wk = 0.0021882 k( 31) = ( -0.1680476 0.1447245 0.3345612), wk = 0.0021882 k( 32) = ( -0.1736492 0.1495486 0.3457132), wk = 0.0021882 k( 33) = ( -0.1792507 0.1543728 0.3568653), wk = 0.0021882 k( 34) = ( -0.1848523 0.1591969 0.3680173), wk = 0.0021882 k( 35) = ( -0.1904539 0.1640211 0.3791694), wk = 0.0021882 k( 36) = ( -0.1960555 0.1688452 0.3903214), wk = 0.0021882 k( 37) = ( -0.2016571 0.1736694 0.4014734), wk = 0.0021882 k( 38) = ( -0.2072587 0.1784935 0.4126255), wk = 0.0021882 k( 39) = ( -0.2128603 0.1833177 0.4237775), wk = 0.0021882 k( 40) = ( -0.2184619 0.1881418 0.4349296), wk = 0.0021882 k( 41) = ( -0.2240634 0.1929660 0.4460816), wk = 0.0021882 k( 42) = ( -0.2296650 0.1977901 0.4572336), wk = 0.0021882 k( 43) = ( -0.2352666 0.2026143 0.4683857), wk = 0.0021882 k( 44) = ( -0.2408682 0.2074384 0.4795377), wk = 0.0021882 k( 45) = ( -0.2464698 0.2122626 0.4906898), wk = 0.0021882 k( 46) = ( -0.2520714 0.2170867 0.5018418), wk = 0.0021882 k( 47) = ( -0.2576730 0.2219109 0.5129938), wk = 0.0021882 k( 48) = ( -0.2632745 0.2267350 0.5241459), wk = 0.0021882 k( 49) = ( -0.2688761 0.2315592 0.5352979), wk = 0.0021882 k( 50) = ( -0.2744777 0.2363833 0.5464500), wk = 0.0021882 k( 51) = ( -0.2800793 0.2412075 0.5576020), wk = 0.0021882 k( 52) = ( -0.2856809 0.2460316 0.5687540), wk = 0.0021882 k( 53) = ( -0.2912825 0.2508558 0.5799061), wk = 0.0021882 k( 54) = ( -0.2968841 0.2556799 0.5910581), wk = 0.0021882 k( 55) = ( -0.3024856 0.2605041 0.6022102), wk = 0.0021882 k( 56) = ( -0.3080872 0.2653282 0.6133622), wk = 0.0021882 k( 57) = ( -0.3136888 0.2701524 0.6245142), wk = 0.0021882 k( 58) = ( -0.3192904 0.2749765 0.6356663), wk = 0.0021882 k( 59) = ( -0.3248920 0.2798007 0.6468183), wk = 0.0021882 k( 60) = ( -0.3304936 0.2846248 0.6579703), wk = 0.0021882 k( 61) = ( -0.3360952 0.2894490 0.6691224), wk = 0.0021882 k( 62) = ( -0.3416967 0.2942731 0.6802744), wk = 0.0021882 k( 63) = ( -0.3472983 0.2990973 0.6914265), wk = 0.0021882 k( 64) = ( -0.3528999 0.3039214 0.7025785), wk = 0.0021882 k( 65) = ( -0.3528999 0.3039214 0.7025785), wk = 0.0021882 k( 66) = ( -0.3449851 0.2971051 0.7095027), wk = 0.0021882 k( 67) = ( -0.3370703 0.2902888 0.7164268), wk = 0.0021882 k( 68) = ( -0.3370703 0.2902888 0.7164268), wk = 0.0021882 k( 69) = ( -0.3268561 0.2814921 0.7164268), wk = 0.0021882 k( 70) = ( -0.3166418 0.2726955 0.7164268), wk = 0.0021882 k( 71) = ( -0.3064275 0.2638989 0.7164268), wk = 0.0021882 k( 72) = ( -0.2962133 0.2551023 0.7164268), wk = 0.0021882 k( 73) = ( -0.2859990 0.2463056 0.7164268), wk = 0.0021882 k( 74) = ( -0.2757848 0.2375090 0.7164268), wk = 0.0021882 k( 75) = ( -0.2655705 0.2287124 0.7164268), wk = 0.0021882 k( 76) = ( -0.2553563 0.2199157 0.7164268), wk = 0.0021882 k( 77) = ( -0.2451420 0.2111191 0.7164268), wk = 0.0021882 k( 78) = ( -0.2349278 0.2023225 0.7164268), wk = 0.0021882 k( 79) = ( -0.2247135 0.1935259 0.7164268), wk = 0.0021882 k( 80) = ( -0.2144993 0.1847292 0.7164268), wk = 0.0021882 k( 81) = ( -0.2042850 0.1759326 0.7164268), wk = 0.0021882 k( 82) = ( -0.1940708 0.1671360 0.7164268), wk = 0.0021882 k( 83) = ( -0.1838565 0.1583393 0.7164268), wk = 0.0021882 k( 84) = ( -0.1736423 0.1495427 0.7164268), wk = 0.0021882 k( 85) = ( -0.1634280 0.1407461 0.7164268), wk = 0.0021882 k( 86) = ( -0.1532138 0.1319494 0.7164268), wk = 0.0021882 k( 87) = ( -0.1429995 0.1231528 0.7164268), wk = 0.0021882 k( 88) = ( -0.1327853 0.1143562 0.7164268), wk = 0.0021882 k( 89) = ( -0.1225710 0.1055596 0.7164268), wk = 0.0021882 k( 90) = ( -0.1123568 0.0967629 0.7164268), wk = 0.0021882 k( 91) = ( -0.1021425 0.0879663 0.7164268), wk = 0.0021882 k( 92) = ( -0.0919283 0.0791697 0.7164268), wk = 0.0021882 k( 93) = ( -0.0817140 0.0703730 0.7164268), wk = 0.0021882 k( 94) = ( -0.0714998 0.0615764 0.7164268), wk = 0.0021882 k( 95) = ( -0.0612855 0.0527798 0.7164268), wk = 0.0021882 k( 96) = ( -0.0510713 0.0439832 0.7164268), wk = 0.0021882 k( 97) = ( -0.0408570 0.0351865 0.7164268), wk = 0.0021882 k( 98) = ( -0.0306427 0.0263899 0.7164268), wk = 0.0021882 k( 99) = ( -0.0204285 0.0175933 0.7164268), wk = 0.0021882 k( 100) = ( -0.0102142 0.0087966 0.7164268), wk = 0.0021882 k( 101) = ( 0.0000000 0.0000000 0.7164268), wk = 0.0021882 k( 102) = ( 0.0000000 0.0000000 0.7164268), wk = 0.0021882 k( 103) = ( 0.0086207 0.0100100 0.7164268), wk = 0.0021882 k( 104) = ( 0.0172414 0.0200199 0.7164268), wk = 0.0021882 k( 105) = ( 0.0258621 0.0300299 0.7164268), wk = 0.0021882 k( 106) = ( 0.0344828 0.0400398 0.7164268), wk = 0.0021882 k( 107) = ( 0.0431035 0.0500498 0.7164268), wk = 0.0021882 k( 108) = ( 0.0517241 0.0600598 0.7164268), wk = 0.0021882 k( 109) = ( 0.0603448 0.0700697 0.7164268), wk = 0.0021882 k( 110) = ( 0.0689655 0.0800797 0.7164268), wk = 0.0021882 k( 111) = ( 0.0775862 0.0900896 0.7164268), wk = 0.0021882 k( 112) = ( 0.0862069 0.1000996 0.7164268), wk = 0.0021882 k( 113) = ( 0.0948276 0.1101095 0.7164268), wk = 0.0021882 k( 114) = ( 0.1034483 0.1201195 0.7164268), wk = 0.0021882 k( 115) = ( 0.1120690 0.1301295 0.7164268), wk = 0.0021882 k( 116) = ( 0.1206897 0.1401394 0.7164268), wk = 0.0021882 k( 117) = ( 0.1293103 0.1501494 0.7164268), wk = 0.0021882 k( 118) = ( 0.1379310 0.1601593 0.7164268), wk = 0.0021882 k( 119) = ( 0.1465517 0.1701693 0.7164268), wk = 0.0021882 k( 120) = ( 0.1551724 0.1801792 0.7164268), wk = 0.0021882 k( 121) = ( 0.1637931 0.1901892 0.7164268), wk = 0.0021882 k( 122) = ( 0.1724138 0.2001992 0.7164268), wk = 0.0021882 k( 123) = ( 0.1810345 0.2102091 0.7164268), wk = 0.0021882 k( 124) = ( 0.1896552 0.2202191 0.7164268), wk = 0.0021882 k( 125) = ( 0.1982759 0.2302290 0.7164268), wk = 0.0021882 k( 126) = ( 0.2068966 0.2402390 0.7164268), wk = 0.0021882 k( 127) = ( 0.2155172 0.2502489 0.7164268), wk = 0.0021882 k( 128) = ( 0.2241379 0.2602589 0.7164268), wk = 0.0021882 k( 129) = ( 0.2327586 0.2702689 0.7164268), wk = 0.0021882 k( 130) = ( 0.2413793 0.2802788 0.7164268), wk = 0.0021882 k( 131) = ( 0.2500000 0.2902888 0.7164268), wk = 0.0021882 k( 132) = ( 0.2500000 0.2902888 0.7164268), wk = 0.0021882 k( 133) = ( 0.2416667 0.2974655 0.7091365), wk = 0.0021882 k( 134) = ( 0.2333333 0.3046423 0.7018462), wk = 0.0021882 k( 135) = ( 0.2250000 0.3118191 0.6945559), wk = 0.0021882 k( 136) = ( 0.2166667 0.3189958 0.6872656), wk = 0.0021882 k( 137) = ( 0.2083333 0.3261726 0.6799753), wk = 0.0021882 k( 138) = ( 0.2000000 0.3333493 0.6726850), wk = 0.0021882 k( 139) = ( 0.1916667 0.3405261 0.6653947), wk = 0.0021882 k( 140) = ( 0.1833333 0.3477029 0.6581044), wk = 0.0021882 k( 141) = ( 0.1750000 0.3548796 0.6508142), wk = 0.0021882 k( 142) = ( 0.1666667 0.3620564 0.6435239), wk = 0.0021882 k( 143) = ( 0.1583333 0.3692332 0.6362336), wk = 0.0021882 k( 144) = ( 0.1500000 0.3764099 0.6289433), wk = 0.0021882 k( 145) = ( 0.1416667 0.3835867 0.6216530), wk = 0.0021882 k( 146) = ( 0.1333333 0.3907634 0.6143627), wk = 0.0021882 k( 147) = ( 0.1250000 0.3979402 0.6070724), wk = 0.0021882 k( 148) = ( 0.1166667 0.4051170 0.5997821), wk = 0.0021882 k( 149) = ( 0.1083333 0.4122937 0.5924918), wk = 0.0021882 k( 150) = ( 0.1000000 0.4194705 0.5852015), wk = 0.0021882 k( 151) = ( 0.0916667 0.4266472 0.5779112), wk = 0.0021882 k( 152) = ( 0.0833333 0.4338240 0.5706209), wk = 0.0021882 k( 153) = ( 0.0750000 0.4410008 0.5633306), wk = 0.0021882 k( 154) = ( 0.0666667 0.4481775 0.5560403), wk = 0.0021882 k( 155) = ( 0.0583333 0.4553543 0.5487500), wk = 0.0021882 k( 156) = ( 0.0500000 0.4625311 0.5414597), wk = 0.0021882 k( 157) = ( 0.0416667 0.4697078 0.5341694), wk = 0.0021882 k( 158) = ( 0.0333333 0.4768846 0.5268791), wk = 0.0021882 k( 159) = ( 0.0250000 0.4840613 0.5195889), wk = 0.0021882 k( 160) = ( 0.0166667 0.4912381 0.5122986), wk = 0.0021882 k( 161) = ( 0.0083333 0.4984149 0.5050083), wk = 0.0021882 k( 162) = ( 0.0000000 0.5055916 0.4977180), wk = 0.0021882 k( 163) = ( 0.0000000 0.5055916 0.4977180), wk = 0.0021882 k( 164) = ( 0.0103794 0.5115231 0.4916927), wk = 0.0021882 k( 165) = ( 0.0207588 0.5174546 0.4856674), wk = 0.0021882 k( 166) = ( 0.0311382 0.5233861 0.4796420), wk = 0.0021882 k( 167) = ( 0.0415176 0.5293175 0.4736167), wk = 0.0021882 k( 168) = ( 0.0518971 0.5352490 0.4675914), wk = 0.0021882 k( 169) = ( 0.0622764 0.5411805 0.4615661), wk = 0.0021882 k( 170) = ( 0.0726559 0.5471120 0.4555408), wk = 0.0021882 k( 171) = ( 0.0830353 0.5530434 0.4495155), wk = 0.0021882 k( 172) = ( 0.0934147 0.5589749 0.4434902), wk = 0.0021882 k( 173) = ( 0.1037941 0.5649064 0.4374649), wk = 0.0021882 k( 174) = ( 0.1141735 0.5708379 0.4314396), wk = 0.0021882 k( 175) = ( 0.1245529 0.5767693 0.4254143), wk = 0.0021882 k( 176) = ( 0.1349323 0.5827008 0.4193889), wk = 0.0021882 k( 177) = ( 0.1453117 0.5886323 0.4133636), wk = 0.0021882 k( 178) = ( 0.1556911 0.5945638 0.4073383), wk = 0.0021882 k( 179) = ( 0.1660705 0.6004952 0.4013130), wk = 0.0021882 k( 180) = ( 0.1764499 0.6064267 0.3952877), wk = 0.0021882 k( 181) = ( 0.1868294 0.6123582 0.3892624), wk = 0.0021882 k( 182) = ( 0.1972088 0.6182897 0.3832371), wk = 0.0021882 k( 183) = ( 0.2075882 0.6242212 0.3772118), wk = 0.0021882 k( 184) = ( 0.2179676 0.6301526 0.3711865), wk = 0.0021882 k( 185) = ( 0.2283470 0.6360841 0.3651612), wk = 0.0021882 k( 186) = ( 0.2387264 0.6420156 0.3591358), wk = 0.0021882 k( 187) = ( 0.2491058 0.6479471 0.3531105), wk = 0.0021882 k( 188) = ( 0.2594852 0.6538785 0.3470852), wk = 0.0021882 k( 189) = ( 0.2698646 0.6598100 0.3410599), wk = 0.0021882 k( 190) = ( 0.2802440 0.6657415 0.3350346), wk = 0.0021882 k( 191) = ( 0.2906235 0.6716730 0.3290093), wk = 0.0021882 k( 192) = ( 0.3010029 0.6776045 0.3229840), wk = 0.0021882 k( 193) = ( 0.3113823 0.6835359 0.3169587), wk = 0.0021882 k( 194) = ( 0.3217617 0.6894674 0.3109334), wk = 0.0021882 k( 195) = ( 0.3321411 0.6953989 0.3049081), wk = 0.0021882 k( 196) = ( 0.3425205 0.7013304 0.2988827), wk = 0.0021882 k( 197) = ( 0.3528999 0.7072618 0.2928574), wk = 0.0021882 k( 198) = ( 0.3528999 0.7072618 0.2928574), wk = 0.0021882 k( 199) = ( 0.3585576 0.7023894 0.2815937), wk = 0.0021882 k( 200) = ( 0.3642153 0.6975169 0.2703299), wk = 0.0021882 k( 201) = ( 0.3698730 0.6926444 0.2590662), wk = 0.0021882 k( 202) = ( 0.3755307 0.6877719 0.2478024), wk = 0.0021882 k( 203) = ( 0.3811884 0.6828995 0.2365387), wk = 0.0021882 k( 204) = ( 0.3868461 0.6780270 0.2252750), wk = 0.0021882 k( 205) = ( 0.3925038 0.6731545 0.2140112), wk = 0.0021882 k( 206) = ( 0.3981615 0.6682821 0.2027475), wk = 0.0021882 k( 207) = ( 0.4038192 0.6634096 0.1914837), wk = 0.0021882 k( 208) = ( 0.4094769 0.6585371 0.1802200), wk = 0.0021882 k( 209) = ( 0.4151346 0.6536646 0.1689562), wk = 0.0021882 k( 210) = ( 0.4207923 0.6487922 0.1576925), wk = 0.0021882 k( 211) = ( 0.4264500 0.6439197 0.1464287), wk = 0.0021882 k( 212) = ( 0.4321077 0.6390472 0.1351650), wk = 0.0021882 k( 213) = ( 0.4377653 0.6341747 0.1239012), wk = 0.0021882 k( 214) = ( 0.4434230 0.6293023 0.1126375), wk = 0.0021882 k( 215) = ( 0.4490807 0.6244298 0.1013737), wk = 0.0021882 k( 216) = ( 0.4547384 0.6195573 0.0901100), wk = 0.0021882 k( 217) = ( 0.4603961 0.6146849 0.0788462), wk = 0.0021882 k( 218) = ( 0.4660538 0.6098124 0.0675825), wk = 0.0021882 k( 219) = ( 0.4717115 0.6049399 0.0563187), wk = 0.0021882 k( 220) = ( 0.4773692 0.6000674 0.0450550), wk = 0.0021882 k( 221) = ( 0.4830269 0.5951950 0.0337912), wk = 0.0021882 k( 222) = ( 0.4886846 0.5903225 0.0225275), wk = 0.0021882 k( 223) = ( 0.4943423 0.5854500 0.0112638), wk = 0.0021882 k( 224) = ( 0.5000000 0.5805776 0.0000000), wk = 0.0021882 k( 225) = ( 0.5000000 0.5805776 0.0000000), wk = 0.0021882 k( 226) = ( 0.4912281 0.5703920 0.0000000), wk = 0.0021882 k( 227) = ( 0.4824561 0.5602064 0.0000000), wk = 0.0021882 k( 228) = ( 0.4736842 0.5500208 0.0000000), wk = 0.0021882 k( 229) = ( 0.4649123 0.5398353 0.0000000), wk = 0.0021882 k( 230) = ( 0.4561404 0.5296497 0.0000000), wk = 0.0021882 k( 231) = ( 0.4473684 0.5194641 0.0000000), wk = 0.0021882 k( 232) = ( 0.4385965 0.5092786 0.0000000), wk = 0.0021882 k( 233) = ( 0.4298246 0.4990930 0.0000000), wk = 0.0021882 k( 234) = ( 0.4210526 0.4889074 0.0000000), wk = 0.0021882 k( 235) = ( 0.4122807 0.4787218 0.0000000), wk = 0.0021882 k( 236) = ( 0.4035088 0.4685363 0.0000000), wk = 0.0021882 k( 237) = ( 0.3947368 0.4583507 0.0000000), wk = 0.0021882 k( 238) = ( 0.3859649 0.4481651 0.0000000), wk = 0.0021882 k( 239) = ( 0.3771930 0.4379796 0.0000000), wk = 0.0021882 k( 240) = ( 0.3684211 0.4277940 0.0000000), wk = 0.0021882 k( 241) = ( 0.3596491 0.4176084 0.0000000), wk = 0.0021882 k( 242) = ( 0.3508772 0.4074228 0.0000000), wk = 0.0021882 k( 243) = ( 0.3421053 0.3972373 0.0000000), wk = 0.0021882 k( 244) = ( 0.3333333 0.3870517 0.0000000), wk = 0.0021882 k( 245) = ( 0.3245614 0.3768661 0.0000000), wk = 0.0021882 k( 246) = ( 0.3157895 0.3666806 0.0000000), wk = 0.0021882 k( 247) = ( 0.3070175 0.3564950 0.0000000), wk = 0.0021882 k( 248) = ( 0.2982456 0.3463094 0.0000000), wk = 0.0021882 k( 249) = ( 0.2894737 0.3361238 0.0000000), wk = 0.0021882 k( 250) = ( 0.2807018 0.3259383 0.0000000), wk = 0.0021882 k( 251) = ( 0.2719298 0.3157527 0.0000000), wk = 0.0021882 k( 252) = ( 0.2631579 0.3055671 0.0000000), wk = 0.0021882 k( 253) = ( 0.2543860 0.2953816 0.0000000), wk = 0.0021882 k( 254) = ( 0.2456140 0.2851960 0.0000000), wk = 0.0021882 k( 255) = ( 0.2368421 0.2750104 0.0000000), wk = 0.0021882 k( 256) = ( 0.2280702 0.2648249 0.0000000), wk = 0.0021882 k( 257) = ( 0.2192983 0.2546393 0.0000000), wk = 0.0021882 k( 258) = ( 0.2105263 0.2444537 0.0000000), wk = 0.0021882 k( 259) = ( 0.2017544 0.2342681 0.0000000), wk = 0.0021882 k( 260) = ( 0.1929825 0.2240826 0.0000000), wk = 0.0021882 k( 261) = ( 0.1842105 0.2138970 0.0000000), wk = 0.0021882 k( 262) = ( 0.1754386 0.2037114 0.0000000), wk = 0.0021882 k( 263) = ( 0.1666667 0.1935259 0.0000000), wk = 0.0021882 k( 264) = ( 0.1578947 0.1833403 0.0000000), wk = 0.0021882 k( 265) = ( 0.1491228 0.1731547 0.0000000), wk = 0.0021882 k( 266) = ( 0.1403509 0.1629691 0.0000000), wk = 0.0021882 k( 267) = ( 0.1315790 0.1527836 0.0000000), wk = 0.0021882 k( 268) = ( 0.1228070 0.1425980 0.0000000), wk = 0.0021882 k( 269) = ( 0.1140351 0.1324124 0.0000000), wk = 0.0021882 k( 270) = ( 0.1052632 0.1222269 0.0000000), wk = 0.0021882 k( 271) = ( 0.0964912 0.1120413 0.0000000), wk = 0.0021882 k( 272) = ( 0.0877193 0.1018557 0.0000000), wk = 0.0021882 k( 273) = ( 0.0789474 0.0916701 0.0000000), wk = 0.0021882 k( 274) = ( 0.0701754 0.0814846 0.0000000), wk = 0.0021882 k( 275) = ( 0.0614035 0.0712990 0.0000000), wk = 0.0021882 k( 276) = ( 0.0526316 0.0611134 0.0000000), wk = 0.0021882 k( 277) = ( 0.0438597 0.0509279 0.0000000), wk = 0.0021882 k( 278) = ( 0.0350877 0.0407423 0.0000000), wk = 0.0021882 k( 279) = ( 0.0263158 0.0305567 0.0000000), wk = 0.0021882 k( 280) = ( 0.0175439 0.0203711 0.0000000), wk = 0.0021882 k( 281) = ( 0.0087719 0.0101856 0.0000000), wk = 0.0021882 k( 282) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021882 k( 283) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021882 k( 284) = ( 0.0084942 -0.0073153 0.0074310), wk = 0.0021882 k( 285) = ( 0.0169884 -0.0146306 0.0148621), wk = 0.0021882 k( 286) = ( 0.0254826 -0.0219459 0.0222931), wk = 0.0021882 k( 287) = ( 0.0339769 -0.0292613 0.0297242), wk = 0.0021882 k( 288) = ( 0.0424711 -0.0365766 0.0371552), wk = 0.0021882 k( 289) = ( 0.0509653 -0.0438919 0.0445862), wk = 0.0021882 k( 290) = ( 0.0594595 -0.0512072 0.0520173), wk = 0.0021882 k( 291) = ( 0.0679537 -0.0585225 0.0594483), wk = 0.0021882 k( 292) = ( 0.0764480 -0.0658379 0.0668794), wk = 0.0021882 k( 293) = ( 0.0849422 -0.0731532 0.0743104), wk = 0.0021882 k( 294) = ( 0.0934364 -0.0804685 0.0817415), wk = 0.0021882 k( 295) = ( 0.1019306 -0.0877838 0.0891725), wk = 0.0021882 k( 296) = ( 0.1104248 -0.0950991 0.0966035), wk = 0.0021882 k( 297) = ( 0.1189190 -0.1024144 0.1040346), wk = 0.0021882 k( 298) = ( 0.1274133 -0.1097297 0.1114656), wk = 0.0021882 k( 299) = ( 0.1359075 -0.1170451 0.1188967), wk = 0.0021882 k( 300) = ( 0.1444017 -0.1243604 0.1263277), wk = 0.0021882 k( 301) = ( 0.1528959 -0.1316757 0.1337587), wk = 0.0021882 k( 302) = ( 0.1613901 -0.1389910 0.1411898), wk = 0.0021882 k( 303) = ( 0.1698843 -0.1463063 0.1486208), wk = 0.0021882 k( 304) = ( 0.1783786 -0.1536217 0.1560519), wk = 0.0021882 k( 305) = ( 0.1868728 -0.1609370 0.1634829), wk = 0.0021882 k( 306) = ( 0.1953670 -0.1682523 0.1709140), wk = 0.0021882 k( 307) = ( 0.2038612 -0.1755676 0.1783450), wk = 0.0021882 k( 308) = ( 0.2123554 -0.1828829 0.1857760), wk = 0.0021882 k( 309) = ( 0.2208497 -0.1901982 0.1932071), wk = 0.0021882 k( 310) = ( 0.2293439 -0.1975135 0.2006381), wk = 0.0021882 k( 311) = ( 0.2378381 -0.2048289 0.2080692), wk = 0.0021882 k( 312) = ( 0.2463323 -0.2121442 0.2155002), wk = 0.0021882 k( 313) = ( 0.2548265 -0.2194595 0.2229312), wk = 0.0021882 k( 314) = ( 0.2633207 -0.2267748 0.2303623), wk = 0.0021882 k( 315) = ( 0.2718150 -0.2340901 0.2377933), wk = 0.0021882 k( 316) = ( 0.2803092 -0.2414055 0.2452244), wk = 0.0021882 k( 317) = ( 0.2888034 -0.2487208 0.2526554), wk = 0.0021882 k( 318) = ( 0.2972976 -0.2560361 0.2600864), wk = 0.0021882 k( 319) = ( 0.3057918 -0.2633514 0.2675175), wk = 0.0021882 k( 320) = ( 0.3142860 -0.2706667 0.2749485), wk = 0.0021882 k( 321) = ( 0.3227803 -0.2779820 0.2823796), wk = 0.0021882 k( 322) = ( 0.3312745 -0.2852974 0.2898106), wk = 0.0021882 k( 323) = ( 0.3397687 -0.2926127 0.2972417), wk = 0.0021882 k( 324) = ( 0.3482629 -0.2999280 0.3046727), wk = 0.0021882 k( 325) = ( 0.3567571 -0.3072433 0.3121037), wk = 0.0021882 k( 326) = ( 0.3652513 -0.3145586 0.3195348), wk = 0.0021882 k( 327) = ( 0.3737456 -0.3218739 0.3269658), wk = 0.0021882 k( 328) = ( 0.3822398 -0.3291893 0.3343969), wk = 0.0021882 k( 329) = ( 0.3907340 -0.3365046 0.3418279), wk = 0.0021882 k( 330) = ( 0.3992282 -0.3438199 0.3492589), wk = 0.0021882 k( 331) = ( 0.4077224 -0.3511352 0.3566900), wk = 0.0021882 k( 332) = ( 0.4162167 -0.3584505 0.3641210), wk = 0.0021882 k( 333) = ( 0.4247109 -0.3657658 0.3715521), wk = 0.0021882 k( 334) = ( 0.4332051 -0.3730812 0.3789831), wk = 0.0021882 k( 335) = ( 0.4416993 -0.3803965 0.3864142), wk = 0.0021882 k( 336) = ( 0.4501935 -0.3877118 0.3938452), wk = 0.0021882 k( 337) = ( 0.4586877 -0.3950271 0.4012762), wk = 0.0021882 k( 338) = ( 0.4671820 -0.4023424 0.4087073), wk = 0.0021882 k( 339) = ( 0.4756762 -0.4096577 0.4161383), wk = 0.0021882 k( 340) = ( 0.4841704 -0.4169731 0.4235694), wk = 0.0021882 k( 341) = ( 0.4841704 -0.4169731 0.4235694), wk = 0.0021882 k( 342) = ( 0.4845661 -0.4046741 0.4184479), wk = 0.0021882 k( 343) = ( 0.4849619 -0.3923751 0.4133263), wk = 0.0021882 k( 344) = ( 0.4853576 -0.3800761 0.4082048), wk = 0.0021882 k( 345) = ( 0.4857534 -0.3677772 0.4030833), wk = 0.0021882 k( 346) = ( 0.4861491 -0.3554782 0.3979618), wk = 0.0021882 k( 347) = ( 0.4865448 -0.3431792 0.3928403), wk = 0.0021882 k( 348) = ( 0.4869406 -0.3308802 0.3877188), wk = 0.0021882 k( 349) = ( 0.4873363 -0.3185813 0.3825973), wk = 0.0021882 k( 350) = ( 0.4877321 -0.3062823 0.3774757), wk = 0.0021882 k( 351) = ( 0.4881278 -0.2939833 0.3723542), wk = 0.0021882 k( 352) = ( 0.4885235 -0.2816843 0.3672327), wk = 0.0021882 k( 353) = ( 0.4889193 -0.2693854 0.3621112), wk = 0.0021882 k( 354) = ( 0.4893150 -0.2570864 0.3569897), wk = 0.0021882 k( 355) = ( 0.4897108 -0.2447874 0.3518682), wk = 0.0021882 k( 356) = ( 0.4901065 -0.2324884 0.3467467), wk = 0.0021882 k( 357) = ( 0.4905022 -0.2201895 0.3416252), wk = 0.0021882 k( 358) = ( 0.4908980 -0.2078905 0.3365036), wk = 0.0021882 k( 359) = ( 0.4912937 -0.1955915 0.3313821), wk = 0.0021882 k( 360) = ( 0.4916895 -0.1832925 0.3262606), wk = 0.0021882 k( 361) = ( 0.4920852 -0.1709936 0.3211391), wk = 0.0021882 k( 362) = ( 0.4924809 -0.1586946 0.3160176), wk = 0.0021882 k( 363) = ( 0.4928767 -0.1463956 0.3108961), wk = 0.0021882 k( 364) = ( 0.4932724 -0.1340966 0.3057746), wk = 0.0021882 k( 365) = ( 0.4936682 -0.1217977 0.3006530), wk = 0.0021882 k( 366) = ( 0.4940639 -0.1094987 0.2955315), wk = 0.0021882 k( 367) = ( 0.4944596 -0.0971997 0.2904100), wk = 0.0021882 k( 368) = ( 0.4948554 -0.0849007 0.2852885), wk = 0.0021882 k( 369) = ( 0.4952511 -0.0726018 0.2801670), wk = 0.0021882 k( 370) = ( 0.4956469 -0.0603028 0.2750455), wk = 0.0021882 k( 371) = ( 0.4960426 -0.0480038 0.2699240), wk = 0.0021882 k( 372) = ( 0.4964383 -0.0357048 0.2648024), wk = 0.0021882 k( 373) = ( 0.4968341 -0.0234059 0.2596809), wk = 0.0021882 k( 374) = ( 0.4972298 -0.0111069 0.2545594), wk = 0.0021882 k( 375) = ( 0.4976256 0.0011921 0.2494379), wk = 0.0021882 k( 376) = ( 0.4980213 0.0134911 0.2443164), wk = 0.0021882 k( 377) = ( 0.4984170 0.0257900 0.2391949), wk = 0.0021882 k( 378) = ( 0.4988128 0.0380890 0.2340734), wk = 0.0021882 k( 379) = ( 0.4992085 0.0503880 0.2289519), wk = 0.0021882 k( 380) = ( 0.4996043 0.0626870 0.2238303), wk = 0.0021882 k( 381) = ( 0.5000000 0.0749859 0.2187088), wk = 0.0021882 k( 382) = ( 0.5000000 0.0749859 0.2187088), wk = 0.0021882 k( 383) = ( 0.4944444 0.0797704 0.2297692), wk = 0.0021882 k( 384) = ( 0.4888889 0.0845550 0.2408296), wk = 0.0021882 k( 385) = ( 0.4833333 0.0893395 0.2518900), wk = 0.0021882 k( 386) = ( 0.4777778 0.0941240 0.2629504), wk = 0.0021882 k( 387) = ( 0.4722222 0.0989085 0.2740108), wk = 0.0021882 k( 388) = ( 0.4666667 0.1036930 0.2850712), wk = 0.0021882 k( 389) = ( 0.4611111 0.1084775 0.2961316), wk = 0.0021882 k( 390) = ( 0.4555556 0.1132620 0.3071920), wk = 0.0021882 k( 391) = ( 0.4500000 0.1180465 0.3182524), wk = 0.0021882 k( 392) = ( 0.4444444 0.1228310 0.3293128), wk = 0.0021882 k( 393) = ( 0.4388889 0.1276155 0.3403732), wk = 0.0021882 k( 394) = ( 0.4333333 0.1324000 0.3514336), wk = 0.0021882 k( 395) = ( 0.4277778 0.1371845 0.3624940), wk = 0.0021882 k( 396) = ( 0.4222222 0.1419690 0.3735544), wk = 0.0021882 k( 397) = ( 0.4166667 0.1467535 0.3846148), wk = 0.0021882 k( 398) = ( 0.4111111 0.1515381 0.3956752), wk = 0.0021882 k( 399) = ( 0.4055556 0.1563226 0.4067356), wk = 0.0021882 k( 400) = ( 0.4000000 0.1611071 0.4177960), wk = 0.0021882 k( 401) = ( 0.3944444 0.1658916 0.4288564), wk = 0.0021882 k( 402) = ( 0.3888889 0.1706761 0.4399168), wk = 0.0021882 k( 403) = ( 0.3833333 0.1754606 0.4509772), wk = 0.0021882 k( 404) = ( 0.3777778 0.1802451 0.4620376), wk = 0.0021882 k( 405) = ( 0.3722222 0.1850296 0.4730980), wk = 0.0021882 k( 406) = ( 0.3666667 0.1898141 0.4841584), wk = 0.0021882 k( 407) = ( 0.3611111 0.1945986 0.4952188), wk = 0.0021882 k( 408) = ( 0.3555556 0.1993831 0.5062792), wk = 0.0021882 k( 409) = ( 0.3500000 0.2041676 0.5173396), wk = 0.0021882 k( 410) = ( 0.3444444 0.2089522 0.5284000), wk = 0.0021882 k( 411) = ( 0.3388889 0.2137367 0.5394604), wk = 0.0021882 k( 412) = ( 0.3333333 0.2185212 0.5505208), wk = 0.0021882 k( 413) = ( 0.3277778 0.2233057 0.5615812), wk = 0.0021882 k( 414) = ( 0.3222222 0.2280902 0.5726416), wk = 0.0021882 k( 415) = ( 0.3166667 0.2328747 0.5837020), wk = 0.0021882 k( 416) = ( 0.3111111 0.2376592 0.5947624), wk = 0.0021882 k( 417) = ( 0.3055556 0.2424437 0.6058228), wk = 0.0021882 k( 418) = ( 0.3000000 0.2472282 0.6168832), wk = 0.0021882 k( 419) = ( 0.2944444 0.2520127 0.6279436), wk = 0.0021882 k( 420) = ( 0.2888889 0.2567972 0.6390040), wk = 0.0021882 k( 421) = ( 0.2833333 0.2615817 0.6500644), wk = 0.0021882 k( 422) = ( 0.2777778 0.2663662 0.6611248), wk = 0.0021882 k( 423) = ( 0.2722222 0.2711508 0.6721852), wk = 0.0021882 k( 424) = ( 0.2666667 0.2759353 0.6832456), wk = 0.0021882 k( 425) = ( 0.2611111 0.2807198 0.6943060), wk = 0.0021882 k( 426) = ( 0.2555556 0.2855043 0.7053664), wk = 0.0021882 k( 427) = ( 0.2500000 0.2902888 0.7164268), wk = 0.0021882 k( 428) = ( 0.3370703 -0.2902888 0.7164268), wk = 0.0021882 k( 429) = ( 0.3427280 -0.2951613 0.7051630), wk = 0.0021882 k( 430) = ( 0.3483857 -0.3000337 0.6938993), wk = 0.0021882 k( 431) = ( 0.3540434 -0.3049062 0.6826356), wk = 0.0021882 k( 432) = ( 0.3597011 -0.3097787 0.6713718), wk = 0.0021882 k( 433) = ( 0.3653588 -0.3146511 0.6601081), wk = 0.0021882 k( 434) = ( 0.3710165 -0.3195236 0.6488443), wk = 0.0021882 k( 435) = ( 0.3766742 -0.3243961 0.6375806), wk = 0.0021882 k( 436) = ( 0.3823319 -0.3292686 0.6263168), wk = 0.0021882 k( 437) = ( 0.3879896 -0.3341410 0.6150531), wk = 0.0021882 k( 438) = ( 0.3936473 -0.3390135 0.6037893), wk = 0.0021882 k( 439) = ( 0.3993050 -0.3438860 0.5925256), wk = 0.0021882 k( 440) = ( 0.4049626 -0.3487584 0.5812618), wk = 0.0021882 k( 441) = ( 0.4106204 -0.3536309 0.5699981), wk = 0.0021882 k( 442) = ( 0.4162781 -0.3585034 0.5587343), wk = 0.0021882 k( 443) = ( 0.4219357 -0.3633759 0.5474706), wk = 0.0021882 k( 444) = ( 0.4275934 -0.3682483 0.5362068), wk = 0.0021882 k( 445) = ( 0.4332511 -0.3731208 0.5249431), wk = 0.0021882 k( 446) = ( 0.4389088 -0.3779933 0.5136793), wk = 0.0021882 k( 447) = ( 0.4445665 -0.3828658 0.5024156), wk = 0.0021882 k( 448) = ( 0.4502242 -0.3877382 0.4911518), wk = 0.0021882 k( 449) = ( 0.4558819 -0.3926107 0.4798881), wk = 0.0021882 k( 450) = ( 0.4615396 -0.3974832 0.4686244), wk = 0.0021882 k( 451) = ( 0.4671973 -0.4023556 0.4573606), wk = 0.0021882 k( 452) = ( 0.4728550 -0.4072281 0.4460969), wk = 0.0021882 k( 453) = ( 0.4785127 -0.4121006 0.4348331), wk = 0.0021882 k( 454) = ( 0.4841704 -0.4169731 0.4235694), wk = 0.0021882 k( 455) = ( 0.5158296 0.5669449 0.0138483), wk = 0.0021882 k( 456) = ( 0.5079148 0.5737612 0.0069241), wk = 0.0021882 k( 457) = ( 0.5000000 0.5805776 0.0000000), wk = 0.0021882 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021882 k( 2) = ( -0.0056016 0.0056016 0.0056016), wk = 0.0021882 k( 3) = ( -0.0112032 0.0112032 0.0112032), wk = 0.0021882 k( 4) = ( -0.0168048 0.0168048 0.0168048), wk = 0.0021882 k( 5) = ( -0.0224063 0.0224063 0.0224063), wk = 0.0021882 k( 6) = ( -0.0280079 0.0280079 0.0280079), wk = 0.0021882 k( 7) = ( -0.0336095 0.0336095 0.0336095), wk = 0.0021882 k( 8) = ( -0.0392111 0.0392111 0.0392111), wk = 0.0021882 k( 9) = ( -0.0448127 0.0448127 0.0448127), wk = 0.0021882 k( 10) = ( -0.0504143 0.0504143 0.0504143), wk = 0.0021882 k( 11) = ( -0.0560159 0.0560159 0.0560159), wk = 0.0021882 k( 12) = ( -0.0616174 0.0616174 0.0616174), wk = 0.0021882 k( 13) = ( -0.0672190 0.0672190 0.0672190), wk = 0.0021882 k( 14) = ( -0.0728206 0.0728206 0.0728206), wk = 0.0021882 k( 15) = ( -0.0784222 0.0784222 0.0784222), wk = 0.0021882 k( 16) = ( -0.0840238 0.0840238 0.0840238), wk = 0.0021882 k( 17) = ( -0.0896254 0.0896254 0.0896254), wk = 0.0021882 k( 18) = ( -0.0952270 0.0952270 0.0952270), wk = 0.0021882 k( 19) = ( -0.1008286 0.1008285 0.1008286), wk = 0.0021882 k( 20) = ( -0.1064301 0.1064301 0.1064301), wk = 0.0021882 k( 21) = ( -0.1120317 0.1120317 0.1120317), wk = 0.0021882 k( 22) = ( -0.1176333 0.1176333 0.1176333), wk = 0.0021882 k( 23) = ( -0.1232349 0.1232349 0.1232349), wk = 0.0021882 k( 24) = ( -0.1288365 0.1288365 0.1288365), wk = 0.0021882 k( 25) = ( -0.1344381 0.1344381 0.1344381), wk = 0.0021882 k( 26) = ( -0.1400396 0.1400396 0.1400396), wk = 0.0021882 k( 27) = ( -0.1456412 0.1456412 0.1456412), wk = 0.0021882 k( 28) = ( -0.1512428 0.1512428 0.1512428), wk = 0.0021882 k( 29) = ( -0.1568444 0.1568444 0.1568444), wk = 0.0021882 k( 30) = ( -0.1624460 0.1624460 0.1624460), wk = 0.0021882 k( 31) = ( -0.1680476 0.1680476 0.1680476), wk = 0.0021882 k( 32) = ( -0.1736492 0.1736492 0.1736492), wk = 0.0021882 k( 33) = ( -0.1792507 0.1792507 0.1792507), wk = 0.0021882 k( 34) = ( -0.1848523 0.1848523 0.1848523), wk = 0.0021882 k( 35) = ( -0.1904539 0.1904539 0.1904539), wk = 0.0021882 k( 36) = ( -0.1960555 0.1960555 0.1960555), wk = 0.0021882 k( 37) = ( -0.2016571 0.2016571 0.2016571), wk = 0.0021882 k( 38) = ( -0.2072587 0.2072587 0.2072587), wk = 0.0021882 k( 39) = ( -0.2128603 0.2128603 0.2128603), wk = 0.0021882 k( 40) = ( -0.2184619 0.2184618 0.2184619), wk = 0.0021882 k( 41) = ( -0.2240634 0.2240634 0.2240634), wk = 0.0021882 k( 42) = ( -0.2296650 0.2296650 0.2296650), wk = 0.0021882 k( 43) = ( -0.2352666 0.2352666 0.2352666), wk = 0.0021882 k( 44) = ( -0.2408682 0.2408682 0.2408682), wk = 0.0021882 k( 45) = ( -0.2464698 0.2464698 0.2464698), wk = 0.0021882 k( 46) = ( -0.2520714 0.2520714 0.2520714), wk = 0.0021882 k( 47) = ( -0.2576730 0.2576729 0.2576730), wk = 0.0021882 k( 48) = ( -0.2632745 0.2632745 0.2632745), wk = 0.0021882 k( 49) = ( -0.2688761 0.2688761 0.2688761), wk = 0.0021882 k( 50) = ( -0.2744777 0.2744777 0.2744777), wk = 0.0021882 k( 51) = ( -0.2800793 0.2800793 0.2800793), wk = 0.0021882 k( 52) = ( -0.2856809 0.2856809 0.2856809), wk = 0.0021882 k( 53) = ( -0.2912825 0.2912825 0.2912825), wk = 0.0021882 k( 54) = ( -0.2968841 0.2968840 0.2968841), wk = 0.0021882 k( 55) = ( -0.3024856 0.3024856 0.3024856), wk = 0.0021882 k( 56) = ( -0.3080872 0.3080872 0.3080872), wk = 0.0021882 k( 57) = ( -0.3136888 0.3136888 0.3136888), wk = 0.0021882 k( 58) = ( -0.3192904 0.3192904 0.3192904), wk = 0.0021882 k( 59) = ( -0.3248920 0.3248920 0.3248920), wk = 0.0021882 k( 60) = ( -0.3304936 0.3304936 0.3304936), wk = 0.0021882 k( 61) = ( -0.3360952 0.3360952 0.3360951), wk = 0.0021882 k( 62) = ( -0.3416967 0.3416967 0.3416967), wk = 0.0021882 k( 63) = ( -0.3472983 0.3472983 0.3472983), wk = 0.0021882 k( 64) = ( -0.3528999 0.3528999 0.3528999), wk = 0.0021882 k( 65) = ( -0.3528999 0.3528999 0.3528999), wk = 0.0021882 k( 66) = ( -0.3449851 0.3449851 0.3608147), wk = 0.0021882 k( 67) = ( -0.3370703 0.3370703 0.3687295), wk = 0.0021882 k( 68) = ( -0.3370703 0.3370703 0.3687295), wk = 0.0021882 k( 69) = ( -0.3268561 0.3268560 0.3727074), wk = 0.0021882 k( 70) = ( -0.3166418 0.3166418 0.3766853), wk = 0.0021882 k( 71) = ( -0.3064275 0.3064275 0.3806632), wk = 0.0021882 k( 72) = ( -0.2962133 0.2962133 0.3846411), wk = 0.0021882 k( 73) = ( -0.2859990 0.2859990 0.3886190), wk = 0.0021882 k( 74) = ( -0.2757848 0.2757848 0.3925969), wk = 0.0021882 k( 75) = ( -0.2655705 0.2655705 0.3965748), wk = 0.0021882 k( 76) = ( -0.2553563 0.2553563 0.4005527), wk = 0.0021882 k( 77) = ( -0.2451420 0.2451420 0.4045306), wk = 0.0021882 k( 78) = ( -0.2349278 0.2349278 0.4085085), wk = 0.0021882 k( 79) = ( -0.2247135 0.2247135 0.4124863), wk = 0.0021882 k( 80) = ( -0.2144993 0.2144993 0.4164642), wk = 0.0021882 k( 81) = ( -0.2042850 0.2042850 0.4204421), wk = 0.0021882 k( 82) = ( -0.1940708 0.1940708 0.4244200), wk = 0.0021882 k( 83) = ( -0.1838565 0.1838565 0.4283979), wk = 0.0021882 k( 84) = ( -0.1736423 0.1736423 0.4323758), wk = 0.0021882 k( 85) = ( -0.1634280 0.1634280 0.4363537), wk = 0.0021882 k( 86) = ( -0.1532138 0.1532138 0.4403316), wk = 0.0021882 k( 87) = ( -0.1429995 0.1429995 0.4443095), wk = 0.0021882 k( 88) = ( -0.1327853 0.1327853 0.4482874), wk = 0.0021882 k( 89) = ( -0.1225710 0.1225710 0.4522653), wk = 0.0021882 k( 90) = ( -0.1123568 0.1123568 0.4562432), wk = 0.0021882 k( 91) = ( -0.1021425 0.1021425 0.4602211), wk = 0.0021882 k( 92) = ( -0.0919283 0.0919283 0.4641990), wk = 0.0021882 k( 93) = ( -0.0817140 0.0817140 0.4681769), wk = 0.0021882 k( 94) = ( -0.0714998 0.0714998 0.4721547), wk = 0.0021882 k( 95) = ( -0.0612855 0.0612855 0.4761326), wk = 0.0021882 k( 96) = ( -0.0510713 0.0510713 0.4801105), wk = 0.0021882 k( 97) = ( -0.0408570 0.0408570 0.4840884), wk = 0.0021882 k( 98) = ( -0.0306427 0.0306427 0.4880663), wk = 0.0021882 k( 99) = ( -0.0204285 0.0204285 0.4920442), wk = 0.0021882 k( 100) = ( -0.0102142 0.0102142 0.4960221), wk = 0.0021882 k( 101) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021882 k( 102) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021882 k( 103) = ( 0.0086207 0.0086207 0.4913793), wk = 0.0021882 k( 104) = ( 0.0172414 0.0172414 0.4827586), wk = 0.0021882 k( 105) = ( 0.0258621 0.0258621 0.4741379), wk = 0.0021882 k( 106) = ( 0.0344828 0.0344828 0.4655172), wk = 0.0021882 k( 107) = ( 0.0431035 0.0431035 0.4568966), wk = 0.0021882 k( 108) = ( 0.0517241 0.0517241 0.4482759), wk = 0.0021882 k( 109) = ( 0.0603448 0.0603448 0.4396552), wk = 0.0021882 k( 110) = ( 0.0689655 0.0689655 0.4310345), wk = 0.0021882 k( 111) = ( 0.0775862 0.0775862 0.4224138), wk = 0.0021882 k( 112) = ( 0.0862069 0.0862069 0.4137931), wk = 0.0021882 k( 113) = ( 0.0948276 0.0948276 0.4051724), wk = 0.0021882 k( 114) = ( 0.1034483 0.1034483 0.3965517), wk = 0.0021882 k( 115) = ( 0.1120690 0.1120690 0.3879310), wk = 0.0021882 k( 116) = ( 0.1206897 0.1206897 0.3793103), wk = 0.0021882 k( 117) = ( 0.1293103 0.1293103 0.3706897), wk = 0.0021882 k( 118) = ( 0.1379310 0.1379310 0.3620690), wk = 0.0021882 k( 119) = ( 0.1465517 0.1465517 0.3534483), wk = 0.0021882 k( 120) = ( 0.1551724 0.1551724 0.3448276), wk = 0.0021882 k( 121) = ( 0.1637931 0.1637931 0.3362069), wk = 0.0021882 k( 122) = ( 0.1724138 0.1724138 0.3275862), wk = 0.0021882 k( 123) = ( 0.1810345 0.1810345 0.3189655), wk = 0.0021882 k( 124) = ( 0.1896552 0.1896552 0.3103448), wk = 0.0021882 k( 125) = ( 0.1982759 0.1982759 0.3017241), wk = 0.0021882 k( 126) = ( 0.2068966 0.2068966 0.2931034), wk = 0.0021882 k( 127) = ( 0.2155172 0.2155172 0.2844828), wk = 0.0021882 k( 128) = ( 0.2241379 0.2241379 0.2758621), wk = 0.0021882 k( 129) = ( 0.2327586 0.2327586 0.2672414), wk = 0.0021882 k( 130) = ( 0.2413793 0.2413793 0.2586207), wk = 0.0021882 k( 131) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0021882 k( 132) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0021882 k( 133) = ( 0.2416667 0.2583333 0.2416667), wk = 0.0021882 k( 134) = ( 0.2333333 0.2666667 0.2333333), wk = 0.0021882 k( 135) = ( 0.2250000 0.2750000 0.2250000), wk = 0.0021882 k( 136) = ( 0.2166667 0.2833333 0.2166667), wk = 0.0021882 k( 137) = ( 0.2083333 0.2916667 0.2083333), wk = 0.0021882 k( 138) = ( 0.2000000 0.3000000 0.2000000), wk = 0.0021882 k( 139) = ( 0.1916667 0.3083333 0.1916667), wk = 0.0021882 k( 140) = ( 0.1833333 0.3166667 0.1833333), wk = 0.0021882 k( 141) = ( 0.1750000 0.3250000 0.1750000), wk = 0.0021882 k( 142) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0021882 k( 143) = ( 0.1583333 0.3416667 0.1583333), wk = 0.0021882 k( 144) = ( 0.1500000 0.3500000 0.1500000), wk = 0.0021882 k( 145) = ( 0.1416667 0.3583333 0.1416667), wk = 0.0021882 k( 146) = ( 0.1333333 0.3666667 0.1333333), wk = 0.0021882 k( 147) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0021882 k( 148) = ( 0.1166667 0.3833333 0.1166667), wk = 0.0021882 k( 149) = ( 0.1083333 0.3916667 0.1083333), wk = 0.0021882 k( 150) = ( 0.1000000 0.4000000 0.1000000), wk = 0.0021882 k( 151) = ( 0.0916667 0.4083333 0.0916667), wk = 0.0021882 k( 152) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0021882 k( 153) = ( 0.0750000 0.4250000 0.0750000), wk = 0.0021882 k( 154) = ( 0.0666667 0.4333333 0.0666667), wk = 0.0021882 k( 155) = ( 0.0583333 0.4416667 0.0583333), wk = 0.0021882 k( 156) = ( 0.0500000 0.4500000 0.0500000), wk = 0.0021882 k( 157) = ( 0.0416667 0.4583333 0.0416667), wk = 0.0021882 k( 158) = ( 0.0333333 0.4666667 0.0333333), wk = 0.0021882 k( 159) = ( 0.0250000 0.4750000 0.0250000), wk = 0.0021882 k( 160) = ( 0.0166667 0.4833333 0.0166667), wk = 0.0021882 k( 161) = ( 0.0083333 0.4916667 0.0083333), wk = 0.0021882 k( 162) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0021882 k( 163) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0021882 k( 164) = ( 0.0103794 0.5043265 -0.0103794), wk = 0.0021882 k( 165) = ( 0.0207588 0.5086529 -0.0207588), wk = 0.0021882 k( 166) = ( 0.0311382 0.5129794 -0.0311382), wk = 0.0021882 k( 167) = ( 0.0415176 0.5173059 -0.0415176), wk = 0.0021882 k( 168) = ( 0.0518971 0.5216324 -0.0518971), wk = 0.0021882 k( 169) = ( 0.0622764 0.5259588 -0.0622764), wk = 0.0021882 k( 170) = ( 0.0726559 0.5302853 -0.0726559), wk = 0.0021882 k( 171) = ( 0.0830353 0.5346118 -0.0830353), wk = 0.0021882 k( 172) = ( 0.0934147 0.5389383 -0.0934147), wk = 0.0021882 k( 173) = ( 0.1037941 0.5432647 -0.1037941), wk = 0.0021882 k( 174) = ( 0.1141735 0.5475912 -0.1141735), wk = 0.0021882 k( 175) = ( 0.1245529 0.5519177 -0.1245529), wk = 0.0021882 k( 176) = ( 0.1349323 0.5562442 -0.1349323), wk = 0.0021882 k( 177) = ( 0.1453117 0.5605706 -0.1453117), wk = 0.0021882 k( 178) = ( 0.1556911 0.5648971 -0.1556911), wk = 0.0021882 k( 179) = ( 0.1660705 0.5692236 -0.1660705), wk = 0.0021882 k( 180) = ( 0.1764499 0.5735501 -0.1764499), wk = 0.0021882 k( 181) = ( 0.1868294 0.5778765 -0.1868294), wk = 0.0021882 k( 182) = ( 0.1972088 0.5822030 -0.1972088), wk = 0.0021882 k( 183) = ( 0.2075882 0.5865295 -0.2075882), wk = 0.0021882 k( 184) = ( 0.2179676 0.5908559 -0.2179676), wk = 0.0021882 k( 185) = ( 0.2283470 0.5951824 -0.2283470), wk = 0.0021882 k( 186) = ( 0.2387264 0.5995089 -0.2387264), wk = 0.0021882 k( 187) = ( 0.2491058 0.6038354 -0.2491058), wk = 0.0021882 k( 188) = ( 0.2594852 0.6081618 -0.2594852), wk = 0.0021882 k( 189) = ( 0.2698646 0.6124883 -0.2698646), wk = 0.0021882 k( 190) = ( 0.2802440 0.6168148 -0.2802440), wk = 0.0021882 k( 191) = ( 0.2906235 0.6211412 -0.2906235), wk = 0.0021882 k( 192) = ( 0.3010029 0.6254677 -0.3010029), wk = 0.0021882 k( 193) = ( 0.3113823 0.6297942 -0.3113823), wk = 0.0021882 k( 194) = ( 0.3217617 0.6341207 -0.3217617), wk = 0.0021882 k( 195) = ( 0.3321411 0.6384471 -0.3321411), wk = 0.0021882 k( 196) = ( 0.3425205 0.6427736 -0.3425205), wk = 0.0021882 k( 197) = ( 0.3528999 0.6471001 -0.3528999), wk = 0.0021882 k( 198) = ( 0.3528999 0.6471001 -0.3528999), wk = 0.0021882 k( 199) = ( 0.3585576 0.6414424 -0.3585576), wk = 0.0021882 k( 200) = ( 0.3642153 0.6357847 -0.3642153), wk = 0.0021882 k( 201) = ( 0.3698730 0.6301270 -0.3698730), wk = 0.0021882 k( 202) = ( 0.3755307 0.6244693 -0.3755307), wk = 0.0021882 k( 203) = ( 0.3811884 0.6188116 -0.3811884), wk = 0.0021882 k( 204) = ( 0.3868461 0.6131539 -0.3868461), wk = 0.0021882 k( 205) = ( 0.3925038 0.6074962 -0.3925038), wk = 0.0021882 k( 206) = ( 0.3981615 0.6018385 -0.3981615), wk = 0.0021882 k( 207) = ( 0.4038192 0.5961808 -0.4038192), wk = 0.0021882 k( 208) = ( 0.4094769 0.5905231 -0.4094769), wk = 0.0021882 k( 209) = ( 0.4151346 0.5848654 -0.4151346), wk = 0.0021882 k( 210) = ( 0.4207923 0.5792077 -0.4207923), wk = 0.0021882 k( 211) = ( 0.4264500 0.5735501 -0.4264499), wk = 0.0021882 k( 212) = ( 0.4321077 0.5678923 -0.4321077), wk = 0.0021882 k( 213) = ( 0.4377653 0.5622346 -0.4377653), wk = 0.0021882 k( 214) = ( 0.4434230 0.5565770 -0.4434230), wk = 0.0021882 k( 215) = ( 0.4490807 0.5509193 -0.4490807), wk = 0.0021882 k( 216) = ( 0.4547384 0.5452616 -0.4547384), wk = 0.0021882 k( 217) = ( 0.4603961 0.5396039 -0.4603961), wk = 0.0021882 k( 218) = ( 0.4660538 0.5339462 -0.4660538), wk = 0.0021882 k( 219) = ( 0.4717115 0.5282885 -0.4717115), wk = 0.0021882 k( 220) = ( 0.4773692 0.5226308 -0.4773692), wk = 0.0021882 k( 221) = ( 0.4830269 0.5169731 -0.4830269), wk = 0.0021882 k( 222) = ( 0.4886846 0.5113154 -0.4886846), wk = 0.0021882 k( 223) = ( 0.4943423 0.5056577 -0.4943423), wk = 0.0021882 k( 224) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0021882 k( 225) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0021882 k( 226) = ( 0.4912281 0.4912281 -0.4912281), wk = 0.0021882 k( 227) = ( 0.4824561 0.4824561 -0.4824561), wk = 0.0021882 k( 228) = ( 0.4736842 0.4736842 -0.4736842), wk = 0.0021882 k( 229) = ( 0.4649123 0.4649123 -0.4649123), wk = 0.0021882 k( 230) = ( 0.4561404 0.4561403 -0.4561404), wk = 0.0021882 k( 231) = ( 0.4473684 0.4473684 -0.4473684), wk = 0.0021882 k( 232) = ( 0.4385965 0.4385965 -0.4385965), wk = 0.0021882 k( 233) = ( 0.4298246 0.4298246 -0.4298246), wk = 0.0021882 k( 234) = ( 0.4210526 0.4210526 -0.4210526), wk = 0.0021882 k( 235) = ( 0.4122807 0.4122807 -0.4122807), wk = 0.0021882 k( 236) = ( 0.4035088 0.4035088 -0.4035088), wk = 0.0021882 k( 237) = ( 0.3947368 0.3947368 -0.3947368), wk = 0.0021882 k( 238) = ( 0.3859649 0.3859649 -0.3859649), wk = 0.0021882 k( 239) = ( 0.3771930 0.3771930 -0.3771930), wk = 0.0021882 k( 240) = ( 0.3684211 0.3684211 -0.3684211), wk = 0.0021882 k( 241) = ( 0.3596491 0.3596491 -0.3596491), wk = 0.0021882 k( 242) = ( 0.3508772 0.3508772 -0.3508772), wk = 0.0021882 k( 243) = ( 0.3421053 0.3421053 -0.3421053), wk = 0.0021882 k( 244) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0021882 k( 245) = ( 0.3245614 0.3245614 -0.3245614), wk = 0.0021882 k( 246) = ( 0.3157895 0.3157895 -0.3157895), wk = 0.0021882 k( 247) = ( 0.3070175 0.3070175 -0.3070175), wk = 0.0021882 k( 248) = ( 0.2982456 0.2982456 -0.2982456), wk = 0.0021882 k( 249) = ( 0.2894737 0.2894737 -0.2894737), wk = 0.0021882 k( 250) = ( 0.2807018 0.2807018 -0.2807018), wk = 0.0021882 k( 251) = ( 0.2719298 0.2719298 -0.2719298), wk = 0.0021882 k( 252) = ( 0.2631579 0.2631579 -0.2631579), wk = 0.0021882 k( 253) = ( 0.2543860 0.2543860 -0.2543860), wk = 0.0021882 k( 254) = ( 0.2456140 0.2456140 -0.2456140), wk = 0.0021882 k( 255) = ( 0.2368421 0.2368421 -0.2368421), wk = 0.0021882 k( 256) = ( 0.2280702 0.2280702 -0.2280702), wk = 0.0021882 k( 257) = ( 0.2192983 0.2192983 -0.2192983), wk = 0.0021882 k( 258) = ( 0.2105263 0.2105263 -0.2105263), wk = 0.0021882 k( 259) = ( 0.2017544 0.2017544 -0.2017544), wk = 0.0021882 k( 260) = ( 0.1929825 0.1929825 -0.1929825), wk = 0.0021882 k( 261) = ( 0.1842105 0.1842105 -0.1842105), wk = 0.0021882 k( 262) = ( 0.1754386 0.1754386 -0.1754386), wk = 0.0021882 k( 263) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0021882 k( 264) = ( 0.1578947 0.1578947 -0.1578947), wk = 0.0021882 k( 265) = ( 0.1491228 0.1491228 -0.1491228), wk = 0.0021882 k( 266) = ( 0.1403509 0.1403509 -0.1403509), wk = 0.0021882 k( 267) = ( 0.1315790 0.1315790 -0.1315790), wk = 0.0021882 k( 268) = ( 0.1228070 0.1228070 -0.1228070), wk = 0.0021882 k( 269) = ( 0.1140351 0.1140351 -0.1140351), wk = 0.0021882 k( 270) = ( 0.1052632 0.1052632 -0.1052632), wk = 0.0021882 k( 271) = ( 0.0964912 0.0964912 -0.0964912), wk = 0.0021882 k( 272) = ( 0.0877193 0.0877193 -0.0877193), wk = 0.0021882 k( 273) = ( 0.0789474 0.0789474 -0.0789474), wk = 0.0021882 k( 274) = ( 0.0701754 0.0701754 -0.0701754), wk = 0.0021882 k( 275) = ( 0.0614035 0.0614035 -0.0614035), wk = 0.0021882 k( 276) = ( 0.0526316 0.0526316 -0.0526316), wk = 0.0021882 k( 277) = ( 0.0438597 0.0438597 -0.0438597), wk = 0.0021882 k( 278) = ( 0.0350877 0.0350877 -0.0350877), wk = 0.0021882 k( 279) = ( 0.0263158 0.0263158 -0.0263158), wk = 0.0021882 k( 280) = ( 0.0175439 0.0175439 -0.0175439), wk = 0.0021882 k( 281) = ( 0.0087719 0.0087719 -0.0087719), wk = 0.0021882 k( 282) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021882 k( 283) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021882 k( 284) = ( 0.0084942 -0.0084942 0.0084942), wk = 0.0021882 k( 285) = ( 0.0169884 -0.0169884 0.0169884), wk = 0.0021882 k( 286) = ( 0.0254826 -0.0254826 0.0254826), wk = 0.0021882 k( 287) = ( 0.0339769 -0.0339769 0.0339769), wk = 0.0021882 k( 288) = ( 0.0424711 -0.0424711 0.0424711), wk = 0.0021882 k( 289) = ( 0.0509653 -0.0509653 0.0509653), wk = 0.0021882 k( 290) = ( 0.0594595 -0.0594595 0.0594595), wk = 0.0021882 k( 291) = ( 0.0679537 -0.0679537 0.0679537), wk = 0.0021882 k( 292) = ( 0.0764480 -0.0764480 0.0764480), wk = 0.0021882 k( 293) = ( 0.0849422 -0.0849422 0.0849422), wk = 0.0021882 k( 294) = ( 0.0934364 -0.0934364 0.0934364), wk = 0.0021882 k( 295) = ( 0.1019306 -0.1019306 0.1019306), wk = 0.0021882 k( 296) = ( 0.1104248 -0.1104248 0.1104248), wk = 0.0021882 k( 297) = ( 0.1189190 -0.1189190 0.1189190), wk = 0.0021882 k( 298) = ( 0.1274133 -0.1274133 0.1274133), wk = 0.0021882 k( 299) = ( 0.1359075 -0.1359075 0.1359075), wk = 0.0021882 k( 300) = ( 0.1444017 -0.1444017 0.1444017), wk = 0.0021882 k( 301) = ( 0.1528959 -0.1528959 0.1528959), wk = 0.0021882 k( 302) = ( 0.1613901 -0.1613901 0.1613901), wk = 0.0021882 k( 303) = ( 0.1698843 -0.1698843 0.1698843), wk = 0.0021882 k( 304) = ( 0.1783786 -0.1783786 0.1783786), wk = 0.0021882 k( 305) = ( 0.1868728 -0.1868728 0.1868728), wk = 0.0021882 k( 306) = ( 0.1953670 -0.1953670 0.1953670), wk = 0.0021882 k( 307) = ( 0.2038612 -0.2038612 0.2038612), wk = 0.0021882 k( 308) = ( 0.2123554 -0.2123554 0.2123554), wk = 0.0021882 k( 309) = ( 0.2208497 -0.2208496 0.2208496), wk = 0.0021882 k( 310) = ( 0.2293439 -0.2293439 0.2293439), wk = 0.0021882 k( 311) = ( 0.2378381 -0.2378381 0.2378381), wk = 0.0021882 k( 312) = ( 0.2463323 -0.2463323 0.2463323), wk = 0.0021882 k( 313) = ( 0.2548265 -0.2548265 0.2548265), wk = 0.0021882 k( 314) = ( 0.2633207 -0.2633207 0.2633207), wk = 0.0021882 k( 315) = ( 0.2718150 -0.2718150 0.2718150), wk = 0.0021882 k( 316) = ( 0.2803092 -0.2803092 0.2803092), wk = 0.0021882 k( 317) = ( 0.2888034 -0.2888034 0.2888034), wk = 0.0021882 k( 318) = ( 0.2972976 -0.2972976 0.2972976), wk = 0.0021882 k( 319) = ( 0.3057918 -0.3057918 0.3057918), wk = 0.0021882 k( 320) = ( 0.3142860 -0.3142860 0.3142860), wk = 0.0021882 k( 321) = ( 0.3227803 -0.3227803 0.3227803), wk = 0.0021882 k( 322) = ( 0.3312745 -0.3312745 0.3312745), wk = 0.0021882 k( 323) = ( 0.3397687 -0.3397687 0.3397687), wk = 0.0021882 k( 324) = ( 0.3482629 -0.3482629 0.3482629), wk = 0.0021882 k( 325) = ( 0.3567571 -0.3567571 0.3567571), wk = 0.0021882 k( 326) = ( 0.3652513 -0.3652513 0.3652513), wk = 0.0021882 k( 327) = ( 0.3737456 -0.3737456 0.3737456), wk = 0.0021882 k( 328) = ( 0.3822398 -0.3822398 0.3822398), wk = 0.0021882 k( 329) = ( 0.3907340 -0.3907340 0.3907340), wk = 0.0021882 k( 330) = ( 0.3992282 -0.3992282 0.3992282), wk = 0.0021882 k( 331) = ( 0.4077224 -0.4077224 0.4077224), wk = 0.0021882 k( 332) = ( 0.4162167 -0.4162167 0.4162167), wk = 0.0021882 k( 333) = ( 0.4247109 -0.4247109 0.4247109), wk = 0.0021882 k( 334) = ( 0.4332051 -0.4332051 0.4332051), wk = 0.0021882 k( 335) = ( 0.4416993 -0.4416993 0.4416993), wk = 0.0021882 k( 336) = ( 0.4501935 -0.4501935 0.4501935), wk = 0.0021882 k( 337) = ( 0.4586877 -0.4586877 0.4586877), wk = 0.0021882 k( 338) = ( 0.4671820 -0.4671820 0.4671820), wk = 0.0021882 k( 339) = ( 0.4756762 -0.4756762 0.4756762), wk = 0.0021882 k( 340) = ( 0.4841704 -0.4841704 0.4841704), wk = 0.0021882 k( 341) = ( 0.4841704 -0.4841704 0.4841704), wk = 0.0021882 k( 342) = ( 0.4845661 -0.4720661 0.4720661), wk = 0.0021882 k( 343) = ( 0.4849619 -0.4599619 0.4599619), wk = 0.0021882 k( 344) = ( 0.4853576 -0.4478576 0.4478576), wk = 0.0021882 k( 345) = ( 0.4857534 -0.4357534 0.4357534), wk = 0.0021882 k( 346) = ( 0.4861491 -0.4236491 0.4236491), wk = 0.0021882 k( 347) = ( 0.4865448 -0.4115448 0.4115448), wk = 0.0021882 k( 348) = ( 0.4869406 -0.3994406 0.3994406), wk = 0.0021882 k( 349) = ( 0.4873363 -0.3873363 0.3873363), wk = 0.0021882 k( 350) = ( 0.4877321 -0.3752321 0.3752321), wk = 0.0021882 k( 351) = ( 0.4881278 -0.3631278 0.3631278), wk = 0.0021882 k( 352) = ( 0.4885235 -0.3510235 0.3510235), wk = 0.0021882 k( 353) = ( 0.4889193 -0.3389193 0.3389193), wk = 0.0021882 k( 354) = ( 0.4893150 -0.3268150 0.3268150), wk = 0.0021882 k( 355) = ( 0.4897108 -0.3147108 0.3147108), wk = 0.0021882 k( 356) = ( 0.4901065 -0.3026065 0.3026065), wk = 0.0021882 k( 357) = ( 0.4905022 -0.2905022 0.2905022), wk = 0.0021882 k( 358) = ( 0.4908980 -0.2783980 0.2783980), wk = 0.0021882 k( 359) = ( 0.4912937 -0.2662937 0.2662937), wk = 0.0021882 k( 360) = ( 0.4916895 -0.2541895 0.2541895), wk = 0.0021882 k( 361) = ( 0.4920852 -0.2420852 0.2420852), wk = 0.0021882 k( 362) = ( 0.4924809 -0.2299809 0.2299809), wk = 0.0021882 k( 363) = ( 0.4928767 -0.2178767 0.2178767), wk = 0.0021882 k( 364) = ( 0.4932724 -0.2057724 0.2057724), wk = 0.0021882 k( 365) = ( 0.4936682 -0.1936682 0.1936682), wk = 0.0021882 k( 366) = ( 0.4940639 -0.1815639 0.1815639), wk = 0.0021882 k( 367) = ( 0.4944596 -0.1694596 0.1694596), wk = 0.0021882 k( 368) = ( 0.4948554 -0.1573554 0.1573554), wk = 0.0021882 k( 369) = ( 0.4952511 -0.1452511 0.1452511), wk = 0.0021882 k( 370) = ( 0.4956469 -0.1331469 0.1331469), wk = 0.0021882 k( 371) = ( 0.4960426 -0.1210426 0.1210426), wk = 0.0021882 k( 372) = ( 0.4964383 -0.1089383 0.1089383), wk = 0.0021882 k( 373) = ( 0.4968341 -0.0968341 0.0968341), wk = 0.0021882 k( 374) = ( 0.4972298 -0.0847298 0.0847298), wk = 0.0021882 k( 375) = ( 0.4976256 -0.0726256 0.0726256), wk = 0.0021882 k( 376) = ( 0.4980213 -0.0605213 0.0605213), wk = 0.0021882 k( 377) = ( 0.4984170 -0.0484170 0.0484170), wk = 0.0021882 k( 378) = ( 0.4988128 -0.0363128 0.0363128), wk = 0.0021882 k( 379) = ( 0.4992085 -0.0242085 0.0242085), wk = 0.0021882 k( 380) = ( 0.4996043 -0.0121043 0.0121043), wk = 0.0021882 k( 381) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0021882 k( 382) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0021882 k( 383) = ( 0.4944444 0.0055556 0.0055556), wk = 0.0021882 k( 384) = ( 0.4888889 0.0111111 0.0111111), wk = 0.0021882 k( 385) = ( 0.4833333 0.0166667 0.0166667), wk = 0.0021882 k( 386) = ( 0.4777778 0.0222222 0.0222222), wk = 0.0021882 k( 387) = ( 0.4722222 0.0277778 0.0277778), wk = 0.0021882 k( 388) = ( 0.4666667 0.0333333 0.0333333), wk = 0.0021882 k( 389) = ( 0.4611111 0.0388889 0.0388889), wk = 0.0021882 k( 390) = ( 0.4555556 0.0444444 0.0444444), wk = 0.0021882 k( 391) = ( 0.4500000 0.0500000 0.0500000), wk = 0.0021882 k( 392) = ( 0.4444444 0.0555556 0.0555556), wk = 0.0021882 k( 393) = ( 0.4388889 0.0611111 0.0611111), wk = 0.0021882 k( 394) = ( 0.4333333 0.0666667 0.0666667), wk = 0.0021882 k( 395) = ( 0.4277778 0.0722222 0.0722222), wk = 0.0021882 k( 396) = ( 0.4222222 0.0777778 0.0777778), wk = 0.0021882 k( 397) = ( 0.4166667 0.0833333 0.0833333), wk = 0.0021882 k( 398) = ( 0.4111111 0.0888889 0.0888889), wk = 0.0021882 k( 399) = ( 0.4055556 0.0944444 0.0944444), wk = 0.0021882 k( 400) = ( 0.4000000 0.1000000 0.1000000), wk = 0.0021882 k( 401) = ( 0.3944444 0.1055556 0.1055556), wk = 0.0021882 k( 402) = ( 0.3888889 0.1111111 0.1111111), wk = 0.0021882 k( 403) = ( 0.3833333 0.1166667 0.1166667), wk = 0.0021882 k( 404) = ( 0.3777778 0.1222222 0.1222222), wk = 0.0021882 k( 405) = ( 0.3722222 0.1277778 0.1277778), wk = 0.0021882 k( 406) = ( 0.3666667 0.1333333 0.1333333), wk = 0.0021882 k( 407) = ( 0.3611111 0.1388889 0.1388889), wk = 0.0021882 k( 408) = ( 0.3555556 0.1444444 0.1444444), wk = 0.0021882 k( 409) = ( 0.3500000 0.1500000 0.1500000), wk = 0.0021882 k( 410) = ( 0.3444444 0.1555556 0.1555556), wk = 0.0021882 k( 411) = ( 0.3388889 0.1611111 0.1611111), wk = 0.0021882 k( 412) = ( 0.3333333 0.1666667 0.1666667), wk = 0.0021882 k( 413) = ( 0.3277778 0.1722222 0.1722222), wk = 0.0021882 k( 414) = ( 0.3222222 0.1777778 0.1777778), wk = 0.0021882 k( 415) = ( 0.3166667 0.1833333 0.1833333), wk = 0.0021882 k( 416) = ( 0.3111111 0.1888889 0.1888889), wk = 0.0021882 k( 417) = ( 0.3055556 0.1944444 0.1944444), wk = 0.0021882 k( 418) = ( 0.3000000 0.2000000 0.2000000), wk = 0.0021882 k( 419) = ( 0.2944444 0.2055556 0.2055556), wk = 0.0021882 k( 420) = ( 0.2888889 0.2111111 0.2111111), wk = 0.0021882 k( 421) = ( 0.2833333 0.2166667 0.2166667), wk = 0.0021882 k( 422) = ( 0.2777778 0.2222222 0.2222222), wk = 0.0021882 k( 423) = ( 0.2722222 0.2277778 0.2277778), wk = 0.0021882 k( 424) = ( 0.2666667 0.2333333 0.2333333), wk = 0.0021882 k( 425) = ( 0.2611111 0.2388889 0.2388889), wk = 0.0021882 k( 426) = ( 0.2555556 0.2444444 0.2444444), wk = 0.0021882 k( 427) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0021882 k( 428) = ( 0.3370703 -0.3370703 0.6312705), wk = 0.0021882 k( 429) = ( 0.3427280 -0.3427280 0.6256128), wk = 0.0021882 k( 430) = ( 0.3483857 -0.3483857 0.6199551), wk = 0.0021882 k( 431) = ( 0.3540434 -0.3540434 0.6142974), wk = 0.0021882 k( 432) = ( 0.3597011 -0.3597011 0.6086397), wk = 0.0021882 k( 433) = ( 0.3653588 -0.3653588 0.6029820), wk = 0.0021882 k( 434) = ( 0.3710165 -0.3710165 0.5973243), wk = 0.0021882 k( 435) = ( 0.3766742 -0.3766742 0.5916666), wk = 0.0021882 k( 436) = ( 0.3823319 -0.3823319 0.5860089), wk = 0.0021882 k( 437) = ( 0.3879896 -0.3879896 0.5803512), wk = 0.0021882 k( 438) = ( 0.3936473 -0.3936473 0.5746935), wk = 0.0021882 k( 439) = ( 0.3993050 -0.3993050 0.5690358), wk = 0.0021882 k( 440) = ( 0.4049626 -0.4049626 0.5633781), wk = 0.0021882 k( 441) = ( 0.4106204 -0.4106203 0.5577204), wk = 0.0021882 k( 442) = ( 0.4162781 -0.4162780 0.5520628), wk = 0.0021882 k( 443) = ( 0.4219357 -0.4219357 0.5464050), wk = 0.0021882 k( 444) = ( 0.4275934 -0.4275934 0.5407474), wk = 0.0021882 k( 445) = ( 0.4332511 -0.4332511 0.5350897), wk = 0.0021882 k( 446) = ( 0.4389088 -0.4389088 0.5294320), wk = 0.0021882 k( 447) = ( 0.4445665 -0.4445665 0.5237743), wk = 0.0021882 k( 448) = ( 0.4502242 -0.4502242 0.5181166), wk = 0.0021882 k( 449) = ( 0.4558819 -0.4558819 0.5124589), wk = 0.0021882 k( 450) = ( 0.4615396 -0.4615396 0.5068012), wk = 0.0021882 k( 451) = ( 0.4671973 -0.4671973 0.5011435), wk = 0.0021882 k( 452) = ( 0.4728550 -0.4728550 0.4954858), wk = 0.0021882 k( 453) = ( 0.4785127 -0.4785127 0.4898281), wk = 0.0021882 k( 454) = ( 0.4841704 -0.4841704 0.4841704), wk = 0.0021882 k( 455) = ( 0.5158296 0.4841704 -0.4841704), wk = 0.0021882 k( 456) = ( 0.5079148 0.4920852 -0.4920852), wk = 0.0021882 k( 457) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0021882 Dense grid: 35525 G-vectors FFT dimensions: ( 48, 48, 48) Smooth grid: 26717 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.08 Mb ( 146, 34) NL pseudopotentials 0.06 Mb ( 73, 56) Each V/rho on FFT grid 0.04 Mb ( 2304) Each G-vector array 0.01 Mb ( 740) G-vector shells 0.01 Mb ( 715) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.30 Mb ( 146, 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 39.6 secs Computing kpt #: 2 total cpu time spent up to now is 40.7 secs Computing kpt #: 3 total cpu time spent up to now is 41.7 secs Computing kpt #: 4 total cpu time spent up to now is 42.6 secs Computing kpt #: 5 total cpu time spent up to now is 43.5 secs Computing kpt #: 6 total cpu time spent up to now is 44.5 secs Computing kpt #: 7 total cpu time spent up to now is 45.6 secs Computing kpt #: 8 total cpu time spent up to now is 46.5 secs Computing kpt #: 9 total cpu time spent up to now is 47.5 secs Computing kpt #: 10 total cpu time spent up to now is 48.4 secs Computing kpt #: 11 total cpu time spent up to now is 49.4 secs Computing kpt #: 12 total cpu time spent up to now is 50.4 secs Computing kpt #: 13 total cpu time spent up to now is 51.6 secs Computing kpt #: 14 total cpu time spent up to now is 52.6 secs Computing kpt #: 15 total cpu time spent up to now is 53.5 secs Computing kpt #: 16 total cpu time spent up to 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total cpu time spent up to now is 71.8 secs Computing kpt #: 33 total cpu time spent up to now is 72.6 secs Computing kpt #: 34 total cpu time spent up to now is 73.4 secs Computing kpt #: 35 total cpu time spent up to now is 74.1 secs Computing kpt #: 36 total cpu time spent up to now is 75.2 secs Computing kpt #: 37 total cpu time spent up to now is 75.9 secs Computing kpt #: 38 total cpu time spent up to now is 76.6 secs Computing kpt #: 39 total cpu time spent up to now is 77.3 secs Computing kpt #: 40 total cpu time spent up to now is 78.0 secs Computing kpt #: 41 total cpu time spent up to now is 78.7 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 81.5 secs Computing kpt #: 46 total cpu time spent up to now is 82.2 secs Computing kpt #: 47 total cpu time spent up to now is 82.9 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Computing kpt #: 367 total cpu time spent up to now is 332.2 secs Computing kpt #: 368 total cpu time spent up to now is 332.8 secs Computing kpt #: 369 total cpu time spent up to now is 333.5 secs Computing kpt #: 370 total cpu time spent up to now is 334.4 secs Computing kpt #: 371 total cpu time spent up to now is 335.1 secs Computing kpt #: 372 total cpu time spent up to now is 335.7 secs Computing kpt #: 373 total cpu time spent up to now is 336.4 secs Computing kpt #: 374 total cpu time spent up to now is 337.1 secs Computing kpt #: 375 total cpu time spent up to now is 337.8 secs Computing kpt #: 376 total cpu time spent up to now is 338.4 secs Computing kpt #: 377 total cpu time spent up to now is 339.1 secs Computing kpt #: 378 total cpu time spent up to now is 339.8 secs Computing kpt #: 379 total cpu time spent up to now is 340.5 secs Computing kpt #: 380 total cpu time spent up to now is 341.1 secs Computing kpt #: 381 total cpu time spent up to now is 342.0 secs Computing kpt #: 382 total cpu time spent up to now is 342.6 secs Computing kpt #: 383 total cpu time spent up to now is 343.3 secs Computing kpt #: 384 total cpu time spent up to now is 344.0 secs Computing kpt #: 385 total cpu time spent up to now is 344.6 secs Computing kpt #: 386 total cpu time spent up to now is 345.5 secs Computing kpt #: 387 total cpu time spent up to now is 346.3 secs Computing kpt #: 388 total cpu time spent up to now is 346.9 secs Computing kpt #: 389 total cpu time spent up to now is 347.8 secs Computing kpt #: 390 total cpu time spent up to now is 348.5 secs Computing kpt #: 391 total cpu time spent up to now is 349.3 secs Computing kpt #: 392 total cpu time spent up to now is 350.1 secs Computing kpt #: 393 total cpu time spent up to now is 350.9 secs Computing kpt #: 394 total cpu time spent up to now is 351.6 secs Computing kpt #: 395 total cpu time spent up to now is 352.6 secs Computing kpt #: 396 total cpu time spent up to now is 353.4 secs Computing kpt #: 397 total cpu time spent up to now is 354.3 secs Computing kpt #: 398 total cpu time spent up to now is 355.1 secs Computing kpt #: 399 total cpu time spent up to now is 355.9 secs Computing kpt #: 400 total cpu time spent up to now is 356.7 secs Computing kpt #: 401 total cpu time spent up to now is 357.6 secs Computing kpt #: 402 total cpu time spent up to now is 358.5 secs Computing kpt #: 403 total cpu time spent up to now is 359.4 secs Computing kpt #: 404 total cpu time spent up to now is 360.4 secs Computing kpt #: 405 total cpu time spent up to now is 361.4 secs Computing kpt #: 406 total cpu time spent up to now is 362.4 secs Computing kpt #: 407 total cpu time spent up to now is 363.3 secs Computing kpt #: 408 total cpu time spent up to now is 364.3 secs Computing kpt #: 409 total cpu time spent up to now is 365.2 secs Computing kpt #: 410 total cpu time spent up to now is 366.0 secs Computing kpt #: 411 total cpu time spent up to now is 366.9 secs Computing kpt #: 412 total cpu time spent up to now is 367.7 secs Computing kpt #: 413 total cpu time spent up to now is 368.5 secs Computing kpt #: 414 total cpu time spent up to now is 369.3 secs Computing kpt #: 415 total cpu time spent up to now is 370.0 secs Computing kpt #: 416 total cpu time spent up to now is 370.7 secs Computing kpt #: 417 total cpu time spent up to now is 371.6 secs Computing kpt #: 418 total cpu time spent up to now is 372.3 secs Computing kpt #: 419 total cpu time spent up to now is 372.9 secs Computing kpt #: 420 total cpu time spent up to now is 373.5 secs Computing kpt #: 421 total cpu time spent up to now is 374.2 secs Computing kpt #: 422 total cpu time spent up to now is 374.9 secs Computing kpt #: 423 total cpu time spent up to now is 375.7 secs Computing kpt #: 424 total cpu time spent up to now is 376.4 secs Computing kpt #: 425 total cpu time spent up to now is 377.0 secs Computing kpt #: 426 total cpu time spent up to now is 377.6 secs Computing kpt #: 427 total cpu time spent up to now is 378.2 secs Computing kpt #: 428 total cpu time spent up to now is 379.1 secs Computing kpt #: 429 total cpu time spent up to now is 380.1 secs Computing kpt #: 430 total cpu time spent up to now is 380.9 secs Computing kpt #: 431 total cpu time spent up to now is 381.8 secs Computing kpt #: 432 total cpu time spent up to now is 382.8 secs Computing kpt #: 433 total cpu time spent up to now is 383.5 secs Computing kpt #: 434 total cpu time spent up to now is 384.5 secs Computing kpt #: 435 total cpu time spent up to now is 385.3 secs Computing kpt #: 436 total cpu time spent up to now is 386.1 secs Computing kpt #: 437 total cpu time spent up to now is 386.8 secs Computing kpt #: 438 total cpu time spent up to now is 387.6 secs Computing kpt #: 439 total cpu time spent up to now is 388.4 secs Computing kpt #: 440 total cpu time spent up to now is 389.1 secs Computing kpt #: 441 total cpu time spent up to now is 389.9 secs Computing kpt #: 442 total cpu time spent up to now is 390.6 secs Computing kpt #: 443 total cpu time spent up to now is 391.3 secs Computing kpt #: 444 total cpu time spent up to now is 391.9 secs Computing kpt #: 445 total cpu time spent up to now is 392.6 secs Computing kpt #: 446 total cpu time spent up to now is 393.2 secs Computing kpt #: 447 total cpu time spent up to now is 393.9 secs Computing kpt #: 448 total cpu time spent up to now is 394.6 secs Computing kpt #: 449 total cpu time spent up to now is 395.3 secs Computing kpt #: 450 total cpu time spent up to now is 395.9 secs Computing kpt #: 451 total cpu time spent up to now is 396.6 secs Computing kpt #: 452 total cpu time spent up to now is 397.2 secs Computing kpt #: 453 total cpu time spent up to now is 397.8 secs Computing kpt #: 454 total cpu time spent up to now is 398.5 secs Computing kpt #: 455 total cpu time spent up to now is 399.1 secs Computing kpt #: 456 total cpu time spent up to now is 399.7 secs Computing kpt #: 457 total cpu time spent up to now is 400.5 secs ethr = 3.85E-11, avg # of iterations = 27.6 total cpu time spent up to now is 400.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3345 PWs) bands (ev): -47.5307 -47.5307 -22.5779 -22.5779 -19.5822 -19.5822 -19.4148 -19.4148 -19.3869 -19.3869 -17.7633 -17.7633 -7.6356 -7.6356 -4.6996 -4.6996 -4.2927 -4.2927 -4.1164 -4.1164 -0.0404 -0.0404 0.7977 0.7977 1.6183 1.6183 5.1104 5.1104 8.1056 8.1056 12.8266 12.8266 14.1565 14.1565 k =-0.0056 0.0048 0.0112 ( 3335 PWs) bands (ev): -47.5307 -47.5307 -22.5778 -22.5778 -19.5822 -19.5820 -19.4148 -19.4146 -19.3870 -19.3867 -17.7633 -17.7633 -7.6355 -7.6355 -4.6995 -4.6995 -4.2943 -4.2926 -4.1171 -4.1153 -0.0409 -0.0408 0.7978 0.7979 1.6187 1.6188 5.1095 5.1097 8.1072 8.1074 12.8265 12.8266 14.1585 14.1585 k =-0.0112 0.0096 0.0223 ( 3331 PWs) bands (ev): -47.5307 -47.5307 -22.5777 -22.5777 -19.5823 -19.5819 -19.4148 -19.4145 -19.3872 -19.3865 -17.7635 -17.7635 -7.6354 -7.6354 -4.6991 -4.6991 -4.2976 -4.2943 -4.1175 -4.1140 -0.0423 -0.0422 0.7983 0.7985 1.6199 1.6201 5.1072 5.1074 8.1124 8.1127 12.8263 12.8264 14.1646 14.1646 k =-0.0168 0.0145 0.0335 ( 3339 PWs) bands (ev): -47.5307 -47.5307 -22.5774 -22.5774 -19.5824 -19.5818 -19.4149 -19.4144 -19.3875 -19.3865 -17.7637 -17.7637 -7.6352 -7.6352 -4.6983 -4.6983 -4.3025 -4.2977 -4.1177 -4.1126 -0.0447 -0.0446 0.7991 0.7993 1.6220 1.6223 5.1033 5.1037 8.1211 8.1216 12.8259 12.8260 14.1746 14.1747 k =-0.0224 0.0193 0.0446 ( 3343 PWs) bands (ev): -47.5307 -47.5307 -22.5770 -22.5770 -19.5824 -19.5817 -19.4149 -19.4143 -19.3877 -19.3864 -17.7640 -17.7640 -7.6350 -7.6350 -4.6973 -4.6973 -4.3090 -4.3028 -4.1175 -4.1110 -0.0480 -0.0478 0.8001 0.8005 1.6249 1.6253 5.0980 5.0985 8.1332 8.1339 12.8253 12.8255 14.1886 14.1887 k =-0.0280 0.0241 0.0558 ( 3339 PWs) bands (ev): -47.5306 -47.5306 -22.5765 -22.5765 -19.5825 -19.5815 -19.4149 -19.4141 -19.3880 -19.3864 -17.7644 -17.7644 -7.6347 -7.6347 -4.6960 -4.6960 -4.3169 -4.3095 -4.1171 -4.1093 -0.0522 -0.0519 0.8016 0.8020 1.6287 1.6292 5.0913 5.0919 8.1488 8.1496 12.8245 12.8247 14.2065 14.2065 k =-0.0336 0.0289 0.0669 ( 3339 PWs) bands (ev): -47.5306 -47.5306 -22.5759 -22.5759 -19.5825 -19.5814 -19.4148 -19.4140 -19.3883 -19.3863 -17.7648 -17.7648 -7.6343 -7.6343 -4.6944 -4.6944 -4.3261 -4.3178 -4.1163 -4.1075 -0.0573 -0.0570 0.8033 0.8038 1.6333 1.6339 5.0832 5.0839 8.1678 8.1687 12.8234 12.8237 14.2280 14.2281 k =-0.0392 0.0338 0.0781 ( 3335 PWs) bands (ev): -47.5306 -47.5306 -22.5752 -22.5752 -19.5825 -19.5812 -19.4148 -19.4138 -19.3886 -19.3863 -17.7654 -17.7654 -7.6339 -7.6339 -4.6926 -4.6926 -4.3367 -4.3277 -4.1153 -4.1056 -0.0632 -0.0628 0.8054 0.8059 1.6386 1.6393 5.0738 5.0746 8.1901 8.1912 12.8221 12.8225 14.2532 14.2533 k =-0.0448 0.0386 0.0892 ( 3343 PWs) bands (ev): -47.5306 -47.5306 -22.5744 -22.5744 -19.5826 -19.5811 -19.4147 -19.4136 -19.3890 -19.3864 -17.7660 -17.7660 -7.6335 -7.6334 -4.6905 -4.6904 -4.3486 -4.3390 -4.1141 -4.1037 -0.0699 -0.0694 0.8077 0.8083 1.6446 1.6454 5.0631 5.0641 8.2156 8.2168 12.8204 12.8209 14.2817 14.2819 k =-0.0504 0.0434 0.1004 ( 3345 PWs) bands (ev): -47.5305 -47.5305 -22.5736 -22.5735 -19.5826 -19.5809 -19.4146 -19.4134 -19.3893 -19.3865 -17.7667 -17.7667 -7.6330 -7.6329 -4.6881 -4.6880 -4.3617 -4.3516 -4.1127 -4.1018 -0.0773 -0.0768 0.8104 0.8111 1.6513 1.6522 5.0513 5.0523 8.2444 8.2457 12.8184 12.8189 14.3133 14.3134 k =-0.0560 0.0482 0.1115 ( 3343 PWs) bands (ev): -47.5305 -47.5305 -22.5726 -22.5725 -19.5826 -19.5807 -19.4145 -19.4132 -19.3897 -19.3865 -17.7675 -17.7675 -7.6324 -7.6324 -4.6854 -4.6854 -4.3758 -4.3654 -4.1111 -4.0998 -0.0855 -0.0849 0.8134 0.8142 1.6587 1.6596 5.0385 5.0396 8.2762 8.2777 12.8160 12.8165 14.3475 14.3476 k =-0.0616 0.0531 0.1227 ( 3343 PWs) bands (ev): -47.5305 -47.5305 -22.5715 -22.5714 -19.5826 -19.5806 -19.4144 -19.4129 -19.3900 -19.3866 -17.7683 -17.7683 -7.6319 -7.6318 -4.6825 -4.6825 -4.3910 -4.3804 -4.1094 -4.0978 -0.0943 -0.0937 0.8167 0.8175 1.6666 1.6676 5.0247 5.0259 8.3111 8.3127 12.8131 12.8137 14.3837 14.3839 k =-0.0672 0.0579 0.1338 ( 3343 PWs) bands (ev): -47.5304 -47.5304 -22.5703 -22.5702 -19.5826 -19.5804 -19.4143 -19.4127 -19.3904 -19.3867 -17.7693 -17.7693 -7.6313 -7.6313 -4.6793 -4.6793 -4.4072 -4.3964 -4.1076 -4.0958 -0.1038 -0.1031 0.8203 0.8212 1.6752 1.6762 5.0101 5.0113 8.3490 8.3506 12.8097 12.8103 14.4211 14.4213 k =-0.0728 0.0627 0.1450 ( 3343 PWs) bands (ev): -47.5304 -47.5304 -22.5690 -22.5689 -19.5826 -19.5802 -19.4141 -19.4125 -19.3908 -19.3869 -17.7702 -17.7702 -7.6308 -7.6307 -4.6759 -4.6759 -4.4242 -4.4134 -4.1057 -4.0939 -0.1138 -0.1131 0.8243 0.8252 1.6842 1.6853 4.9947 4.9960 8.3896 8.3914 12.8056 12.8063 14.4583 14.4585 k =-0.0784 0.0675 0.1561 ( 3339 PWs) bands (ev): -47.5304 -47.5304 -22.5677 -22.5676 -19.5826 -19.5800 -19.4139 -19.4122 -19.3912 -19.3870 -17.7713 -17.7713 -7.6303 -7.6302 -4.6723 -4.6723 -4.4420 -4.4312 -4.1037 -4.0919 -0.1242 -0.1234 0.8285 0.8295 1.6936 1.6948 4.9787 4.9801 8.4331 8.4349 12.8010 12.8017 14.4933 14.4936 k =-0.0840 0.0724 0.1673 ( 3341 PWs) bands (ev): -47.5303 -47.5303 -22.5663 -22.5662 -19.5826 -19.5798 -19.4138 -19.4121 -19.3916 -19.3871 -17.7724 -17.7724 -7.6297 -7.6297 -4.6685 -4.6684 -4.4604 -4.4498 -4.1017 -4.0899 -0.1351 -0.1343 0.8329 0.8340 1.7035 1.7047 4.9621 4.9636 8.4791 8.4810 12.7956 12.7963 14.5229 14.5232 k =-0.0896 0.0772 0.1784 ( 3333 PWs) bands (ev): -47.5303 -47.5303 -22.5648 -22.5647 -19.5826 -19.5796 -19.4136 -19.4118 -19.3919 -19.3872 -17.7736 -17.7736 -7.6293 -7.6292 -4.6644 -4.6644 -4.4795 -4.4690 -4.0996 -4.0879 -0.1463 -0.1455 0.8377 0.8388 1.7137 1.7149 4.9452 4.9467 8.5278 8.5297 12.7894 12.7902 14.5424 14.5428 k =-0.0952 0.0820 0.1896 ( 3333 PWs) bands (ev): -47.5302 -47.5302 -22.5632 -22.5631 -19.5826 -19.5795 -19.4134 -19.4117 -19.3922 -19.3874 -17.7748 -17.7748 -7.6288 -7.6288 -4.6602 -4.6601 -4.4990 -4.4887 -4.0975 -4.0859 -0.1579 -0.1570 0.8428 0.8440 1.7241 1.7254 4.9279 4.9295 8.5788 8.5808 12.7823 12.7832 14.5456 14.5462 k =-0.1008 0.0868 0.2007 ( 3329 PWs) bands (ev): -47.5302 -47.5302 -22.5616 -22.5615 -19.5826 -19.5793 -19.4132 -19.4115 -19.3925 -19.3875 -17.7761 -17.7761 -7.6285 -7.6284 -4.6557 -4.6557 -4.5190 -4.5089 -4.0954 -4.0840 -0.1697 -0.1687 0.8481 0.8493 1.7349 1.7361 4.9105 4.9121 8.6322 8.6341 12.7743 12.7753 14.5274 14.5281 k =-0.1064 0.0917 0.2119 ( 3333 PWs) bands (ev): -47.5301 -47.5301 -22.5599 -22.5598 -19.5827 -19.5792 -19.4131 -19.4114 -19.3928 -19.3877 -17.7775 -17.7775 -7.6282 -7.6282 -4.6511 -4.6511 -4.5392 -4.5294 -4.0933 -4.0821 -0.1816 -0.1806 0.8536 0.8549 1.7457 1.7471 4.8929 4.8946 8.6878 8.6897 12.7654 12.7664 14.4867 14.4875 k =-0.1120 0.0965 0.2230 ( 3341 PWs) bands (ev): -47.5301 -47.5301 -22.5582 -22.5581 -19.5828 -19.5791 -19.4130 -19.4113 -19.3932 -19.3879 -17.7789 -17.7789 -7.6281 -7.6280 -4.6464 -4.6463 -4.5597 -4.5501 -4.0913 -4.0802 -0.1936 -0.1926 0.8595 0.8608 1.7568 1.7581 4.8754 4.8771 8.7454 8.7474 12.7554 12.7565 14.4274 14.4283 k =-0.1176 0.1013 0.2342 ( 3339 PWs) bands (ev): -47.5300 -47.5300 -22.5564 -22.5563 -19.5829 -19.5790 -19.4129 -19.4113 -19.3934 -19.3880 -17.7803 -17.7803 -7.6280 -7.6280 -4.6415 -4.6414 -4.5803 -4.5710 -4.0893 -4.0784 -0.2056 -0.2045 0.8655 0.8669 1.7679 1.7692 4.8581 4.8598 8.8051 8.8071 12.7444 12.7455 14.3550 14.3560 k =-0.1232 0.1061 0.2453 ( 3345 PWs) bands (ev): -47.5300 -47.5300 -22.5546 -22.5545 -19.5830 -19.5789 -19.4128 -19.4113 -19.3936 -19.3882 -17.7818 -17.7818 -7.6281 -7.6280 -4.6365 -4.6363 -4.6008 -4.5918 -4.0873 -4.0766 -0.2176 -0.2165 0.8719 0.8733 1.7791 1.7804 4.8410 4.8427 8.8666 8.8686 12.7322 12.7334 14.2744 14.2757 k =-0.1288 0.1110 0.2565 ( 3345 PWs) bands (ev): -47.5299 -47.5299 -22.5528 -22.5526 -19.5831 -19.5789 -19.4127 -19.4113 -19.3938 -19.3883 -17.7833 -17.7833 -7.6283 -7.6283 -4.6319 -4.6312 -4.6208 -4.6126 -4.0855 -4.0750 -0.2294 -0.2282 0.8784 0.8799 1.7902 1.7915 4.8243 4.8260 8.9299 8.9318 12.7188 12.7201 14.1890 14.1904 k =-0.1344 0.1158 0.2676 ( 3353 PWs) bands (ev): -47.5299 -47.5299 -22.5509 -22.5508 -19.5832 -19.5788 -19.4126 -19.4114 -19.3939 -19.3885 -17.7848 -17.7848 -7.6287 -7.6286 -4.6426 -4.6333 -4.6259 -4.6253 -4.0837 -4.0734 -0.2410 -0.2398 0.8852 0.8867 1.8013 1.8026 4.8080 4.8097 8.9948 8.9967 12.7042 12.7056 14.1009 14.1026 k =-0.1400 0.1206 0.2788 ( 3359 PWs) bands (ev): -47.5298 -47.5298 -22.5490 -22.5489 -19.5833 -19.5788 -19.4126 -19.4116 -19.3940 -19.3886 -17.7864 -17.7864 -7.6292 -7.6292 -4.6624 -4.6536 -4.6205 -4.6202 -4.0820 -4.0719 -0.2524 -0.2511 0.8922 0.8938 1.8123 1.8136 4.7922 4.7940 9.0612 9.0631 12.6884 12.6899 14.0115 14.0134 k =-0.1456 0.1254 0.2900 ( 3359 PWs) bands (ev): -47.5298 -47.5298 -22.5471 -22.5470 -19.5835 -19.5788 -19.4126 -19.4117 -19.3941 -19.3887 -17.7880 -17.7880 -7.6300 -7.6299 -4.6821 -4.6736 -4.6150 -4.6148 -4.0803 -4.0705 -0.2634 -0.2621 0.8994 0.9010 1.8232 1.8244 4.7771 4.7789 9.1290 9.1308 12.6713 12.6729 13.9219 13.9240 k =-0.1512 0.1303 0.3011 ( 3351 PWs) bands (ev): -47.5297 -47.5297 -22.5452 -22.5450 -19.5836 -19.5788 -19.4126 -19.4119 -19.3941 -19.3888 -17.7896 -17.7895 -7.6309 -7.6309 -4.7013 -4.6931 -4.6094 -4.6093 -4.0788 -4.0692 -0.2739 -0.2726 0.9068 0.9085 1.8339 1.8351 4.7628 4.7646 9.1981 9.1999 12.6530 12.6547 13.8325 13.8348 k =-0.1568 0.1351 0.3123 ( 3351 PWs) bands (ev): -47.5297 -47.5297 -22.5433 -22.5431 -19.5838 -19.5788 -19.4126 -19.4121 -19.3942 -19.3889 -17.7912 -17.7912 -7.6320 -7.6320 -4.7201 -4.7121 -4.6038 -4.6037 -4.0774 -4.0680 -0.2841 -0.2827 0.9144 0.9161 1.8444 1.8455 4.7492 4.7510 9.2684 9.2701 12.6334 12.6352 13.7439 13.7464 k =-0.1624 0.1399 0.3234 ( 3347 PWs) bands (ev): -47.5296 -47.5296 -22.5414 -22.5412 -19.5839 -19.5788 -19.4126 -19.4123 -19.3942 -19.3889 -17.7928 -17.7928 -7.6334 -7.6334 -4.7383 -4.7305 -4.5982 -4.5980 -4.0762 -4.0670 -0.2937 -0.2922 0.9221 0.9239 1.8547 1.8558 4.7366 4.7384 9.3396 9.3412 12.6126 12.6145 13.6563 13.6590 k =-0.1680 0.1447 0.3346 ( 3355 PWs) bands (ev): -47.5296 -47.5296 -22.5394 -22.5393 -19.5841 -19.5789 -19.4127 -19.4126 -19.3942 -19.3891 -17.7944 -17.7944 -7.6350 -7.6350 -4.7558 -4.7483 -4.5925 -4.5923 -4.0752 -4.0661 -0.3027 -0.3013 0.9301 0.9319 1.8647 1.8658 4.7249 4.7267 9.4118 9.4133 12.5906 12.5926 13.5699 13.5729 k =-0.1736 0.1495 0.3457 ( 3355 PWs) bands (ev): -47.5295 -47.5295 -22.5375 -22.5374 -19.5843 -19.5790 -19.4129 -19.4128 -19.3942 -19.3891 -17.7960 -17.7960 -7.6369 -7.6369 -4.7725 -4.7652 -4.5868 -4.5866 -4.0743 -4.0654 -0.3111 -0.3096 0.9381 0.9400 1.8744 1.8754 4.7143 4.7161 9.4847 9.4861 12.5674 12.5695 13.4850 13.4881 k =-0.1793 0.1544 0.3569 ( 3351 PWs) bands (ev): -47.5295 -47.5295 -22.5357 -22.5355 -19.5845 -19.5791 -19.4132 -19.4129 -19.3943 -19.3892 -17.7976 -17.7976 -7.6391 -7.6390 -4.7885 -4.7814 -4.5810 -4.5809 -4.0735 -4.0649 -0.3188 -0.3172 0.9464 0.9483 1.8839 1.8848 4.7047 4.7066 9.5582 9.5595 12.5431 12.5453 13.4016 13.4049 k =-0.1849 0.1592 0.3680 ( 3355 PWs) bands (ev): -47.5295 -47.5295 -22.5338 -22.5336 -19.5848 -19.5792 -19.4135 -19.4131 -19.3943 -19.3894 -17.7992 -17.7992 -7.6415 -7.6414 -4.8035 -4.7966 -4.5753 -4.5751 -4.0730 -4.0645 -0.3257 -0.3241 0.9547 0.9567 1.8929 1.8938 4.6964 4.6982 9.6322 9.6334 12.5177 12.5199 13.3198 13.3232 k =-0.1905 0.1640 0.3792 ( 3355 PWs) bands (ev): -47.5294 -47.5294 -22.5320 -22.5318 -19.5850 -19.5794 -19.4138 -19.4133 -19.3944 -19.3894 -17.8008 -17.8008 -7.6442 -7.6440 -4.8177 -4.8110 -4.5696 -4.5694 -4.0727 -4.0644 -0.3319 -0.3302 0.9632 0.9652 1.9017 1.9025 4.6892 4.6911 9.7065 9.7077 12.4913 12.4936 13.2396 13.2432 k =-0.1961 0.1688 0.3903 ( 3355 PWs) bands (ev): -47.5294 -47.5294 -22.5302 -22.5300 -19.5853 -19.5795 -19.4142 -19.4135 -19.3944 -19.3895 -17.8024 -17.8024 -7.6471 -7.6470 -4.8308 -4.8243 -4.5640 -4.5638 -4.0725 -4.0644 -0.3372 -0.3355 0.9718 0.9738 1.9101 1.9108 4.6834 4.6852 9.7810 9.7820 12.4639 12.4664 13.1611 13.1648 k =-0.2017 0.1737 0.4015 ( 3349 PWs) bands (ev): -47.5293 -47.5293 -22.5284 -22.5282 -19.5855 -19.5797 -19.4145 -19.4137 -19.3944 -19.3896 -17.8039 -17.8039 -7.6504 -7.6502 -4.8429 -4.8365 -4.5583 -4.5581 -4.0726 -4.0646 -0.3417 -0.3399 0.9805 0.9825 1.9181 1.9188 4.6788 4.6807 9.8556 9.8565 12.4357 12.4382 13.0843 13.0882 k =-0.2073 0.1785 0.4126 ( 3357 PWs) bands (ev): -47.5293 -47.5293 -22.5267 -22.5265 -19.5858 -19.5799 -19.4149 -19.4141 -19.3946 -19.3898 -17.8055 -17.8055 -7.6540 -7.6538 -4.8539 -4.8477 -4.5528 -4.5526 -4.0729 -4.0651 -0.3452 -0.3434 0.9892 0.9913 1.9257 1.9263 4.6756 4.6774 9.9299 9.9307 12.4066 12.4092 13.0093 13.0133 k =-0.2129 0.1833 0.4238 ( 3345 PWs) bands (ev): -47.5293 -47.5293 -22.5251 -22.5248 -19.5860 -19.5801 -19.4152 -19.4143 -19.3946 -19.3898 -17.8070 -17.8070 -7.6578 -7.6576 -4.8637 -4.8576 -4.5473 -4.5470 -4.0734 -4.0658 -0.3478 -0.3460 0.9981 1.0002 1.9330 1.9335 4.6738 4.6756 10.0040 10.0046 12.3768 12.3795 12.9361 12.9403 k =-0.2185 0.1881 0.4349 ( 3339 PWs) bands (ev): -47.5292 -47.5292 -22.5234 -22.5232 -19.5863 -19.5803 -19.4156 -19.4146 -19.3948 -19.3900 -17.8084 -17.8084 -7.6620 -7.6617 -4.8723 -4.8665 -4.5418 -4.5415 -4.0741 -4.0667 -0.3494 -0.3475 1.0070 1.0091 1.9399 1.9403 4.6733 4.6752 10.0775 10.0779 12.3464 12.3491 12.8647 12.8690 k =-0.2241 0.1930 0.4461 ( 3341 PWs) bands (ev): -47.5292 -47.5292 -22.5219 -22.5216 -19.5866 -19.5806 -19.4160 -19.4150 -19.3949 -19.3901 -17.8098 -17.8098 -7.6664 -7.6662 -4.8798 -4.8741 -4.5365 -4.5362 -4.0751 -4.0678 -0.3501 -0.3482 1.0159 1.0181 1.9463 1.9466 4.6743 4.6761 10.1502 10.1505 12.3152 12.3179 12.7952 12.7996 k =-0.2297 0.1978 0.4572 ( 3341 PWs) bands (ev): -47.5292 -47.5292 -22.5204 -22.5201 -19.5869 -19.5808 -19.4163 -19.4154 -19.3952 -19.3903 -17.8112 -17.8112 -7.6712 -7.6709 -4.8860 -4.8804 -4.5312 -4.5309 -4.0763 -4.0692 -0.3498 -0.3478 1.0249 1.0271 1.9523 1.9526 4.6767 4.6786 10.2220 10.2222 12.2833 12.2861 12.7277 12.7322 k =-0.2353 0.2026 0.4684 ( 3339 PWs) bands (ev): -47.5292 -47.5292 -22.5189 -22.5187 -19.5872 -19.5811 -19.4167 -19.4158 -19.3954 -19.3905 -17.8126 -17.8126 -7.6763 -7.6760 -4.8910 -4.8855 -4.5260 -4.5257 -4.0778 -4.0708 -0.3485 -0.3464 1.0339 1.0362 1.9579 1.9581 4.6806 4.6824 10.2926 10.2926 12.2508 12.2535 12.6622 12.6668 k =-0.2409 0.2074 0.4795 ( 3343 PWs) bands (ev): -47.5292 -47.5292 -22.5176 -22.5173 -19.5875 -19.5815 -19.4171 -19.4163 -19.3957 -19.3907 -17.8139 -17.8139 -7.6817 -7.6813 -4.8946 -4.8893 -4.5210 -4.5206 -4.0795 -4.0727 -0.3461 -0.3440 1.0429 1.0452 1.9631 1.9632 4.6859 4.6878 10.3615 10.3617 12.2175 12.2202 12.5990 12.6036 k =-0.2465 0.2123 0.4907 ( 3347 PWs) bands (ev): -47.5291 -47.5291 -22.5162 -22.5160 -19.5879 -19.5818 -19.4175 -19.4168 -19.3960 -19.3909 -17.8151 -17.8151 -7.6874 -7.6870 -4.8970 -4.8919 -4.5160 -4.5157 -4.0815 -4.0748 -0.3427 -0.3406 1.0519 1.0542 1.9679 1.9680 4.6927 4.6945 10.4287 10.4291 12.1833 12.1859 12.5382 12.5429 k =-0.2521 0.2171 0.5018 ( 3347 PWs) bands (ev): -47.5291 -47.5291 -22.5150 -22.5147 -19.5882 -19.5822 -19.4179 -19.4173 -19.3963 -19.3911 -17.8164 -17.8163 -7.6933 -7.6929 -4.8981 -4.8931 -4.5112 -4.5108 -4.0837 -4.0772 -0.3383 -0.3361 1.0609 1.0632 1.9723 1.9723 4.7009 4.7027 10.4938 10.4944 12.1481 12.1505 12.4801 12.4847 k =-0.2577 0.2219 0.5130 ( 3347 PWs) bands (ev): -47.5291 -47.5291 -22.5138 -22.5136 -19.5886 -19.5826 -19.4183 -19.4179 -19.3966 -19.3913 -17.8175 -17.8175 -7.6996 -7.6992 -4.8979 -4.8930 -4.5064 -4.5061 -4.0861 -4.0797 -0.3328 -0.3306 1.0698 1.0722 1.9762 1.9763 4.7105 4.7124 10.5565 10.5574 12.1115 12.1138 12.4250 12.4295 k =-0.2633 0.2267 0.5241 ( 3347 PWs) bands (ev): -47.5291 -47.5291 -22.5127 -22.5124 -19.5889 -19.5829 -19.4188 -19.4184 -19.3969 -19.3916 -17.8186 -17.8186 -7.7061 -7.7057 -4.8964 -4.8916 -4.5019 -4.5015 -4.0888 -4.0825 -0.3263 -0.3241 1.0787 1.0811 1.9797 1.9799 4.7215 4.7234 10.6166 10.6176 12.0735 12.0755 12.3731 12.3774 k =-0.2689 0.2316 0.5353 ( 3347 PWs) bands (ev): -47.5291 -47.5291 -22.5117 -22.5114 -19.5893 -19.5834 -19.4192 -19.4190 -19.3973 -19.3918 -17.8197 -17.8197 -7.7129 -7.7124 -4.8936 -4.8890 -4.4974 -4.4970 -4.0917 -4.0856 -0.3188 -0.3166 1.0875 1.0899 1.9829 1.9831 4.7340 4.7358 10.6735 10.6748 12.0338 12.0354 12.3246 12.3288 k =-0.2745 0.2364 0.5464 ( 3351 PWs) bands (ev): -47.5291 -47.5291 -22.5107 -22.5105 -19.5897 -19.5838 -19.4197 -19.4196 -19.3977 -19.3920 -17.8207 -17.8207 -7.7199 -7.7194 -4.8896 -4.8850 -4.4931 -4.4927 -4.0948 -4.0889 -0.3103 -0.3080 1.0963 1.0987 1.9856 1.9859 4.7478 4.7496 10.7270 10.7286 11.9922 11.9934 12.2798 12.2837 k =-0.2801 0.2412 0.5576 ( 3351 PWs) bands (ev): -47.5291 -47.5291 -22.5098 -22.5096 -19.5901 -19.5843 -19.4204 -19.4201 -19.3980 -19.3923 -17.8216 -17.8216 -7.7272 -7.7266 -4.8843 -4.8798 -4.4889 -4.4885 -4.0982 -4.0923 -0.3009 -0.2985 1.1050 1.1074 1.9880 1.9884 4.7629 4.7647 10.7767 10.7785 11.9487 11.9494 12.2387 12.2423 k =-0.2857 0.2460 0.5688 ( 3359 PWs) bands (ev): -47.5292 -47.5292 -22.5090 -22.5088 -19.5905 -19.5848 -19.4211 -19.4206 -19.3984 -19.3925 -17.8225 -17.8225 -7.7346 -7.7341 -4.8777 -4.8734 -4.4849 -4.4845 -4.1017 -4.0960 -0.2905 -0.2881 1.1135 1.1160 1.9901 1.9906 4.7793 4.7811 10.8222 10.8242 11.9034 11.9036 12.2011 12.2043 k =-0.2913 0.2509 0.5799 ( 3367 PWs) bands (ev): -47.5292 -47.5292 -22.5083 -22.5080 -19.5910 -19.5853 -19.4219 -19.4212 -19.3988 -19.3928 -17.8234 -17.8234 -7.7423 -7.7418 -4.8700 -4.8658 -4.4810 -4.4806 -4.1055 -4.1000 -0.2792 -0.2768 1.1220 1.1245 1.9918 1.9924 4.7969 4.7987 10.8631 10.8654 11.8562 11.8564 12.1666 12.1695 k =-0.2969 0.2557 0.5911 ( 3359 PWs) bands (ev): -47.5292 -47.5292 -22.5076 -22.5074 -19.5914 -19.5858 -19.4226 -19.4217 -19.3991 -19.3929 -17.8242 -17.8241 -7.7502 -7.7496 -4.8611 -4.8569 -4.4772 -4.4768 -4.1095 -4.1040 -0.2669 -0.2645 1.1303 1.1329 1.9933 1.9938 4.8158 4.8175 10.8992 10.9017 11.8074 11.8081 12.1351 12.1376 k =-0.3025 0.2605 0.6022 ( 3359 PWs) bands (ev): -47.5292 -47.5292 -22.5070 -22.5068 -19.5918 -19.5864 -19.4234 -19.4222 -19.3994 -19.3931 -17.8249 -17.8249 -7.7582 -7.7576 -4.8510 -4.8470 -4.4736 -4.4732 -4.1136 -4.1083 -0.2538 -0.2514 1.1386 1.1411 1.9944 1.9950 4.8357 4.8375 10.9301 10.9328 11.7576 11.7587 12.1058 12.1081 k =-0.3081 0.2653 0.6134 ( 3367 PWs) bands (ev): -47.5292 -47.5292 -22.5065 -22.5062 -19.5923 -19.5870 -19.4242 -19.4228 -19.3997 -19.3933 -17.8256 -17.8256 -7.7664 -7.7658 -4.8399 -4.8360 -4.4702 -4.4697 -4.1179 -4.1127 -0.2400 -0.2375 1.1466 1.1492 1.9952 1.9959 4.8567 4.8585 10.9556 10.9586 11.7070 11.7084 12.0786 12.0806 k =-0.3137 0.2702 0.6245 ( 3363 PWs) bands (ev): -47.5293 -47.5293 -22.5060 -22.5058 -19.5928 -19.5876 -19.4250 -19.4234 -19.3999 -19.3934 -17.8262 -17.8262 -7.7747 -7.7740 -4.8278 -4.8239 -4.4668 -4.4663 -4.1224 -4.1173 -0.2254 -0.2228 1.1546 1.1571 1.9957 1.9964 4.8788 4.8805 10.9755 10.9787 11.6557 11.6574 12.0529 12.0547 k =-0.3193 0.2750 0.6357 ( 3355 PWs) bands (ev): -47.5293 -47.5293 -22.5057 -22.5054 -19.5932 -19.5882 -19.4258 -19.4240 -19.4000 -19.3935 -17.8268 -17.8267 -7.7830 -7.7824 -4.8146 -4.8108 -4.4636 -4.4631 -4.1270 -4.1220 -0.2100 -0.2074 1.1624 1.1649 1.9960 1.9967 4.9018 4.9034 10.9899 10.9932 11.6040 11.6059 12.0284 12.0300 k =-0.3249 0.2798 0.6468 ( 3355 PWs) bands (ev): -47.5293 -47.5293 -22.5053 -22.5050 -19.5937 -19.5888 -19.4267 -19.4247 -19.4002 -19.3936 -17.8273 -17.8273 -7.7915 -7.7909 -4.8006 -4.7969 -4.4606 -4.4601 -4.1317 -4.1268 -0.1940 -0.1914 1.1699 1.1725 1.9960 1.9968 4.9256 4.9273 10.9987 11.0022 11.5517 11.5538 12.0049 12.0062 k =-0.3305 0.2846 0.6580 ( 3355 PWs) bands (ev): -47.5293 -47.5293 -22.5051 -22.5048 -19.5943 -19.5895 -19.4275 -19.4254 -19.4003 -19.3937 -17.8278 -17.8277 -7.8000 -7.7994 -4.7857 -4.7820 -4.4576 -4.4572 -4.1366 -4.1318 -0.1773 -0.1748 1.1773 1.1799 1.9958 1.9966 4.9503 4.9519 11.0021 11.0056 11.4991 11.5013 11.9819 11.9831 k =-0.3361 0.2894 0.6691 ( 3351 PWs) bands (ev): -47.5294 -47.5294 -22.5048 -22.5046 -19.5948 -19.5902 -19.4284 -19.4261 -19.4004 -19.3938 -17.8282 -17.8282 -7.8086 -7.8079 -4.7700 -4.7664 -4.4549 -4.4544 -4.1415 -4.1369 -0.1602 -0.1576 1.1846 1.1871 1.9953 1.9962 4.9757 4.9772 11.0004 11.0039 11.4458 11.4481 11.9595 11.9605 k =-0.3417 0.2943 0.6803 ( 3347 PWs) bands (ev): -47.5294 -47.5294 -22.5047 -22.5044 -19.5954 -19.5909 -19.4292 -19.4269 -19.4003 -19.3938 -17.8285 -17.8285 -7.8171 -7.8165 -4.7535 -4.7500 -4.4522 -4.4517 -4.1465 -4.1420 -0.1425 -0.1399 1.1916 1.1942 1.9947 1.9956 5.0016 5.0032 10.9938 10.9973 11.3919 11.3942 11.9375 11.9383 k =-0.3473 0.2991 0.6914 ( 3347 PWs) bands (ev): -47.5294 -47.5294 -22.5046 -22.5043 -19.5959 -19.5916 -19.4301 -19.4276 -19.4003 -19.3938 -17.8289 -17.8289 -7.8257 -7.8250 -4.7365 -4.7331 -4.4497 -4.4492 -4.1516 -4.1472 -0.1244 -0.1218 1.1984 1.2010 1.9939 1.9948 5.0282 5.0297 10.9827 10.9862 11.3373 11.3395 11.9159 11.9165 k =-0.3529 0.3039 0.7026 ( 3351 PWs) bands (ev): -47.5295 -47.5295 -22.5045 -22.5043 -19.5966 -19.5924 -19.4310 -19.4284 -19.4003 -19.3939 -17.8292 -17.8292 -7.8342 -7.8336 -4.7189 -4.7155 -4.4473 -4.4468 -4.1568 -4.1524 -0.1060 -0.1034 1.2050 1.2075 1.9929 1.9938 5.0552 5.0566 10.9677 10.9710 11.2818 11.2839 11.8947 11.8952 k =-0.3529 0.3039 0.7026 ( 3351 PWs) bands (ev): -47.5295 -47.5295 -22.5045 -22.5043 -19.5966 -19.5924 -19.4310 -19.4284 -19.4003 -19.3939 -17.8292 -17.8292 -7.8342 -7.8336 -4.7189 -4.7155 -4.4473 -4.4468 -4.1568 -4.1524 -0.1060 -0.1034 1.2050 1.2075 1.9929 1.9938 5.0552 5.0566 10.9677 10.9710 11.2818 11.2839 11.8947 11.8952 k =-0.3450 0.2971 0.7095 ( 3346 PWs) bands (ev): -47.5295 -47.5295 -22.5046 -22.5043 -19.5965 -19.5924 -19.4310 -19.4284 -19.4003 -19.3939 -17.8292 -17.8292 -7.8337 -7.8331 -4.7188 -4.7155 -4.4478 -4.4473 -4.1564 -4.1521 -0.1065 -0.1039 1.2035 1.2062 1.9934 1.9946 5.0553 5.0568 10.9652 10.9685 11.2829 11.2850 11.8953 11.8959 k =-0.3371 0.2903 0.7164 ( 3348 PWs) bands (ev): -47.5295 -47.5295 -22.5046 -22.5043 -19.5966 -19.5924 -19.4310 -19.4284 -19.4003 -19.3938 -17.8292 -17.8291 -7.8323 -7.8317 -4.7187 -4.7154 -4.4494 -4.4487 -4.1555 -4.1511 -0.1080 -0.1054 1.1991 1.2020 1.9950 1.9967 5.0558 5.0572 10.9577 10.9609 11.2863 11.2884 11.8973 11.8979 k =-0.3371 0.2903 0.7164 ( 3348 PWs) bands (ev): -47.5295 -47.5295 -22.5046 -22.5043 -19.5966 -19.5924 -19.4310 -19.4284 -19.4003 -19.3938 -17.8292 -17.8291 -7.8323 -7.8317 -4.7187 -4.7154 -4.4494 -4.4487 -4.1555 -4.1511 -0.1080 -0.1054 1.1991 1.2020 1.9950 1.9967 5.0558 5.0572 10.9577 10.9609 11.2863 11.2884 11.8973 11.8979 k =-0.3269 0.2815 0.7164 ( 3342 PWs) bands (ev): -47.5294 -47.5294 -22.5046 -22.5044 -19.5963 -19.5920 -19.4306 -19.4280 -19.4003 -19.3938 -17.8290 -17.8289 -7.8256 -7.8249 -4.7284 -4.7251 -4.4529 -4.4520 -4.1513 -4.1468 -0.1206 -0.1179 1.1894 1.1925 1.9979 2.0002 5.0415 5.0429 10.9568 10.9599 11.3230 11.3251 11.9118 11.9126 k =-0.3166 0.2727 0.7164 ( 3342 PWs) bands (ev): -47.5294 -47.5294 -22.5047 -22.5045 -19.5960 -19.5916 -19.4302 -19.4276 -19.4003 -19.3937 -17.8287 -17.8285 -7.8181 -7.8175 -4.7379 -4.7346 -4.4570 -4.4560 -4.1467 -4.1422 -0.1339 -0.1312 1.1777 1.1812 2.0015 2.0043 5.0276 5.0291 10.9526 10.9556 11.3617 11.3639 11.9275 11.9284 k =-0.3064 0.2639 0.7164 ( 3345 PWs) bands (ev): -47.5294 -47.5294 -22.5048 -22.5045 -19.5958 -19.5914 -19.4299 -19.4274 -19.4003 -19.3937 -17.8283 -17.8281 -7.8100 -7.8094 -4.7473 -4.7440 -4.4617 -4.4606 -4.1418 -4.1372 -0.1479 -0.1452 1.1644 1.1681 2.0057 2.0089 5.0142 5.0157 10.9458 10.9488 11.4023 11.4045 11.9442 11.9453 k =-0.2962 0.2551 0.7164 ( 3347 PWs) bands (ev): -47.5294 -47.5294 -22.5049 -22.5046 -19.5956 -19.5912 -19.4297 -19.4272 -19.4003 -19.3937 -17.8278 -17.8276 -7.8013 -7.8006 -4.7565 -4.7532 -4.4669 -4.4656 -4.1366 -4.1320 -0.1626 -0.1598 1.1496 1.1536 2.0104 2.0140 5.0014 5.0029 10.9373 10.9402 11.4445 11.4468 11.9620 11.9633 k =-0.2860 0.2463 0.7164 ( 3348 PWs) bands (ev): -47.5294 -47.5294 -22.5050 -22.5047 -19.5955 -19.5910 -19.4295 -19.4270 -19.4002 -19.3936 -17.8272 -17.8270 -7.7919 -7.7913 -4.7656 -4.7624 -4.4725 -4.4711 -4.1312 -4.1265 -0.1779 -0.1751 1.1335 1.1378 2.0155 2.0194 4.9891 4.9906 10.9276 10.9304 11.4881 11.4904 11.9806 11.9821 k =-0.2758 0.2375 0.7164 ( 3342 PWs) bands (ev): -47.5294 -47.5294 -22.5051 -22.5048 -19.5954 -19.5909 -19.4294 -19.4269 -19.4001 -19.3935 -17.8265 -17.8262 -7.7821 -7.7815 -4.7746 -4.7714 -4.4783 -4.4768 -4.1256 -4.1209 -0.1937 -0.1909 1.1164 1.1209 2.0209 2.0251 4.9775 4.9790 10.9172 10.9198 11.5326 11.5350 12.0002 12.0018 k =-0.2656 0.2287 0.7164 ( 3348 PWs) bands (ev): -47.5293 -47.5293 -22.5051 -22.5049 -19.5954 -19.5910 -19.4294 -19.4270 -19.4000 -19.3935 -17.8256 -17.8254 -7.7717 -7.7711 -4.7835 -4.7804 -4.4844 -4.4828 -4.1199 -4.1152 -0.2101 -0.2072 1.0984 1.1031 2.0264 2.0308 4.9665 4.9680 10.9065 10.9090 11.5778 11.5802 12.0205 12.0222 k =-0.2554 0.2199 0.7164 ( 3350 PWs) bands (ev): -47.5293 -47.5293 -22.5052 -22.5050 -19.5955 -19.5911 -19.4295 -19.4271 -19.3999 -19.3935 -17.8246 -17.8244 -7.7610 -7.7604 -4.7925 -4.7894 -4.4905 -4.4888 -4.1141 -4.1094 -0.2268 -0.2239 1.0798 1.0845 2.0321 2.0366 4.9562 4.9577 10.8957 10.8980 11.6232 11.6257 12.0414 12.0433 k =-0.2451 0.2111 0.7164 ( 3346 PWs) bands (ev): -47.5293 -47.5293 -22.5053 -22.5050 -19.5955 -19.5913 -19.4297 -19.4273 -19.3997 -19.3934 -17.8235 -17.8232 -7.7498 -7.7492 -4.8014 -4.7985 -4.4966 -4.4948 -4.1084 -4.1036 -0.2439 -0.2409 1.0605 1.0654 2.0377 2.0424 4.9465 4.9480 10.8851 10.8873 11.6685 11.6711 12.0629 12.0649 k =-0.2349 0.2023 0.7164 ( 3345 PWs) bands (ev): -47.5293 -47.5293 -22.5053 -22.5051 -19.5957 -19.5915 -19.4299 -19.4276 -19.3995 -19.3933 -17.8222 -17.8220 -7.7383 -7.7378 -4.8104 -4.8076 -4.5025 -4.5006 -4.1026 -4.0979 -0.2612 -0.2582 1.0409 1.0458 2.0434 2.0481 4.9375 4.9390 10.8747 10.8768 11.7134 11.7161 12.0849 12.0869 k =-0.2247 0.1935 0.7164 ( 3343 PWs) bands (ev): -47.5293 -47.5293 -22.5053 -22.5051 -19.5959 -19.5919 -19.4303 -19.4280 -19.3994 -19.3933 -17.8208 -17.8205 -7.7266 -7.7261 -4.8195 -4.8168 -4.5082 -4.5062 -4.0970 -4.0923 -0.2786 -0.2756 1.0210 1.0260 2.0490 2.0537 4.9292 4.9306 10.8647 10.8667 11.7576 11.7604 12.1072 12.1093 k =-0.2145 0.1847 0.7164 ( 3341 PWs) bands (ev): -47.5293 -47.5293 -22.5053 -22.5051 -19.5961 -19.5923 -19.4307 -19.4285 -19.3992 -19.3933 -17.8193 -17.8190 -7.7146 -7.7142 -4.8288 -4.8262 -4.5136 -4.5115 -4.0914 -4.0868 -0.2961 -0.2931 1.0010 1.0059 2.0544 2.0591 4.9215 4.9229 10.8553 10.8571 11.8006 11.8036 12.1299 12.1320 k =-0.2043 0.1759 0.7164 ( 3341 PWs) bands (ev): -47.5293 -47.5293 -22.5053 -22.5051 -19.5965 -19.5928 -19.4312 -19.4290 -19.3990 -19.3933 -17.8177 -17.8174 -7.7026 -7.7021 -4.8382 -4.8357 -4.5185 -4.5164 -4.0860 -4.0814 -0.3134 -0.3104 0.9809 0.9858 2.0597 2.0644 4.9145 4.9158 10.8463 10.8481 11.8422 11.8455 12.1529 12.1550 k =-0.1941 0.1671 0.7164 ( 3341 PWs) bands (ev): -47.5292 -47.5292 -22.5053 -22.5051 -19.5969 -19.5934 -19.4318 -19.4297 -19.3988 -19.3933 -17.8159 -17.8156 -7.6905 -7.6900 -4.8477 -4.8454 -4.5230 -4.5208 -4.0809 -4.0763 -0.3306 -0.3276 0.9609 0.9657 2.0649 2.0694 4.9081 4.9094 10.8379 10.8396 11.8821 11.8856 12.1763 12.1783 k =-0.1839 0.1583 0.7164 ( 3340 PWs) bands (ev): -47.5292 -47.5292 -22.5052 -22.5050 -19.5973 -19.5940 -19.4324 -19.4303 -19.3985 -19.3934 -17.8141 -17.8138 -7.6784 -7.6780 -4.8574 -4.8552 -4.5269 -4.5247 -4.0759 -4.0715 -0.3475 -0.3446 0.9410 0.9458 2.0698 2.0743 4.9023 4.9036 10.8301 10.8317 11.9198 11.9236 12.2002 12.2021 k =-0.1736 0.1495 0.7164 ( 3340 PWs) bands (ev): -47.5292 -47.5292 -22.5051 -22.5050 -19.5978 -19.5947 -19.4331 -19.4311 -19.3983 -19.3934 -17.8122 -17.8119 -7.6663 -7.6660 -4.8672 -4.8651 -4.5303 -4.5280 -4.0713 -4.0669 -0.3640 -0.3611 0.9215 0.9262 2.0746 2.0789 4.8971 4.8984 10.8228 10.8243 11.9552 11.9592 12.2246 12.2265 k =-0.1634 0.1407 0.7164 ( 3342 PWs) bands (ev): -47.5292 -47.5292 -22.5051 -22.5049 -19.5983 -19.5955 -19.4338 -19.4319 -19.3981 -19.3935 -17.8102 -17.8099 -7.6545 -7.6541 -4.8771 -4.8751 -4.5331 -4.5308 -4.0669 -4.0626 -0.3800 -0.3772 0.9024 0.9069 2.0791 2.0832 4.8925 4.8937 10.8161 10.8175 11.9878 11.9920 12.2497 12.2516 k =-0.1532 0.1319 0.7164 ( 3342 PWs) bands (ev): -47.5292 -47.5292 -22.5050 -22.5048 -19.5989 -19.5963 -19.4346 -19.4327 -19.3979 -19.3936 -17.8082 -17.8079 -7.6428 -7.6425 -4.8870 -4.8852 -4.5353 -4.5330 -4.0628 -4.0587 -0.3954 -0.3926 0.8838 0.8882 2.0834 2.0873 4.8884 4.8895 10.8099 10.8112 12.0174 12.0218 12.2758 12.2776 k =-0.1430 0.1232 0.7164 ( 3346 PWs) bands (ev): -47.5292 -47.5292 -22.5049 -22.5047 -19.5995 -19.5971 -19.4353 -19.4336 -19.3977 -19.3937 -17.8062 -17.8059 -7.6315 -7.6312 -4.8968 -4.8952 -4.5369 -4.5346 -4.0591 -4.0551 -0.4102 -0.4075 0.8657 0.8699 2.0874 2.0911 4.8848 4.8859 10.8043 10.8055 12.0438 12.0483 12.3027 12.3046 k =-0.1328 0.1144 0.7164 ( 3349 PWs) bands (ev): -47.5292 -47.5292 -22.5047 -22.5046 -19.6001 -19.5979 -19.4361 -19.4344 -19.3976 -19.3938 -17.8042 -17.8040 -7.6205 -7.6203 -4.9066 -4.9050 -4.5380 -4.5358 -4.0556 -4.0519 -0.4241 -0.4216 0.8484 0.8524 2.0912 2.0947 4.8816 4.8827 10.7992 10.8003 12.0670 12.0716 12.3306 12.3325 k =-0.1226 0.1056 0.7164 ( 3347 PWs) bands (ev): -47.5292 -47.5292 -22.5046 -22.5045 -19.6007 -19.5987 -19.4368 -19.4353 -19.3973 -19.3939 -17.8023 -17.8020 -7.6100 -7.6098 -4.9161 -4.9147 -4.5386 -4.5365 -4.0525 -4.0489 -0.4373 -0.4348 0.8319 0.8357 2.0947 2.0980 4.8789 4.8798 10.7945 10.7955 12.0870 12.0916 12.3592 12.3611 k =-0.1124 0.0968 0.7164 ( 3345 PWs) bands (ev): -47.5292 -47.5292 -22.5045 -22.5043 -19.6013 -19.5995 -19.4375 -19.4361 -19.3971 -19.3940 -17.8004 -17.8001 -7.6000 -7.5998 -4.9253 -4.9240 -4.5388 -4.5367 -4.0498 -4.0464 -0.4496 -0.4473 0.8163 0.8198 2.0980 2.1010 4.8766 4.8775 10.7904 10.7913 12.1042 12.1086 12.3882 12.3901 k =-0.1021 0.0880 0.7164 ( 3343 PWs) bands (ev): -47.5292 -47.5292 -22.5043 -22.5042 -19.6019 -19.6003 -19.4382 -19.4369 -19.3970 -19.3941 -17.7985 -17.7983 -7.5906 -7.5904 -4.9341 -4.9330 -4.5386 -4.5367 -4.0473 -4.0442 -0.4609 -0.4588 0.8016 0.8049 2.1010 2.1038 4.8746 4.8754 10.7867 10.7875 12.1187 12.1229 12.4172 12.4190 k =-0.0919 0.0792 0.7164 ( 3347 PWs) bands (ev): -47.5292 -47.5292 -22.5042 -22.5041 -19.6025 -19.6011 -19.4389 -19.4377 -19.3968 -19.3942 -17.7968 -17.7966 -7.5819 -7.5817 -4.9425 -4.9414 -4.5382 -4.5363 -4.0452 -4.0423 -0.4713 -0.4693 0.7881 0.7911 2.1037 2.1063 4.8729 4.8737 10.7834 10.7841 12.1308 12.1347 12.4457 12.4474 k =-0.0817 0.0704 0.7164 ( 3347 PWs) bands (ev): -47.5292 -47.5292 -22.5041 -22.5040 -19.6031 -19.6018 -19.4395 -19.4384 -19.3966 -19.3943 -17.7952 -17.7950 -7.5739 -7.5737 -4.9502 -4.9493 -4.5375 -4.5358 -4.0433 -4.0407 -0.4806 -0.4788 0.7757 0.7784 2.1062 2.1085 4.8715 4.8722 10.7805 10.7811 12.1408 12.1444 12.4731 12.4747 k =-0.0715 0.0616 0.7164 ( 3348 PWs) bands (ev): -47.5292 -47.5292 -22.5039 -22.5039 -19.6036 -19.6025 -19.4400 -19.4391 -19.3964 -19.3945 -17.7937 -17.7935 -7.5666 -7.5665 -4.9573 -4.9565 -4.5367 -4.5351 -4.0418 -4.0394 -0.4889 -0.4873 0.7646 0.7670 2.1084 2.1104 4.8704 4.8710 10.7780 10.7786 12.1491 12.1523 12.4991 12.5005 k =-0.0613 0.0528 0.7164 ( 3348 PWs) bands (ev): -47.5292 -47.5292 -22.5038 -22.5038 -19.6041 -19.6031 -19.4405 -19.4397 -19.3963 -19.3946 -17.7924 -17.7922 -7.5603 -7.5601 -4.9636 -4.9630 -4.5358 -4.5344 -4.0404 -4.0384 -0.4961 -0.4947 0.7548 0.7569 2.1104 2.1121 4.8695 4.8700 10.7758 10.7763 12.1558 12.1586 12.5230 12.5242 k =-0.0511 0.0440 0.7164 ( 3347 PWs) bands (ev): -47.5292 -47.5292 -22.5037 -22.5037 -19.6044 -19.6037 -19.4409 -19.4402 -19.3961 -19.3947 -17.7912 -17.7911 -7.5548 -7.5547 -4.9691 -4.9685 -4.5349 -4.5337 -4.0393 -4.0376 -0.5022 -0.5010 0.7465 0.7482 2.1120 2.1135 4.8688 4.8692 10.7741 10.7745 12.1612 12.1635 12.5443 12.5453 k =-0.0409 0.0352 0.7164 ( 3349 PWs) bands (ev): -47.5292 -47.5292 -22.5036 -22.5036 -19.6048 -19.6042 -19.4412 -19.4407 -19.3960 -19.3948 -17.7903 -17.7902 -7.5502 -7.5501 -4.9736 -4.9732 -4.5340 -4.5330 -4.0384 -4.0370 -0.5071 -0.5062 0.7396 0.7410 2.1134 2.1146 4.8683 4.8686 10.7727 10.7730 12.1654 12.1673 12.5625 12.5634 k =-0.0306 0.0264 0.7164 ( 3351 PWs) bands (ev): -47.5292 -47.5292 -22.5036 -22.5035 -19.6050 -19.6046 -19.4415 -19.4411 -19.3958 -19.3950 -17.7895 -17.7894 -7.5466 -7.5465 -4.9772 -4.9769 -4.5332 -4.5325 -4.0377 -4.0366 -0.5110 -0.5103 0.7342 0.7352 2.1145 2.1154 4.8679 4.8681 10.7716 10.7718 12.1686 12.1700 12.5772 12.5779 k =-0.0204 0.0176 0.7164 ( 3354 PWs) bands (ev): -47.5292 -47.5292 -22.5035 -22.5035 -19.6052 -19.6049 -19.4417 -19.4414 -19.3957 -19.3951 -17.7890 -17.7889 -7.5440 -7.5440 -4.9798 -4.9796 -4.5326 -4.5321 -4.0372 -4.0364 -0.5137 -0.5132 0.7303 0.7311 2.1154 2.1160 4.8676 4.8678 10.7708 10.7710 12.1709 12.1719 12.5880 12.5885 k =-0.0102 0.0088 0.7164 ( 3352 PWs) bands (ev): -47.5292 -47.5292 -22.5035 -22.5035 -19.6052 -19.6051 -19.4417 -19.4416 -19.3955 -19.3953 -17.7886 -17.7886 -7.5425 -7.5424 -4.9814 -4.9813 -4.5322 -4.5320 -4.0368 -4.0364 -0.5153 -0.5150 0.7281 0.7285 2.1159 2.1162 4.8675 4.8676 10.7704 10.7705 12.1723 12.1728 12.5947 12.5949 k = 0.0000 0.0000 0.7164 ( 3354 PWs) bands (ev): -47.5292 -47.5292 -22.5035 -22.5035 -19.6052 -19.6052 -19.4417 -19.4417 -19.3954 -19.3954 -17.7885 -17.7885 -7.5419 -7.5419 -4.9819 -4.9819 -4.5320 -4.5320 -4.0365 -4.0365 -0.5157 -0.5157 0.7275 0.7275 2.1162 2.1162 4.8675 4.8675 10.7703 10.7703 12.1730 12.1730 12.5970 12.5970 k = 0.0000 0.0000 0.7164 ( 3354 PWs) bands (ev): -47.5292 -47.5292 -22.5035 -22.5035 -19.6052 -19.6052 -19.4417 -19.4417 -19.3954 -19.3954 -17.7885 -17.7885 -7.5419 -7.5419 -4.9819 -4.9819 -4.5320 -4.5320 -4.0365 -4.0365 -0.5157 -0.5157 0.7275 0.7275 2.1162 2.1162 4.8675 4.8675 10.7703 10.7703 12.1730 12.1730 12.5970 12.5970 k = 0.0086 0.0100 0.7164 ( 3354 PWs) bands (ev): -47.5292 -47.5292 -22.5035 -22.5035 -19.6055 -19.6049 -19.4420 -19.4413 -19.3954 -19.3953 -17.7885 -17.7885 -7.5420 -7.5420 -4.9821 -4.9820 -4.5319 -4.5317 -4.0367 -4.0366 -0.5155 -0.5154 0.7275 0.7275 2.1163 2.1163 4.8673 4.8676 10.7711 10.7713 12.1729 12.1732 12.5949 12.5954 k = 0.0172 0.0200 0.7164 ( 3352 PWs) bands (ev): -47.5292 -47.5292 -22.5035 -22.5035 -19.6057 -19.6046 -19.4424 -19.4410 -19.3954 -19.3952 -17.7886 -17.7884 -7.5422 -7.5422 -4.9827 -4.9824 -4.5316 -4.5310 -4.0372 -4.0370 -0.5147 -0.5145 0.7275 0.7276 2.1164 2.1164 4.8672 4.8677 10.7737 10.7741 12.1731 12.1735 12.5892 12.5902 k = 0.0259 0.0300 0.7164 ( 3348 PWs) bands (ev): -47.5291 -47.5291 -22.5036 -22.5036 -19.6059 -19.6043 -19.4427 -19.4406 -19.3953 -19.3950 -17.7886 -17.7884 -7.5426 -7.5425 -4.9836 -4.9831 -4.5309 -4.5301 -4.0379 -4.0376 -0.5134 -0.5130 0.7277 0.7278 2.1167 2.1167 4.8670 4.8677 10.7780 10.7787 12.1734 12.1740 12.5798 12.5813 k = 0.0345 0.0400 0.7164 ( 3348 PWs) bands (ev): -47.5291 -47.5291 -22.5038 -22.5038 -19.6061 -19.6040 -19.4430 -19.4402 -19.3952 -19.3947 -17.7887 -17.7884 -7.5430 -7.5430 -4.9849 -4.9841 -4.5299 -4.5288 -4.0389 -4.0385 -0.5115 -0.5109 0.7278 0.7280 2.1170 2.1170 4.8668 4.8678 10.7842 10.7851 12.1738 12.1747 12.5669 12.5689 k = 0.0431 0.0500 0.7164 ( 3342 PWs) bands (ev): -47.5291 -47.5291 -22.5039 -22.5039 -19.6062 -19.6036 -19.4432 -19.4398 -19.3950 -19.3945 -17.7888 -17.7884 -7.5436 -7.5436 -4.9864 -4.9854 -4.5285 -4.5272 -4.0402 -4.0397 -0.5090 -0.5083 0.7280 0.7282 2.1175 2.1175 4.8665 4.8678 10.7921 10.7932 12.1744 12.1755 12.5507 12.5532 k = 0.0517 0.0601 0.7164 ( 3344 PWs) bands (ev): -47.5291 -47.5291 -22.5041 -22.5041 -19.6063 -19.6032 -19.4435 -19.4394 -19.3948 -19.3942 -17.7889 -17.7885 -7.5444 -7.5443 -4.9881 -4.9870 -4.5269 -4.5254 -4.0417 -4.0411 -0.5061 -0.5053 0.7282 0.7285 2.1180 2.1181 4.8663 4.8678 10.8018 10.8031 12.1752 12.1765 12.5313 12.5342 k = 0.0603 0.0701 0.7164 ( 3342 PWs) bands (ev): -47.5291 -47.5291 -22.5043 -22.5043 -19.6064 -19.6028 -19.4438 -19.4390 -19.3946 -19.3938 -17.7889 -17.7885 -7.5452 -7.5451 -4.9901 -4.9889 -4.5251 -4.5233 -4.0435 -4.0428 -0.5027 -0.5018 0.7285 0.7288 2.1187 2.1187 4.8660 4.8677 10.8132 10.8147 12.1760 12.1775 12.5089 12.5123 k = 0.0690 0.0801 0.7164 ( 3344 PWs) bands (ev): -47.5291 -47.5291 -22.5046 -22.5046 -19.6065 -19.6025 -19.4440 -19.4386 -19.3943 -19.3934 -17.7890 -17.7885 -7.5461 -7.5460 -4.9923 -4.9909 -4.5230 -4.5211 -4.0454 -4.0447 -0.4989 -0.4979 0.7288 0.7292 2.1194 2.1194 4.8657 4.8676 10.8262 10.8279 12.1771 12.1787 12.4838 12.4875 k = 0.0776 0.0901 0.7164 ( 3348 PWs) bands (ev): -47.5291 -47.5291 -22.5048 -22.5048 -19.6066 -19.6021 -19.4443 -19.4382 -19.3940 -19.3930 -17.7892 -17.7886 -7.5472 -7.5470 -4.9947 -4.9932 -4.5208 -4.5186 -4.0476 -4.0467 -0.4948 -0.4936 0.7291 0.7295 2.1201 2.1202 4.8653 4.8675 10.8409 10.8428 12.1782 12.1801 12.4562 12.4602 k = 0.0862 0.1001 0.7164 ( 3352 PWs) bands (ev): -47.5291 -47.5291 -22.5051 -22.5051 -19.6067 -19.6017 -19.4445 -19.4378 -19.3937 -19.3926 -17.7893 -17.7886 -7.5483 -7.5481 -4.9973 -4.9956 -4.5184 -4.5160 -4.0499 -4.0489 -0.4903 -0.4890 0.7295 0.7299 2.1210 2.1210 4.8650 4.8674 10.8572 10.8593 12.1794 12.1815 12.4263 12.4307 k = 0.0948 0.1101 0.7164 ( 3352 PWs) bands (ev): -47.5291 -47.5291 -22.5054 -22.5054 -19.6068 -19.6013 -19.4447 -19.4374 -19.3933 -19.3921 -17.7894 -17.7887 -7.5494 -7.5493 -5.0000 -4.9981 -4.5158 -4.5133 -4.0523 -4.0512 -0.4856 -0.4842 0.7299 0.7304 2.1219 2.1219 4.8647 4.8673 10.8749 10.8773 12.1807 12.1830 12.3944 12.3990 k = 0.1034 0.1201 0.7164 ( 3348 PWs) bands (ev): -47.5291 -47.5291 -22.5058 -22.5058 -19.6068 -19.6008 -19.4449 -19.4370 -19.3929 -19.3916 -17.7895 -17.7888 -7.5507 -7.5505 -5.0027 -5.0007 -4.5132 -4.5104 -4.0547 -4.0536 -0.4807 -0.4791 0.7303 0.7308 2.1229 2.1229 4.8643 4.8672 10.8942 10.8967 12.1821 12.1845 12.3607 12.3656 k = 0.1121 0.1301 0.7164 ( 3348 PWs) bands (ev): -47.5291 -47.5291 -22.5061 -22.5061 -19.6068 -19.6004 -19.4451 -19.4366 -19.3925 -19.3911 -17.7896 -17.7888 -7.5519 -7.5517 -5.0055 -5.0034 -4.5105 -4.5076 -4.0573 -4.0561 -0.4756 -0.4740 0.7307 0.7313 2.1239 2.1239 4.8640 4.8670 10.9148 10.9175 12.1836 12.1862 12.3255 12.3307 k = 0.1207 0.1401 0.7164 ( 3350 PWs) bands (ev): -47.5291 -47.5291 -22.5064 -22.5064 -19.6068 -19.6000 -19.4453 -19.4362 -19.3921 -19.3906 -17.7897 -17.7889 -7.5532 -7.5530 -5.0083 -5.0061 -4.5078 -4.5047 -4.0599 -4.0586 -0.4705 -0.4687 0.7311 0.7318 2.1249 2.1249 4.8636 4.8669 10.9367 10.9396 12.1851 12.1878 12.2891 12.2945 k = 0.1293 0.1501 0.7164 ( 3346 PWs) bands (ev): -47.5291 -47.5291 -22.5068 -22.5068 -19.6068 -19.5996 -19.4455 -19.4358 -19.3917 -19.3900 -17.7898 -17.7890 -7.5545 -7.5542 -5.0110 -5.0088 -4.5051 -4.5019 -4.0624 -4.0611 -0.4653 -0.4635 0.7316 0.7322 2.1259 2.1260 4.8633 4.8667 10.9598 10.9629 12.1866 12.1895 12.2517 12.2573 k = 0.1379 0.1602 0.7164 ( 3342 PWs) bands (ev): -47.5291 -47.5291 -22.5071 -22.5071 -19.6067 -19.5992 -19.4456 -19.4355 -19.3912 -19.3895 -17.7900 -17.7890 -7.5557 -7.5555 -5.0138 -5.0114 -4.5024 -4.4991 -4.0650 -4.0636 -0.4602 -0.4583 0.7320 0.7327 2.1270 2.1270 4.8629 4.8665 10.9840 10.9872 12.1881 12.1912 12.2137 12.2194 k = 0.1466 0.1702 0.7164 ( 3340 PWs) bands (ev): -47.5291 -47.5291 -22.5074 -22.5074 -19.6067 -19.5989 -19.4457 -19.4351 -19.3908 -19.3890 -17.7901 -17.7891 -7.5570 -7.5567 -5.0164 -5.0140 -4.4998 -4.4964 -4.0675 -4.0661 -0.4552 -0.4532 0.7324 0.7332 2.1280 2.1281 4.8626 4.8664 11.0090 11.0124 12.1752 12.1811 12.1898 12.1929 k = 0.1552 0.1802 0.7164 ( 3334 PWs) bands (ev): -47.5291 -47.5291 -22.5077 -22.5077 -19.6067 -19.5985 -19.4459 -19.4348 -19.3903 -19.3884 -17.7902 -17.7892 -7.5582 -7.5579 -5.0189 -5.0165 -4.4973 -4.4937 -4.0699 -4.0684 -0.4503 -0.4482 0.7328 0.7336 2.1291 2.1291 4.8623 4.8662 11.0348 11.0383 12.1367 12.1427 12.1912 12.1945 k = 0.1638 0.1902 0.7164 ( 3328 PWs) bands (ev): -47.5291 -47.5291 -22.5080 -22.5080 -19.6066 -19.5981 -19.4460 -19.4345 -19.3899 -19.3879 -17.7903 -17.7892 -7.5594 -7.5591 -5.0213 -5.0188 -4.4949 -4.4913 -4.0722 -4.0707 -0.4456 -0.4435 0.7332 0.7341 2.1300 2.1301 4.8621 4.8661 11.0611 11.0647 12.0984 12.1046 12.1927 12.1961 k = 0.1724 0.2002 0.7164 ( 3338 PWs) bands (ev): -47.5291 -47.5291 -22.5083 -22.5083 -19.6066 -19.5978 -19.4461 -19.4342 -19.3896 -19.3876 -17.7904 -17.7893 -7.5605 -7.5602 -5.0236 -5.0210 -4.4927 -4.4890 -4.0744 -4.0728 -0.4413 -0.4390 0.7336 0.7344 2.1309 2.1309 4.8618 4.8659 11.0876 11.0913 12.0608 12.0670 12.1941 12.1976 k = 0.1810 0.2102 0.7164 ( 3336 PWs) bands (ev): -47.5291 -47.5291 -22.5086 -22.5086 -19.6066 -19.5975 -19.4462 -19.4340 -19.3892 -19.3871 -17.7905 -17.7894 -7.5615 -7.5612 -5.0257 -5.0231 -4.4907 -4.4868 -4.0764 -4.0748 -0.4372 -0.4349 0.7340 0.7348 2.1318 2.1318 4.8615 4.8658 11.1140 11.1179 12.0241 12.0305 12.1954 12.1990 k = 0.1897 0.2202 0.7164 ( 3336 PWs) bands (ev): -47.5291 -47.5291 -22.5089 -22.5089 -19.6065 -19.5973 -19.4463 -19.4338 -19.3889 -19.3868 -17.7905 -17.7894 -7.5624 -7.5621 -5.0275 -5.0249 -4.4888 -4.4849 -4.0783 -4.0766 -0.4335 -0.4312 0.7343 0.7351 2.1326 2.1326 4.8613 4.8656 11.1400 11.1439 11.9890 11.9954 12.1966 12.2003 k = 0.1983 0.2302 0.7164 ( 3336 PWs) bands (ev): -47.5291 -47.5291 -22.5091 -22.5091 -19.6065 -19.5971 -19.4463 -19.4336 -19.3886 -19.3864 -17.7906 -17.7895 -7.5633 -7.5630 -5.0292 -5.0265 -4.4872 -4.4832 -4.0799 -4.0782 -0.4302 -0.4279 0.7345 0.7354 2.1333 2.1333 4.8611 4.8655 11.1649 11.1689 11.9560 11.9625 12.1977 12.2015 k = 0.2069 0.2402 0.7164 ( 3332 PWs) bands (ev): -47.5291 -47.5291 -22.5093 -22.5093 -19.6064 -19.5968 -19.4464 -19.4334 -19.3884 -19.3861 -17.7907 -17.7895 -7.5640 -7.5637 -5.0306 -5.0279 -4.4858 -4.4818 -4.0813 -4.0796 -0.4274 -0.4250 0.7348 0.7357 2.1339 2.1340 4.8609 4.8654 11.1882 11.1923 11.9258 11.9323 12.1987 12.2025 k = 0.2155 0.2502 0.7164 ( 3332 PWs) bands (ev): -47.5291 -47.5291 -22.5094 -22.5094 -19.6064 -19.5967 -19.4464 -19.4333 -19.3882 -19.3859 -17.7907 -17.7895 -7.5646 -7.5643 -5.0318 -5.0291 -4.4846 -4.4806 -4.0825 -4.0807 -0.4250 -0.4225 0.7350 0.7359 2.1345 2.1345 4.8608 4.8654 11.2091 11.2132 11.8991 11.9057 12.1995 12.2033 k = 0.2241 0.2603 0.7164 ( 3332 PWs) bands (ev): -47.5291 -47.5291 -22.5095 -22.5095 -19.6064 -19.5965 -19.4465 -19.4332 -19.3880 -19.3857 -17.7908 -17.7896 -7.5651 -7.5647 -5.0328 -5.0300 -4.4837 -4.4796 -4.0834 -4.0816 -0.4231 -0.4207 0.7351 0.7361 2.1349 2.1349 4.8607 4.8653 11.2268 11.2310 11.8769 11.8835 12.2001 12.2040 k = 0.2328 0.2703 0.7164 ( 3336 PWs) bands (ev): -47.5291 -47.5291 -22.5096 -22.5096 -19.6064 -19.5965 -19.4465 -19.4331 -19.3879 -19.3856 -17.7908 -17.7896 -7.5654 -7.5651 -5.0334 -5.0307 -4.4830 -4.4789 -4.0841 -4.0823 -0.4218 -0.4193 0.7353 0.7362 2.1352 2.1352 4.8606 4.8652 11.2404 11.2445 11.8601 11.8668 12.2006 12.2045 k = 0.2414 0.2803 0.7164 ( 3328 PWs) bands (ev): -47.5291 -47.5291 -22.5097 -22.5097 -19.6064 -19.5964 -19.4465 -19.4330 -19.3878 -19.3854 -17.7908 -17.7896 -7.5656 -7.5653 -5.0338 -5.0311 -4.4826 -4.4785 -4.0845 -4.0827 -0.4209 -0.4184 0.7353 0.7363 2.1354 2.1354 4.8605 4.8652 11.2489 11.2531 11.8496 11.8563 12.2008 12.2048 k = 0.2500 0.2903 0.7164 ( 3324 PWs) bands (ev): -47.5291 -47.5291 -22.5097 -22.5097 -19.6063 -19.5963 -19.4465 -19.4330 -19.3877 -19.3854 -17.7908 -17.7896 -7.5657 -7.5654 -5.0340 -5.0312 -4.4825 -4.4783 -4.0846 -4.0828 -0.4206 -0.4182 0.7354 0.7363 2.1355 2.1355 4.8605 4.8652 11.2518 11.2560 11.8461 11.8527 12.2009 12.2049 k = 0.2500 0.2903 0.7164 ( 3324 PWs) bands (ev): -47.5291 -47.5291 -22.5097 -22.5097 -19.6063 -19.5963 -19.4465 -19.4330 -19.3877 -19.3854 -17.7908 -17.7896 -7.5657 -7.5654 -5.0340 -5.0312 -4.4825 -4.4783 -4.0846 -4.0828 -0.4206 -0.4182 0.7354 0.7363 2.1355 2.1355 4.8605 4.8652 11.2518 11.2560 11.8461 11.8527 12.2009 12.2049 k = 0.2417 0.2975 0.7091 ( 3328 PWs) bands (ev): -47.5291 -47.5291 -22.5097 -22.5097 -19.6063 -19.5963 -19.4465 -19.4330 -19.3877 -19.3854 -17.7909 -17.7897 -7.5661 -7.5658 -5.0334 -5.0306 -4.4830 -4.4789 -4.0844 -4.0826 -0.4206 -0.4181 0.7364 0.7374 2.1352 2.1353 4.8603 4.8650 11.2512 11.2553 11.8321 11.8383 12.2164 12.2199 k = 0.2333 0.3046 0.7018 ( 3328 PWs) bands (ev): -47.5291 -47.5291 -22.5098 -22.5098 -19.6061 -19.5961 -19.4463 -19.4328 -19.3877 -19.3854 -17.7911 -17.7899 -7.5675 -7.5671 -5.0316 -5.0288 -4.4846 -4.4804 -4.0840 -4.0821 -0.4203 -0.4178 0.7396 0.7405 2.1346 2.1347 4.8597 4.8644 11.2492 11.2534 11.7957 11.8010 12.2571 12.2596 k = 0.2250 0.3118 0.6946 ( 3328 PWs) bands (ev): -47.5291 -47.5291 -22.5100 -22.5100 -19.6057 -19.5959 -19.4460 -19.4326 -19.3877 -19.3853 -17.7915 -17.7903 -7.5697 -7.5693 -5.0286 -5.0258 -4.4871 -4.4829 -4.0832 -4.0812 -0.4199 -0.4174 0.7448 0.7457 2.1336 2.1338 4.8588 4.8634 11.2460 11.2501 11.7464 11.7509 12.3126 12.3142 k = 0.2167 0.3190 0.6873 ( 3332 PWs) bands (ev): -47.5291 -47.5291 -22.5102 -22.5102 -19.6053 -19.5955 -19.4455 -19.4322 -19.3877 -19.3853 -17.7920 -17.7908 -7.5727 -7.5724 -5.0245 -5.0217 -4.4905 -4.4863 -4.0822 -4.0801 -0.4192 -0.4169 0.7520 0.7529 2.1322 2.1324 4.8574 4.8620 11.2415 11.2456 11.6908 11.6947 12.3761 12.3769 k = 0.2083 0.3262 0.6800 ( 3334 PWs) bands (ev): -47.5291 -47.5291 -22.5105 -22.5105 -19.6047 -19.5951 -19.4450 -19.4318 -19.3876 -19.3853 -17.7926 -17.7914 -7.5765 -7.5762 -5.0194 -5.0166 -4.4948 -4.4904 -4.0811 -4.0788 -0.4184 -0.4161 0.7611 0.7620 2.1304 2.1307 4.8557 4.8602 11.2358 11.2398 11.6325 11.6359 12.4438 12.4441 k = 0.2000 0.3333 0.6727 ( 3334 PWs) bands (ev): -47.5291 -47.5291 -22.5108 -22.5108 -19.6040 -19.5945 -19.4443 -19.4313 -19.3876 -19.3852 -17.7934 -17.7922 -7.5811 -7.5808 -5.0133 -5.0105 -4.4996 -4.4952 -4.0799 -4.0775 -0.4173 -0.4151 0.7720 0.7729 2.1283 2.1286 4.8536 4.8581 11.2289 11.2327 11.5734 11.5765 12.5131 12.5138 k = 0.1917 0.3405 0.6654 ( 3336 PWs) bands (ev): -47.5291 -47.5291 -22.5112 -22.5112 -19.6032 -19.5939 -19.4435 -19.4307 -19.3875 -19.3852 -17.7943 -17.7931 -7.5863 -7.5860 -5.0064 -5.0035 -4.5050 -4.5005 -4.0788 -4.0761 -0.4161 -0.4139 0.7845 0.7855 2.1259 2.1262 4.8512 4.8556 11.2208 11.2245 11.5146 11.5174 12.5830 12.5842 k = 0.1833 0.3477 0.6581 ( 3336 PWs) bands (ev): -47.5291 -47.5291 -22.5117 -22.5117 -19.6023 -19.5932 -19.4425 -19.4300 -19.3874 -19.3851 -17.7952 -17.7941 -7.5922 -7.5919 -4.9986 -4.9957 -4.5107 -4.5061 -4.0777 -4.0749 -0.4146 -0.4125 0.7987 0.7996 2.1232 2.1236 4.8484 4.8528 11.2115 11.2151 11.4567 11.4594 12.6523 12.6541 k = 0.1750 0.3549 0.6508 ( 3344 PWs) bands (ev): -47.5291 -47.5291 -22.5122 -22.5122 -19.6014 -19.5924 -19.4416 -19.4293 -19.3874 -19.3850 -17.7963 -17.7952 -7.5986 -7.5984 -4.9902 -4.9874 -4.5165 -4.5119 -4.0768 -4.0739 -0.4129 -0.4109 0.8141 0.8151 2.1201 2.1206 4.8454 4.8496 11.2011 11.2045 11.4002 11.4028 12.7200 12.7224 k = 0.1667 0.3621 0.6435 ( 3344 PWs) bands (ev): -47.5291 -47.5291 -22.5127 -22.5127 -19.6003 -19.5916 -19.4404 -19.4285 -19.3872 -19.3849 -17.7975 -17.7965 -7.6055 -7.6053 -4.9814 -4.9785 -4.5223 -4.5176 -4.0762 -4.0732 -0.4109 -0.4090 0.8308 0.8318 2.1169 2.1174 4.8421 4.8462 11.1896 11.1927 11.3456 11.3481 12.7850 12.7880 k = 0.1583 0.3692 0.6362 ( 3348 PWs) bands (ev): -47.5291 -47.5291 -22.5132 -22.5132 -19.5992 -19.5908 -19.4393 -19.4276 -19.3871 -19.3848 -17.7988 -17.7977 -7.6128 -7.6125 -4.9722 -4.9693 -4.5279 -4.5232 -4.0760 -4.0729 -0.4087 -0.4070 0.8485 0.8495 2.1134 2.1140 4.8385 4.8426 11.1767 11.1795 11.2932 11.2958 12.8461 12.8497 k = 0.1500 0.3764 0.6289 ( 3346 PWs) bands (ev): -47.5291 -47.5291 -22.5138 -22.5138 -19.5980 -19.5899 -19.4380 -19.4267 -19.3870 -19.3847 -17.8001 -17.7991 -7.6204 -7.6201 -4.9628 -4.9599 -4.5332 -4.5283 -4.0761 -4.0729 -0.4063 -0.4047 0.8670 0.8680 2.1098 2.1104 4.8347 4.8387 11.1619 11.1641 11.2439 11.2468 12.9023 12.9064 k = 0.1417 0.3836 0.6217 ( 3346 PWs) bands (ev): -47.5291 -47.5291 -22.5144 -22.5144 -19.5969 -19.5890 -19.4366 -19.4258 -19.3868 -19.3846 -17.8014 -17.8005 -7.6282 -7.6279 -4.9535 -4.9505 -4.5378 -4.5329 -4.0767 -4.0735 -0.4037 -0.4021 0.8861 0.8871 2.1061 2.1067 4.8308 4.8346 11.1432 11.1447 11.2000 11.2034 12.9523 12.9569 k = 0.1333 0.3908 0.6144 ( 3346 PWs) bands (ev): -47.5291 -47.5291 -22.5150 -22.5150 -19.5956 -19.5882 -19.4352 -19.4248 -19.3866 -19.3844 -17.8028 -17.8019 -7.6361 -7.6358 -4.9442 -4.9413 -4.5418 -4.5369 -4.0778 -4.0745 -0.4009 -0.3995 0.9056 0.9067 2.1023 2.1029 4.8267 4.8304 11.1161 11.1173 11.1659 11.1700 12.9954 13.0003 k = 0.1250 0.3979 0.6071 ( 3348 PWs) bands (ev): -47.5291 -47.5291 -22.5156 -22.5156 -19.5944 -19.5873 -19.4338 -19.4238 -19.3865 -19.3843 -17.8043 -17.8034 -7.6440 -7.6438 -4.9354 -4.9325 -4.5450 -4.5401 -4.0794 -4.0761 -0.3980 -0.3966 0.9254 0.9264 2.0984 2.0990 4.8226 4.8261 11.0801 11.0813 11.1429 11.1470 13.0310 13.0361 k = 0.1167 0.4051 0.5998 ( 3348 PWs) bands (ev): -47.5291 -47.5291 -22.5163 -22.5162 -19.5932 -19.5865 -19.4324 -19.4229 -19.3862 -19.3842 -17.8057 -17.8048 -7.6519 -7.6517 -4.9270 -4.9241 -4.5473 -4.5424 -4.0815 -4.0781 -0.3949 -0.3936 0.9451 0.9461 2.0946 2.0952 4.8184 4.8218 11.0408 11.0420 11.1255 11.1292 13.0589 13.0641 k = 0.1083 0.4123 0.5925 ( 3344 PWs) bands (ev): -47.5291 -47.5291 -22.5169 -22.5169 -19.5920 -19.5857 -19.4309 -19.4219 -19.3860 -19.3840 -17.8071 -17.8063 -7.6597 -7.6594 -4.9191 -4.9164 -4.5485 -4.5436 -4.0840 -4.0807 -0.3917 -0.3906 0.9646 0.9656 2.0907 2.0913 4.8142 4.8174 11.0019 11.0030 11.1102 11.1136 13.0797 13.0847 k = 0.1000 0.4195 0.5852 ( 3346 PWs) bands (ev): -47.5291 -47.5291 -22.5175 -22.5174 -19.5908 -19.5849 -19.4294 -19.4210 -19.3858 -19.3839 -17.8085 -17.8077 -7.6672 -7.6670 -4.9120 -4.9094 -4.5487 -4.5440 -4.0869 -4.0837 -0.3885 -0.3875 0.9837 0.9847 2.0870 2.0876 4.8101 4.8131 10.9646 10.9657 11.0960 11.0990 13.0940 13.0988 k = 0.0917 0.4266 0.5779 ( 3346 PWs) bands (ev): -47.5291 -47.5291 -22.5180 -22.5180 -19.5897 -19.5842 -19.4280 -19.4202 -19.3855 -19.3837 -17.8098 -17.8091 -7.6744 -7.6742 -4.9057 -4.9032 -4.5479 -4.5433 -4.0902 -4.0871 -0.3853 -0.3844 1.0021 1.0031 2.0833 2.0839 4.8060 4.8089 10.9295 10.9306 11.0825 11.0853 13.1028 13.1072 k = 0.0833 0.4338 0.5706 ( 3346 PWs) bands (ev): -47.5291 -47.5291 -22.5186 -22.5186 -19.5886 -19.5836 -19.4266 -19.4194 -19.3853 -19.3836 -17.8111 -17.8104 -7.6813 -7.6811 -4.9003 -4.8979 -4.5461 -4.5417 -4.0938 -4.0908 -0.3822 -0.3814 1.0198 1.0207 2.0799 2.0804 4.8022 4.8048 10.8969 10.8978 11.0698 11.0723 13.1071 13.1112 k = 0.0750 0.4410 0.5633 ( 3348 PWs) bands (ev): -47.5291 -47.5291 -22.5191 -22.5191 -19.5875 -19.5830 -19.4252 -19.4187 -19.3850 -19.3835 -17.8123 -17.8117 -7.6877 -7.6876 -4.8956 -4.8934 -4.5436 -4.5394 -4.0977 -4.0948 -0.3792 -0.3784 1.0364 1.0372 2.0766 2.0771 4.7985 4.8009 10.8668 10.8677 11.0579 11.0601 13.1081 13.1118 k = 0.0667 0.4482 0.5560 ( 3348 PWs) bands (ev): -47.5291 -47.5291 -22.5196 -22.5196 -19.5866 -19.5825 -19.4239 -19.4181 -19.3848 -19.3833 -17.8134 -17.8129 -7.6936 -7.6935 -4.8917 -4.8897 -4.5403 -4.5365 -4.1016 -4.0989 -0.3763 -0.3756 1.0518 1.0526 2.0736 2.0741 4.7951 4.7972 10.8396 10.8404 11.0468 11.0488 13.1066 13.1099 k = 0.0583 0.4554 0.5488 ( 3350 PWs) bands (ev): -47.5291 -47.5291 -22.5200 -22.5200 -19.5857 -19.5821 -19.4227 -19.4175 -19.3845 -19.3832 -17.8144 -17.8139 -7.6990 -7.6989 -4.8886 -4.8868 -4.5366 -4.5331 -4.1055 -4.1030 -0.3736 -0.3731 1.0658 1.0665 2.0708 2.0713 4.7919 4.7938 10.8153 10.8160 11.0368 11.0386 13.1036 13.1064 k = 0.0500 0.4625 0.5415 ( 3344 PWs) bands (ev): -47.5291 -47.5291 -22.5204 -22.5204 -19.5848 -19.5817 -19.4216 -19.4171 -19.3842 -19.3831 -17.8153 -17.8149 -7.7037 -7.7036 -4.8860 -4.8845 -4.5326 -4.5295 -4.1092 -4.1070 -0.3712 -0.3707 1.0783 1.0790 2.0684 2.0688 4.7891 4.7908 10.7940 10.7946 11.0279 11.0294 13.0996 13.1020 k = 0.0417 0.4697 0.5342 ( 3342 PWs) bands (ev): -47.5291 -47.5291 -22.5207 -22.5207 -19.5840 -19.5815 -19.4205 -19.4168 -19.3840 -19.3830 -17.8160 -17.8157 -7.7078 -7.7077 -4.8841 -4.8828 -4.5287 -4.5260 -4.1126 -4.1107 -0.3691 -0.3687 1.0892 1.0897 2.0662 2.0666 4.7867 4.7881 10.7758 10.7763 11.0203 11.0215 13.0953 13.0973 k = 0.0333 0.4769 0.5269 ( 3338 PWs) bands (ev): -47.5291 -47.5291 -22.5210 -22.5210 -19.5834 -19.5813 -19.4196 -19.4166 -19.3837 -19.3829 -17.8167 -17.8164 -7.7112 -7.7112 -4.8826 -4.8816 -4.5250 -4.5228 -4.1156 -4.1140 -0.3673 -0.3669 1.0982 1.0987 2.0645 2.0648 4.7847 4.7858 10.7608 10.7612 11.0139 11.0149 13.0913 13.0928 k = 0.0250 0.4841 0.5196 ( 3342 PWs) bands (ev): -47.5291 -47.5291 -22.5212 -22.5212 -19.5828 -19.5813 -19.4188 -19.4165 -19.3835 -19.3829 -17.8172 -17.8170 -7.7139 -7.7139 -4.8815 -4.8807 -4.5218 -4.5202 -4.1181 -4.1168 -0.3658 -0.3656 1.1054 1.1057 2.0631 2.0633 4.7832 4.7840 10.7490 10.7494 11.0089 11.0096 13.0878 13.0889 k = 0.0167 0.4912 0.5123 ( 3342 PWs) bands (ev): -47.5291 -47.5291 -22.5214 -22.5214 -19.5823 -19.5813 -19.4181 -19.4166 -19.3833 -19.3829 -17.8175 -17.8174 -7.7158 -7.7158 -4.8808 -4.8802 -4.5193 -4.5182 -4.1198 -4.1190 -0.3648 -0.3646 1.1106 1.1108 2.0621 2.0623 4.7821 4.7826 10.7406 10.7408 11.0053 11.0058 13.0851 13.0859 k = 0.0083 0.4984 0.5050 ( 3342 PWs) bands (ev): -47.5291 -47.5291 -22.5215 -22.5215 -19.5819 -19.5814 -19.4176 -19.4168 -19.3832 -19.3830 -17.8177 -17.8177 -7.7170 -7.7170 -4.8803 -4.8800 -4.5176 -4.5170 -4.1208 -4.1204 -0.3641 -0.3640 1.1138 1.1139 2.0616 2.0616 4.7815 4.7817 10.7356 10.7357 11.0031 11.0034 13.0835 13.0839 k = 0.0000 0.5056 0.4977 ( 3346 PWs) bands (ev): -47.5291 -47.5291 -22.5215 -22.5215 -19.5816 -19.5816 -19.4171 -19.4171 -19.3831 -19.3831 -17.8178 -17.8178 -7.7174 -7.7174 -4.8800 -4.8800 -4.5169 -4.5169 -4.1210 -4.1210 -0.3639 -0.3639 1.1149 1.1149 2.0614 2.0614 4.7813 4.7813 10.7339 10.7339 11.0025 11.0025 13.0831 13.0831 k = 0.0000 0.5056 0.4977 ( 3346 PWs) bands (ev): -47.5291 -47.5291 -22.5215 -22.5215 -19.5816 -19.5816 -19.4171 -19.4171 -19.3831 -19.3831 -17.8178 -17.8178 -7.7174 -7.7174 -4.8800 -4.8800 -4.5169 -4.5169 -4.1210 -4.1210 -0.3639 -0.3639 1.1149 1.1149 2.0614 2.0614 4.7813 4.7813 10.7339 10.7339 11.0025 11.0025 13.0831 13.0831 k = 0.0104 0.5115 0.4917 ( 3348 PWs) bands (ev): -47.5291 -47.5291 -22.5215 -22.5215 -19.5818 -19.5815 -19.4172 -19.4171 -19.3832 -19.3830 -17.8178 -17.8178 -7.7175 -7.7175 -4.8800 -4.8798 -4.5168 -4.5167 -4.1211 -4.1209 -0.3636 -0.3635 1.1149 1.1150 2.0612 2.0612 4.7815 4.7816 10.7346 10.7346 11.0028 11.0030 13.0818 13.0819 k = 0.0208 0.5175 0.4857 ( 3342 PWs) bands (ev): -47.5291 -47.5291 -22.5214 -22.5213 -19.5820 -19.5814 -19.4172 -19.4172 -19.3834 -19.3829 -17.8178 -17.8178 -7.7180 -7.7179 -4.8797 -4.8794 -4.5164 -4.5164 -4.1212 -4.1207 -0.3627 -0.3625 1.1151 1.1153 2.0607 2.0608 4.7821 4.7823 10.7367 10.7367 11.0038 11.0041 13.0780 13.0782 k = 0.0311 0.5234 0.4796 ( 3348 PWs) bands (ev): -47.5291 -47.5291 -22.5212 -22.5212 -19.5822 -19.5814 -19.4173 -19.4172 -19.3837 -19.3830 -17.8179 -17.8179 -7.7187 -7.7186 -4.8793 -4.8787 -4.5159 -4.5158 -4.1212 -4.1204 -0.3612 -0.3608 1.1155 1.1158 2.0598 2.0599 4.7832 4.7834 10.7400 10.7401 11.0056 11.0060 13.0716 13.0720 k = 0.0415 0.5293 0.4736 ( 3341 PWs) bands (ev): -47.5291 -47.5291 -22.5210 -22.5209 -19.5824 -19.5813 -19.4174 -19.4173 -19.3840 -19.3831 -17.8181 -17.8181 -7.7196 -7.7195 -4.8785 -4.8778 -4.5151 -4.5150 -4.1211 -4.1201 -0.3590 -0.3585 1.1160 1.1165 2.0587 2.0589 4.7847 4.7850 10.7448 10.7448 11.0080 11.0086 13.0628 13.0633 k = 0.0519 0.5352 0.4676 ( 3337 PWs) bands (ev): -47.5291 -47.5291 -22.5207 -22.5206 -19.5827 -19.5813 -19.4175 -19.4174 -19.3844 -19.3832 -17.8182 -17.8182 -7.7209 -7.7207 -4.8775 -4.8766 -4.5141 -4.5140 -4.1210 -4.1198 -0.3562 -0.3556 1.1168 1.1174 2.0573 2.0575 4.7866 4.7870 10.7508 10.7508 11.0111 11.0119 13.0515 13.0521 k = 0.0623 0.5412 0.4616 ( 3339 PWs) bands (ev): -47.5291 -47.5291 -22.5203 -22.5203 -19.5830 -19.5814 -19.4177 -19.4176 -19.3848 -19.3835 -17.8184 -17.8184 -7.7224 -7.7222 -4.8763 -4.8752 -4.5129 -4.5128 -4.1209 -4.1194 -0.3528 -0.3521 1.1177 1.1184 2.0555 2.0558 4.7890 4.7895 10.7581 10.7582 11.0149 11.0158 13.0378 13.0385 k = 0.0727 0.5471 0.4555 ( 3347 PWs) bands (ev): -47.5291 -47.5291 -22.5199 -22.5199 -19.5834 -19.5815 -19.4179 -19.4178 -19.3854 -19.3838 -17.8187 -17.8187 -7.7241 -7.7239 -4.8748 -4.8736 -4.5115 -4.5114 -4.1208 -4.1191 -0.3489 -0.3481 1.1188 1.1196 2.0536 2.0539 4.7919 4.7925 10.7667 10.7667 11.0193 11.0204 13.0216 13.0224 k = 0.0830 0.5530 0.4495 ( 3343 PWs) bands (ev): -47.5291 -47.5291 -22.5195 -22.5194 -19.5837 -19.5817 -19.4181 -19.4180 -19.3859 -19.3840 -17.8190 -17.8190 -7.7261 -7.7259 -4.8731 -4.8716 -4.5099 -4.5097 -4.1207 -4.1187 -0.3443 -0.3434 1.1201 1.1210 2.0514 2.0517 4.7952 4.7959 10.7765 10.7765 11.0243 11.0256 13.0030 13.0040 k = 0.0934 0.5590 0.4435 ( 3344 PWs) bands (ev): -47.5292 -47.5292 -22.5190 -22.5188 -19.5842 -19.5818 -19.4184 -19.4183 -19.3865 -19.3844 -17.8193 -17.8193 -7.7284 -7.7282 -4.8710 -4.8694 -4.5081 -4.5079 -4.1206 -4.1184 -0.3392 -0.3382 1.1215 1.1226 2.0490 2.0493 4.7991 4.7998 10.7874 10.7874 11.0299 11.0313 12.9821 12.9832 k = 0.1038 0.5649 0.4375 ( 3338 PWs) bands (ev): -47.5292 -47.5292 -22.5184 -22.5183 -19.5846 -19.5820 -19.4186 -19.4185 -19.3870 -19.3847 -17.8196 -17.8196 -7.7309 -7.7306 -4.8687 -4.8669 -4.5062 -4.5059 -4.1205 -4.1181 -0.3335 -0.3324 1.1232 1.1243 2.0464 2.0468 4.8034 4.8042 10.7994 10.7995 11.0360 11.0375 12.9588 12.9600 k = 0.1142 0.5708 0.4314 ( 3332 PWs) bands (ev): -47.5291 -47.5291 -22.5178 -22.5176 -19.5850 -19.5822 -19.4189 -19.4188 -19.3877 -19.3851 -17.8199 -17.8199 -7.7336 -7.7333 -4.8661 -4.8642 -4.5041 -4.5038 -4.1205 -4.1179 -0.3273 -0.3261 1.1251 1.1263 2.0436 2.0441 4.8082 4.8091 10.8124 10.8125 11.0426 11.0442 12.9332 12.9346 k = 0.1246 0.5768 0.4254 ( 3334 PWs) bands (ev): -47.5292 -47.5292 -22.5171 -22.5170 -19.5855 -19.5825 -19.4192 -19.4192 -19.3884 -19.3856 -17.8203 -17.8203 -7.7366 -7.7363 -4.8632 -4.8612 -4.5018 -4.5015 -4.1205 -4.1178 -0.3206 -0.3193 1.1271 1.1284 2.0408 2.0412 4.8135 4.8144 10.8264 10.8264 11.0496 11.0514 12.9052 12.9067 k = 0.1349 0.5827 0.4194 ( 3343 PWs) bands (ev): -47.5292 -47.5292 -22.5165 -22.5163 -19.5860 -19.5828 -19.4196 -19.4196 -19.3892 -19.3861 -17.8207 -17.8207 -7.7398 -7.7394 -4.8600 -4.8578 -4.4994 -4.4991 -4.1207 -4.1178 -0.3135 -0.3120 1.1293 1.1307 2.0378 2.0383 4.8194 4.8203 10.8411 10.8412 11.0571 11.0590 12.8750 12.8766 k = 0.1453 0.5886 0.4134 ( 3341 PWs) bands (ev): -47.5292 -47.5292 -22.5157 -22.5156 -19.5865 -19.5831 -19.4200 -19.4199 -19.3899 -19.3866 -17.8212 -17.8212 -7.7432 -7.7428 -4.8565 -4.8542 -4.4969 -4.4966 -4.1210 -4.1179 -0.3058 -0.3043 1.1317 1.1332 2.0347 2.0353 4.8257 4.8268 10.8566 10.8566 11.0650 11.0670 12.8424 12.8441 k = 0.1557 0.5946 0.4073 ( 3337 PWs) bands (ev): -47.5292 -47.5292 -22.5150 -22.5148 -19.5870 -19.5835 -19.4204 -19.4202 -19.3907 -19.3871 -17.8216 -17.8216 -7.7468 -7.7464 -4.8526 -4.8502 -4.4942 -4.4939 -4.1214 -4.1181 -0.2978 -0.2961 1.1343 1.1359 2.0316 2.0322 4.8326 4.8337 10.8726 10.8726 11.0734 11.0754 12.8075 12.8094 k = 0.1661 0.6005 0.4013 ( 3337 PWs) bands (ev): -47.5292 -47.5292 -22.5143 -22.5141 -19.5875 -19.5838 -19.4209 -19.4206 -19.3914 -19.3876 -17.8221 -17.8221 -7.7505 -7.7501 -4.8485 -4.8459 -4.4915 -4.4912 -4.1219 -4.1185 -0.2893 -0.2876 1.1370 1.1388 2.0285 2.0291 4.8401 4.8412 10.8889 10.8889 11.0823 11.0844 12.7703 12.7723 k = 0.1764 0.6064 0.3953 ( 3337 PWs) bands (ev): -47.5292 -47.5292 -22.5135 -22.5133 -19.5881 -19.5842 -19.4214 -19.4210 -19.3922 -19.3882 -17.8225 -17.8225 -7.7545 -7.7540 -4.8440 -4.8412 -4.4887 -4.4884 -4.1226 -4.1190 -0.2805 -0.2787 1.1400 1.1418 2.0254 2.0261 4.8480 4.8492 10.9052 10.9054 11.0919 11.0939 12.7307 12.7328 k = 0.1868 0.6124 0.3893 ( 3337 PWs) bands (ev): -47.5292 -47.5292 -22.5127 -22.5125 -19.5886 -19.5846 -19.4219 -19.4213 -19.3930 -19.3887 -17.8230 -17.8230 -7.7586 -7.7581 -4.8391 -4.8363 -4.4859 -4.4855 -4.1234 -4.1197 -0.2713 -0.2694 1.1431 1.1450 2.0224 2.0231 4.8566 4.8578 10.9213 10.9217 11.1022 11.1041 12.6887 12.6909 k = 0.1972 0.6183 0.3832 ( 3335 PWs) bands (ev): -47.5292 -47.5292 -22.5119 -22.5117 -19.5892 -19.5851 -19.4224 -19.4217 -19.3938 -19.3892 -17.8235 -17.8235 -7.7628 -7.7623 -4.8339 -4.8310 -4.4830 -4.4826 -4.1244 -4.1206 -0.2619 -0.2599 1.1464 1.1484 2.0195 2.0201 4.8656 4.8669 10.9369 10.9374 11.1135 11.1153 12.6444 12.6467 k = 0.2076 0.6242 0.3772 ( 3337 PWs) bands (ev): -47.5292 -47.5292 -22.5112 -22.5110 -19.5897 -19.5855 -19.4230 -19.4221 -19.3945 -19.3898 -17.8240 -17.8240 -7.7672 -7.7667 -4.8284 -4.8254 -4.4801 -4.4797 -4.1255 -4.1216 -0.2521 -0.2501 1.1498 1.1519 2.0166 2.0173 4.8752 4.8766 10.9514 10.9522 11.1260 11.1276 12.5977 12.6000 k = 0.2180 0.6302 0.3712 ( 3336 PWs) bands (ev): -47.5292 -47.5292 -22.5104 -22.5102 -19.5903 -19.5860 -19.4235 -19.4225 -19.3953 -19.3902 -17.8245 -17.8245 -7.7717 -7.7712 -4.8225 -4.8195 -4.4772 -4.4768 -4.1269 -4.1228 -0.2422 -0.2400 1.1534 1.1555 2.0138 2.0146 4.8854 4.8867 10.9646 10.9657 11.1399 11.1412 12.5487 12.5510 k = 0.2283 0.6361 0.3652 ( 3337 PWs) bands (ev): -47.5293 -47.5293 -22.5097 -22.5094 -19.5909 -19.5865 -19.4241 -19.4230 -19.3960 -19.3907 -17.8249 -17.8249 -7.7763 -7.7758 -4.8164 -4.8132 -4.4743 -4.4739 -4.1284 -4.1242 -0.2320 -0.2298 1.1571 1.1593 2.0112 2.0120 4.8960 4.8974 10.9760 10.9775 11.1554 11.1564 12.4973 12.4997 k = 0.2387 0.6420 0.3591 ( 3343 PWs) bands (ev): -47.5293 -47.5293 -22.5090 -22.5087 -19.5914 -19.5870 -19.4247 -19.4234 -19.3967 -19.3912 -17.8254 -17.8254 -7.7810 -7.7805 -4.8098 -4.8066 -4.4715 -4.4711 -4.1301 -4.1259 -0.2217 -0.2194 1.1610 1.1632 2.0087 2.0095 4.9072 4.9086 10.9854 10.9872 11.1726 11.1732 12.4438 12.4461 k = 0.2491 0.6479 0.3531 ( 3343 PWs) bands (ev): -47.5293 -47.5293 -22.5083 -22.5081 -19.5920 -19.5875 -19.4253 -19.4239 -19.3973 -19.3917 -17.8259 -17.8259 -7.7858 -7.7852 -4.8030 -4.7998 -4.4687 -4.4682 -4.1319 -4.1276 -0.2112 -0.2089 1.1649 1.1672 2.0064 2.0072 4.9188 4.9203 10.9927 10.9948 11.1913 11.1916 12.3881 12.3904 k = 0.2595 0.6539 0.3471 ( 3351 PWs) bands (ev): -47.5293 -47.5293 -22.5077 -22.5074 -19.5926 -19.5881 -19.4260 -19.4243 -19.3979 -19.3921 -17.8263 -17.8263 -7.7907 -7.7901 -4.7959 -4.7926 -4.4660 -4.4655 -4.1339 -4.1296 -0.2007 -0.1983 1.1690 1.1713 2.0043 2.0051 4.9309 4.9324 10.9978 11.0003 11.2113 11.2114 12.3307 12.3329 k = 0.2699 0.6598 0.3411 ( 3351 PWs) bands (ev): -47.5293 -47.5293 -22.5071 -22.5068 -19.5931 -19.5886 -19.4266 -19.4248 -19.3984 -19.3924 -17.8268 -17.8268 -7.7956 -7.7949 -4.7884 -4.7851 -4.4633 -4.4629 -4.1360 -4.1317 -0.1900 -0.1876 1.1731 1.1755 2.0023 2.0031 4.9434 4.9449 11.0008 11.0036 11.2318 11.2322 12.2719 12.2740 k = 0.2802 0.6657 0.3350 ( 3349 PWs) bands (ev): -47.5293 -47.5293 -22.5065 -22.5063 -19.5936 -19.5891 -19.4272 -19.4252 -19.3989 -19.3928 -17.8272 -17.8272 -7.8005 -7.7998 -4.7807 -4.7773 -4.4608 -4.4603 -4.1383 -4.1339 -0.1793 -0.1769 1.1772 1.1797 2.0005 2.0014 4.9564 4.9579 11.0019 11.0049 11.2525 11.2532 12.2122 12.2141 k = 0.2906 0.6717 0.3290 ( 3349 PWs) bands (ev): -47.5294 -47.5294 -22.5060 -22.5058 -19.5941 -19.5896 -19.4278 -19.4257 -19.3993 -19.3930 -17.8276 -17.8276 -7.8054 -7.8048 -4.7726 -4.7692 -4.4584 -4.4579 -4.1407 -4.1363 -0.1686 -0.1661 1.1814 1.1839 1.9989 1.9998 4.9697 4.9712 11.0012 11.0043 11.2725 11.2736 12.1525 12.1543 k = 0.3010 0.6776 0.3230 ( 3345 PWs) bands (ev): -47.5294 -47.5294 -22.5056 -22.5053 -19.5945 -19.5901 -19.4283 -19.4261 -19.3996 -19.3933 -17.8279 -17.8279 -7.8103 -7.8097 -4.7643 -4.7609 -4.4561 -4.4556 -4.1432 -4.1387 -0.1580 -0.1554 1.1855 1.1880 1.9975 1.9984 4.9834 4.9849 10.9989 11.0022 11.2907 11.2920 12.0940 12.0955 k = 0.3114 0.6835 0.3170 ( 3345 PWs) bands (ev): -47.5294 -47.5294 -22.5052 -22.5050 -19.5950 -19.5906 -19.4289 -19.4266 -19.3999 -19.3935 -17.8282 -17.8282 -7.8152 -7.8145 -4.7557 -4.7523 -4.4539 -4.4535 -4.1458 -4.1413 -0.1474 -0.1448 1.1896 1.1922 1.9963 1.9972 4.9973 4.9988 10.9951 10.9985 11.3054 11.3070 12.0383 12.0396 k = 0.3218 0.6895 0.3109 ( 3347 PWs) bands (ev): -47.5294 -47.5294 -22.5050 -22.5047 -19.5954 -19.5910 -19.4294 -19.4271 -19.4001 -19.3937 -17.8285 -17.8285 -7.8200 -7.8194 -4.7468 -4.7434 -4.4520 -4.4515 -4.1485 -4.1440 -0.1368 -0.1343 1.1937 1.1962 1.9952 1.9961 5.0116 5.0131 10.9900 10.9934 11.3146 11.3164 11.9876 11.9887 k = 0.3321 0.6954 0.3049 ( 3350 PWs) bands (ev): -47.5294 -47.5294 -22.5047 -22.5045 -19.5958 -19.5915 -19.4300 -19.4275 -19.4003 -19.3938 -17.8288 -17.8288 -7.8248 -7.8242 -4.7377 -4.7343 -4.4502 -4.4498 -4.1512 -4.1468 -0.1264 -0.1238 1.1976 1.2001 1.9943 1.9952 5.0260 5.0275 10.9837 10.9871 11.3154 11.3174 11.9449 11.9457 k = 0.3425 0.7013 0.2989 ( 3349 PWs) bands (ev): -47.5295 -47.5295 -22.5046 -22.5043 -19.5962 -19.5920 -19.4305 -19.4279 -19.4003 -19.3939 -17.8290 -17.8290 -7.8296 -7.8289 -4.7284 -4.7250 -4.4487 -4.4482 -4.1540 -4.1496 -0.1161 -0.1135 1.2014 1.2039 1.9935 1.9944 5.0405 5.0420 10.9763 10.9796 11.3052 11.3073 11.9131 11.9137 k = 0.3529 0.7073 0.2929 ( 3351 PWs) bands (ev): -47.5295 -47.5295 -22.5045 -22.5043 -19.5966 -19.5924 -19.4310 -19.4284 -19.4003 -19.3939 -17.8292 -17.8292 -7.8342 -7.8336 -4.7189 -4.7155 -4.4473 -4.4468 -4.1568 -4.1524 -0.1060 -0.1034 1.2050 1.2075 1.9929 1.9938 5.0552 5.0566 10.9677 10.9710 11.2818 11.2839 11.8947 11.8952 k = 0.3529 0.7073 0.2929 ( 3351 PWs) bands (ev): -47.5295 -47.5295 -22.5045 -22.5043 -19.5966 -19.5924 -19.4310 -19.4284 -19.4003 -19.3939 -17.8292 -17.8292 -7.8342 -7.8336 -4.7189 -4.7155 -4.4473 -4.4468 -4.1568 -4.1524 -0.1060 -0.1034 1.2050 1.2075 1.9929 1.9938 5.0552 5.0566 10.9677 10.9710 11.2818 11.2839 11.8947 11.8952 k = 0.3586 0.7024 0.2816 ( 3349 PWs) bands (ev): -47.5295 -47.5295 -22.5045 -22.5043 -19.5972 -19.5932 -19.4318 -19.4292 -19.4002 -19.3939 -17.8294 -17.8294 -7.8427 -7.8421 -4.7006 -4.6973 -4.4450 -4.4445 -4.1620 -4.1577 -0.0871 -0.0845 1.2114 1.2140 1.9917 1.9926 5.0827 5.0841 10.9489 10.9521 11.2248 11.2267 11.8738 11.8742 k = 0.3642 0.6975 0.2703 ( 3341 PWs) bands (ev): -47.5295 -47.5295 -22.5046 -22.5043 -19.5978 -19.5939 -19.4326 -19.4299 -19.4000 -19.3938 -17.8297 -17.8297 -7.8511 -7.8505 -4.6819 -4.6787 -4.4428 -4.4423 -4.1672 -4.1630 -0.0680 -0.0654 1.2176 1.2202 1.9904 1.9913 5.1106 5.1120 10.9271 10.9299 11.1670 11.1687 11.8535 11.8538 k = 0.3699 0.6926 0.2591 ( 3321 PWs) bands (ev): -47.5296 -47.5296 -22.5047 -22.5044 -19.5983 -19.5947 -19.4333 -19.4306 -19.3997 -19.3937 -17.8298 -17.8298 -7.8594 -7.8588 -4.6628 -4.6597 -4.4408 -4.4403 -4.1723 -4.1683 -0.0486 -0.0461 1.2236 1.2261 1.9890 1.9899 5.1386 5.1400 10.9024 10.9050 11.1085 11.1100 11.8340 11.8341 k = 0.3755 0.6878 0.2478 ( 3321 PWs) bands (ev): -47.5296 -47.5296 -22.5048 -22.5045 -19.5990 -19.5955 -19.4342 -19.4314 -19.3995 -19.3936 -17.8300 -17.8300 -7.8676 -7.8670 -4.6436 -4.6405 -4.4389 -4.4384 -4.1775 -4.1735 -0.0294 -0.0269 1.2293 1.2318 1.9874 1.9884 5.1667 5.1679 10.8754 10.8776 11.0496 11.0508 11.8148 11.8148 k = 0.3812 0.6829 0.2365 ( 3321 PWs) bands (ev): -47.5296 -47.5296 -22.5049 -22.5047 -19.5996 -19.5964 -19.4349 -19.4322 -19.3993 -19.3935 -17.8301 -17.8301 -7.8756 -7.8750 -4.6243 -4.6213 -4.4370 -4.4366 -4.1826 -4.1788 -0.0101 -0.0077 1.2348 1.2372 1.9858 1.9867 5.1946 5.1958 10.8460 10.8478 10.9911 10.9918 11.7568 11.7597 k = 0.3868 0.6780 0.2253 ( 3321 PWs) bands (ev): -47.5297 -47.5297 -22.5051 -22.5049 -19.6003 -19.5972 -19.4357 -19.4330 -19.3990 -19.3934 -17.8302 -17.8302 -7.8834 -7.8828 -4.6050 -4.6020 -4.4353 -4.4349 -4.1877 -4.1839 0.0090 0.0114 1.2400 1.2424 1.9841 1.9850 5.2224 5.2236 10.8141 10.8153 10.9338 10.9340 11.6955 11.6982 k = 0.3925 0.6732 0.2140 ( 3321 PWs) bands (ev): -47.5297 -47.5297 -22.5053 -22.5051 -19.6010 -19.5981 -19.4364 -19.4338 -19.3987 -19.3933 -17.8303 -17.8303 -7.8910 -7.8904 -4.5858 -4.5828 -4.4337 -4.4333 -4.1926 -4.1889 0.0279 0.0303 1.2450 1.2473 1.9824 1.9832 5.2498 5.2509 10.7786 10.7791 10.8790 10.8795 11.6363 11.6389 k = 0.3982 0.6683 0.2027 ( 3320 PWs) bands (ev): -47.5298 -47.5298 -22.5055 -22.5053 -19.6017 -19.5989 -19.4371 -19.4345 -19.3983 -19.3932 -17.8304 -17.8304 -7.8984 -7.8978 -4.5667 -4.5638 -4.4323 -4.4318 -4.1975 -4.1939 0.0465 0.0488 1.2497 1.2520 1.9806 1.9814 5.2768 5.2779 10.7378 10.7382 10.8291 10.8303 11.5792 11.5817 k = 0.4038 0.6634 0.1915 ( 3320 PWs) bands (ev): -47.5298 -47.5298 -22.5057 -22.5055 -19.6023 -19.5997 -19.4378 -19.4352 -19.3980 -19.3931 -17.8304 -17.8304 -7.9055 -7.9049 -4.5479 -4.5450 -4.4309 -4.4305 -4.2022 -4.1987 0.0647 0.0670 1.2541 1.2563 1.9788 1.9796 5.3033 5.3043 10.6908 10.6917 10.7859 10.7876 11.5245 11.5269 k = 0.4095 0.6585 0.1802 ( 3316 PWs) bands (ev): -47.5298 -47.5298 -22.5060 -22.5058 -19.6030 -19.6005 -19.4384 -19.4359 -19.3976 -19.3930 -17.8304 -17.8304 -7.9123 -7.9117 -4.5295 -4.5267 -4.4296 -4.4292 -4.2067 -4.2033 0.0825 0.0847 1.2583 1.2604 1.9769 1.9778 5.3291 5.3301 10.6393 10.6405 10.7489 10.7509 11.4723 11.4745 k = 0.4151 0.6537 0.1690 ( 3318 PWs) bands (ev): -47.5299 -47.5299 -22.5062 -22.5060 -19.6036 -19.6014 -19.4390 -19.4366 -19.3973 -19.3929 -17.8304 -17.8304 -7.9188 -7.9183 -4.5116 -4.5088 -4.4284 -4.4280 -4.2111 -4.2078 0.0998 0.1019 1.2622 1.2643 1.9751 1.9759 5.3541 5.3550 10.5856 10.5869 10.7165 10.7184 11.4225 11.4246 k = 0.4208 0.6488 0.1577 ( 3322 PWs) bands (ev): -47.5299 -47.5299 -22.5065 -22.5063 -19.6043 -19.6022 -19.4395 -19.4373 -19.3969 -19.3928 -17.8304 -17.8304 -7.9250 -7.9245 -4.4943 -4.4916 -4.4273 -4.4269 -4.2153 -4.2121 0.1164 0.1184 1.2659 1.2678 1.9734 1.9741 5.3782 5.3790 10.5317 10.5329 10.6871 10.6889 11.3755 11.3774 k = 0.4264 0.6439 0.1464 ( 3326 PWs) bands (ev): -47.5300 -47.5300 -22.5067 -22.5066 -19.6049 -19.6030 -19.4401 -19.4379 -19.3966 -19.3927 -17.8304 -17.8304 -7.9308 -7.9303 -4.4777 -4.4751 -4.4263 -4.4259 -4.2193 -4.2162 0.1322 0.1341 1.2693 1.2711 1.9716 1.9724 5.4012 5.4020 10.4788 10.4799 10.6600 10.6617 11.3312 11.3330 k = 0.4321 0.6390 0.1352 ( 3324 PWs) bands (ev): -47.5300 -47.5300 -22.5070 -22.5068 -19.6054 -19.6037 -19.4405 -19.4385 -19.3962 -19.3926 -17.8304 -17.8304 -7.9363 -7.9359 -4.4620 -4.4593 -4.4253 -4.4249 -4.2231 -4.2201 0.1473 0.1491 1.2724 1.2742 1.9700 1.9706 5.4231 5.4239 10.4278 10.4287 10.6350 10.6365 11.2897 11.2914 k = 0.4378 0.6342 0.1239 ( 3318 PWs) bands (ev): -47.5300 -47.5300 -22.5072 -22.5071 -19.6059 -19.6043 -19.4409 -19.4390 -19.3958 -19.3925 -17.8303 -17.8303 -7.9414 -7.9410 -4.4471 -4.4445 -4.4244 -4.4240 -4.2267 -4.2238 0.1615 0.1632 1.2753 1.2770 1.9684 1.9690 5.4438 5.4445 10.3792 10.3800 10.6117 10.6131 11.2512 11.2528 k = 0.4434 0.6293 0.1126 ( 3314 PWs) bands (ev): -47.5300 -47.5300 -22.5074 -22.5073 -19.6064 -19.6050 -19.4412 -19.4395 -19.3954 -19.3924 -17.8303 -17.8303 -7.9461 -7.9457 -4.4334 -4.4308 -4.4233 -4.4228 -4.2300 -4.2272 0.1748 0.1764 1.2779 1.2795 1.9669 1.9675 5.4631 5.4637 10.3336 10.3343 10.5903 10.5915 11.2158 11.2172 k = 0.4491 0.6244 0.1014 ( 3314 PWs) bands (ev): -47.5301 -47.5301 -22.5076 -22.5075 -19.6069 -19.6056 -19.4416 -19.4400 -19.3951 -19.3923 -17.8303 -17.8303 -7.9504 -7.9501 -4.4244 -4.4237 -4.4182 -4.4168 -4.2330 -4.2304 0.1870 0.1885 1.2803 1.2817 1.9655 1.9660 5.4809 5.4815 10.2913 10.2920 10.5708 10.5718 11.1834 11.1847 k = 0.4547 0.6196 0.0901 ( 3306 PWs) bands (ev): -47.5301 -47.5301 -22.5078 -22.5077 -19.6073 -19.6061 -19.4418 -19.4404 -19.3947 -19.3923 -17.8302 -17.8302 -7.9543 -7.9540 -4.4228 -4.4227 -4.4073 -4.4054 -4.2358 -4.2333 0.1982 0.1995 1.2825 1.2837 1.9642 1.9647 5.4971 5.4976 10.2527 10.2533 10.5531 10.5540 11.1543 11.1554 k = 0.4604 0.6147 0.0788 ( 3302 PWs) bands (ev): -47.5301 -47.5301 -22.5080 -22.5079 -19.6076 -19.6066 -19.4420 -19.4408 -19.3944 -19.3922 -17.8302 -17.8302 -7.9577 -7.9574 -4.4221 -4.4221 -4.3968 -4.3949 -4.2382 -4.2359 0.2082 0.2094 1.2844 1.2855 1.9630 1.9635 5.5117 5.5121 10.2181 10.2185 10.5374 10.5382 11.1284 11.1294 k = 0.4661 0.6098 0.0676 ( 3310 PWs) bands (ev): -47.5301 -47.5301 -22.5082 -22.5081 -19.6080 -19.6071 -19.4423 -19.4412 -19.3941 -19.3923 -17.8301 -17.8301 -7.9607 -7.9605 -4.4216 -4.4216 -4.3874 -4.3856 -4.2404 -4.2383 0.2170 0.2180 1.2860 1.2869 1.9620 1.9624 5.5245 5.5249 10.1876 10.1879 10.5236 10.5243 11.1058 11.1067 k = 0.4717 0.6049 0.0563 ( 3310 PWs) bands (ev): -47.5301 -47.5301 -22.5083 -22.5083 -19.6082 -19.6075 -19.4424 -19.4415 -19.3938 -19.3923 -17.8301 -17.8301 -7.9633 -7.9631 -4.4212 -4.4212 -4.3793 -4.3777 -4.2422 -4.2404 0.2245 0.2253 1.2874 1.2882 1.9611 1.9614 5.5355 5.5358 10.1614 10.1617 10.5119 10.5124 11.0867 11.0874 k = 0.4774 0.6001 0.0451 ( 3310 PWs) bands (ev): -47.5302 -47.5302 -22.5084 -22.5084 -19.6084 -19.6079 -19.4425 -19.4418 -19.3936 -19.3923 -17.8301 -17.8301 -7.9654 -7.9652 -4.4209 -4.4208 -4.3725 -4.3712 -4.2437 -4.2422 0.2308 0.2314 1.2885 1.2892 1.9604 1.9606 5.5446 5.5448 10.1398 10.1401 10.5022 10.5027 11.0709 11.0715 k = 0.4830 0.5952 0.0338 ( 3314 PWs) bands (ev): -47.5302 -47.5302 -22.5085 -22.5085 -19.6086 -19.6082 -19.4426 -19.4421 -19.3933 -19.3924 -17.8301 -17.8301 -7.9670 -7.9669 -4.4206 -4.4206 -4.3671 -4.3661 -4.2448 -4.2436 0.2357 0.2362 1.2894 1.2899 1.9598 1.9600 5.5516 5.5518 10.1229 10.1231 10.4947 10.4950 11.0587 11.0591 k = 0.4887 0.5903 0.0225 ( 3306 PWs) bands (ev): -47.5302 -47.5302 -22.5086 -22.5086 -19.6086 -19.6084 -19.4426 -19.4422 -19.3931 -19.3925 -17.8300 -17.8300 -7.9682 -7.9681 -4.4204 -4.4204 -4.3632 -4.3624 -4.2455 -4.2447 0.2392 0.2396 1.2901 1.2905 1.9595 1.9596 5.5568 5.5569 10.1108 10.1109 10.4893 10.4895 11.0499 11.0502 k = 0.4943 0.5855 0.0113 ( 3306 PWs) bands (ev): -47.5302 -47.5302 -22.5086 -22.5086 -19.6087 -19.6085 -19.4426 -19.4424 -19.3929 -19.3926 -17.8300 -17.8300 -7.9689 -7.9688 -4.4203 -4.4203 -4.3607 -4.3603 -4.2459 -4.2455 0.2414 0.2416 1.2906 1.2907 1.9593 1.9593 5.5599 5.5600 10.1034 10.1035 10.4861 10.4862 11.0447 11.0448 k = 0.5000 0.5806 0.0000 ( 3312 PWs) bands (ev): -47.5302 -47.5302 -22.5086 -22.5086 -19.6087 -19.6087 -19.4425 -19.4425 -19.3928 -19.3928 -17.8300 -17.8300 -7.9691 -7.9691 -4.4203 -4.4203 -4.3598 -4.3598 -4.2459 -4.2459 0.2422 0.2422 1.2908 1.2908 1.9592 1.9592 5.5609 5.5609 10.1010 10.1010 10.4850 10.4850 11.0430 11.0430 k = 0.5000 0.5806 0.0000 ( 3312 PWs) bands (ev): -47.5302 -47.5302 -22.5086 -22.5086 -19.6087 -19.6087 -19.4425 -19.4425 -19.3928 -19.3928 -17.8300 -17.8300 -7.9691 -7.9691 -4.4203 -4.4203 -4.3598 -4.3598 -4.2459 -4.2459 0.2422 0.2422 1.2908 1.2908 1.9592 1.9592 5.5609 5.5609 10.1010 10.1010 10.4850 10.4850 11.0430 11.0430 k = 0.4912 0.5704 0.0000 ( 3310 PWs) bands (ev): -47.5302 -47.5302 -22.5087 -22.5087 -19.6086 -19.6086 -19.4425 -19.4425 -19.3927 -19.3927 -17.8300 -17.8300 -7.9690 -7.9690 -4.4205 -4.4205 -4.3596 -4.3596 -4.2459 -4.2459 0.2420 0.2420 1.2903 1.2903 1.9591 1.9591 5.5606 5.5606 10.0949 10.0949 10.4868 10.4868 11.0448 11.0448 k = 0.4825 0.5602 0.0000 ( 3310 PWs) bands (ev): -47.5302 -47.5302 -22.5089 -22.5089 -19.6085 -19.6085 -19.4424 -19.4424 -19.3926 -19.3926 -17.8298 -17.8298 -7.9685 -7.9685 -4.4211 -4.4211 -4.3591 -4.3591 -4.2459 -4.2459 0.2413 0.2413 1.2891 1.2891 1.9590 1.9590 5.5595 5.5595 10.0769 10.0769 10.4920 10.4920 11.0504 11.0504 k = 0.4737 0.5500 0.0000 ( 3318 PWs) bands (ev): -47.5302 -47.5302 -22.5093 -22.5093 -19.6084 -19.6084 -19.4422 -19.4422 -19.3926 -19.3926 -17.8296 -17.8296 -7.9678 -7.9678 -4.4222 -4.4222 -4.3582 -4.3582 -4.2460 -4.2460 0.2402 0.2402 1.2871 1.2871 1.9587 1.9587 5.5578 5.5578 10.0485 10.0485 10.4999 10.4999 11.0596 11.0596 k = 0.4649 0.5398 0.0000 ( 3314 PWs) bands (ev): -47.5302 -47.5302 -22.5098 -22.5098 -19.6081 -19.6081 -19.4420 -19.4420 -19.3924 -19.3924 -17.8293 -17.8293 -7.9668 -7.9668 -4.4236 -4.4236 -4.3570 -4.3570 -4.2460 -4.2460 0.2386 0.2386 1.2843 1.2843 1.9583 1.9583 5.5554 5.5554 10.0112 10.0112 10.5099 10.5099 11.0726 11.0726 k = 0.4561 0.5296 0.0000 ( 3316 PWs) bands (ev): -47.5302 -47.5302 -22.5104 -22.5104 -19.6079 -19.6079 -19.4417 -19.4417 -19.3921 -19.3921 -17.8290 -17.8290 -7.9656 -7.9656 -4.4255 -4.4255 -4.3554 -4.3554 -4.2461 -4.2461 0.2367 0.2367 1.2807 1.2807 1.9577 1.9577 5.5523 5.5523 9.9667 9.9667 10.5217 10.5217 11.0893 11.0893 k = 0.4474 0.5195 0.0000 ( 3324 PWs) bands (ev): -47.5302 -47.5302 -22.5112 -22.5112 -19.6076 -19.6076 -19.4414 -19.4414 -19.3919 -19.3919 -17.8285 -17.8285 -7.9640 -7.9640 -4.4277 -4.4277 -4.3536 -4.3536 -4.2462 -4.2462 0.2343 0.2343 1.2763 1.2763 1.9570 1.9570 5.5485 5.5485 9.9166 9.9166 10.5350 10.5350 11.1096 11.1096 k = 0.4386 0.5093 0.0000 ( 3320 PWs) bands (ev): -47.5302 -47.5302 -22.5121 -22.5121 -19.6071 -19.6071 -19.4410 -19.4410 -19.3915 -19.3915 -17.8279 -17.8279 -7.9621 -7.9621 -4.4304 -4.4304 -4.3513 -4.3513 -4.2463 -4.2463 0.2314 0.2314 1.2712 1.2712 1.9562 1.9562 5.5441 5.5441 9.8622 9.8622 10.5497 10.5497 11.1335 11.1335 k = 0.4298 0.4991 0.0000 ( 3324 PWs) bands (ev): -47.5302 -47.5302 -22.5132 -22.5132 -19.6067 -19.6067 -19.4406 -19.4406 -19.3912 -19.3912 -17.8273 -17.8273 -7.9599 -7.9599 -4.4334 -4.4334 -4.3488 -4.3488 -4.2464 -4.2464 0.2282 0.2282 1.2654 1.2654 1.9552 1.9552 5.5391 5.5391 9.8045 9.8045 10.5657 10.5657 11.1611 11.1611 k = 0.4211 0.4889 0.0000 ( 3320 PWs) bands (ev): -47.5302 -47.5302 -22.5143 -22.5143 -19.6061 -19.6061 -19.4401 -19.4401 -19.3908 -19.3908 -17.8266 -17.8266 -7.9574 -7.9574 -4.4368 -4.4368 -4.3459 -4.3459 -4.2466 -4.2466 0.2246 0.2246 1.2588 1.2588 1.9540 1.9540 5.5334 5.5334 9.7444 9.7444 10.5831 10.5831 11.1922 11.1922 k = 0.4123 0.4787 0.0000 ( 3324 PWs) bands (ev): -47.5302 -47.5302 -22.5156 -22.5156 -19.6056 -19.6056 -19.4395 -19.4395 -19.3904 -19.3904 -17.8258 -17.8258 -7.9546 -7.9546 -4.4406 -4.4406 -4.3428 -4.3428 -4.2467 -4.2467 0.2206 0.2206 1.2515 1.2515 1.9525 1.9525 5.5271 5.5271 9.6827 9.6827 10.6021 10.6021 11.2269 11.2269 k = 0.4035 0.4685 0.0000 ( 3324 PWs) bands (ev): -47.5302 -47.5302 -22.5170 -22.5170 -19.6050 -19.6050 -19.4389 -19.4389 -19.3899 -19.3899 -17.8249 -17.8249 -7.9514 -7.9514 -4.4447 -4.4447 -4.3393 -4.3393 -4.2470 -4.2470 0.2162 0.2162 1.2436 1.2436 1.9508 1.9508 5.5203 5.5203 9.6200 9.6200 10.6226 10.6226 11.2652 11.2652 k = 0.3947 0.4584 0.0000 ( 3328 PWs) bands (ev): -47.5302 -47.5302 -22.5184 -22.5184 -19.6043 -19.6043 -19.4383 -19.4383 -19.3894 -19.3894 -17.8240 -17.8240 -7.9479 -7.9479 -4.4492 -4.4492 -4.3355 -4.3355 -4.2473 -4.2473 0.2115 0.2115 1.2351 1.2351 1.9489 1.9489 5.5129 5.5129 9.5567 9.5567 10.6448 10.6448 11.3069 11.3069 k = 0.3860 0.4482 0.0000 ( 3324 PWs) bands (ev): -47.5302 -47.5302 -22.5200 -22.5200 -19.6036 -19.6036 -19.4377 -19.4377 -19.3889 -19.3889 -17.8229 -17.8229 -7.9441 -7.9441 -4.4540 -4.4540 -4.3315 -4.3315 -4.2476 -4.2476 0.2064 0.2064 1.2259 1.2259 1.9466 1.9466 5.5049 5.5049 9.4933 9.4933 10.6687 10.6687 11.3520 11.3520 k = 0.3772 0.4380 0.0000 ( 3324 PWs) bands (ev): -47.5303 -47.5303 -22.5217 -22.5217 -19.6028 -19.6028 -19.4370 -19.4370 -19.3884 -19.3884 -17.8218 -17.8218 -7.9399 -7.9399 -4.4592 -4.4592 -4.3271 -4.3271 -4.2479 -4.2479 0.2010 0.2010 1.2162 1.2162 1.9441 1.9441 5.4964 5.4964 9.4300 9.4300 10.6944 10.6944 11.4006 11.4006 k = 0.3684 0.4278 0.0000 ( 3320 PWs) bands (ev): -47.5303 -47.5303 -22.5234 -22.5234 -19.6021 -19.6021 -19.4363 -19.4363 -19.3878 -19.3878 -17.8206 -17.8206 -7.9354 -7.9354 -4.4646 -4.4646 -4.3225 -4.3225 -4.2483 -4.2483 0.1953 0.1953 1.2059 1.2059 1.9412 1.9412 5.4875 5.4875 9.3671 9.3671 10.7219 10.7219 11.4525 11.4525 k = 0.3596 0.4176 0.0000 ( 3314 PWs) bands (ev): -47.5303 -47.5303 -22.5252 -22.5252 -19.6013 -19.6013 -19.4355 -19.4355 -19.3872 -19.3872 -17.8194 -17.8194 -7.9305 -7.9305 -4.4703 -4.4703 -4.3177 -4.3177 -4.2487 -4.2487 0.1893 0.1893 1.1952 1.1952 1.9379 1.9379 5.4780 5.4780 9.3050 9.3050 10.7514 10.7514 11.5076 11.5076 k = 0.3509 0.4074 0.0000 ( 3310 PWs) bands (ev): -47.5303 -47.5303 -22.5270 -22.5270 -19.6004 -19.6004 -19.4347 -19.4347 -19.3866 -19.3866 -17.8181 -17.8181 -7.9252 -7.9252 -4.4763 -4.4763 -4.3126 -4.3126 -4.2493 -4.2493 0.1830 0.1830 1.1840 1.1840 1.9343 1.9343 5.4682 5.4682 9.2437 9.2437 10.7828 10.7828 11.5660 11.5660 k = 0.3421 0.3972 0.0000 ( 3314 PWs) bands (ev): -47.5303 -47.5303 -22.5289 -22.5289 -19.5996 -19.5996 -19.4340 -19.4340 -19.3861 -19.3861 -17.8167 -17.8167 -7.9196 -7.9196 -4.4826 -4.4826 -4.3073 -4.3073 -4.2498 -4.2498 0.1765 0.1765 1.1723 1.1723 1.9302 1.9302 5.4579 5.4579 9.1835 9.1835 10.8161 10.8161 11.6276 11.6276 k = 0.3333 0.3871 0.0000 ( 3318 PWs) bands (ev): -47.5303 -47.5303 -22.5309 -22.5309 -19.5988 -19.5988 -19.4332 -19.4332 -19.3856 -19.3856 -17.8153 -17.8153 -7.9137 -7.9137 -4.4891 -4.4891 -4.3018 -4.3018 -4.2505 -4.2505 0.1697 0.1697 1.1603 1.1603 1.9257 1.9257 5.4473 5.4473 9.1244 9.1244 10.8514 10.8514 11.6923 11.6923 k = 0.3246 0.3769 0.0000 ( 3318 PWs) bands (ev): -47.5303 -47.5303 -22.5329 -22.5329 -19.5979 -19.5979 -19.4325 -19.4325 -19.3851 -19.3851 -17.8138 -17.8138 -7.9073 -7.9073 -4.4958 -4.4958 -4.2962 -4.2962 -4.2511 -4.2511 0.1627 0.1627 1.1479 1.1479 1.9208 1.9208 5.4364 5.4364 9.0667 9.0667 10.8887 10.8887 11.7600 11.7600 k = 0.3158 0.3667 0.0000 ( 3332 PWs) bands (ev): -47.5303 -47.5303 -22.5349 -22.5349 -19.5971 -19.5971 -19.4317 -19.4317 -19.3847 -19.3847 -17.8122 -17.8122 -7.9006 -7.9006 -4.5028 -4.5028 -4.2904 -4.2904 -4.2519 -4.2519 0.1556 0.1556 1.1352 1.1352 1.9153 1.9153 5.4251 5.4251 9.0104 9.0104 10.9281 10.9281 11.8307 11.8307 k = 0.3070 0.3565 0.0000 ( 3334 PWs) bands (ev): -47.5304 -47.5304 -22.5369 -22.5369 -19.5963 -19.5963 -19.4310 -19.4310 -19.3842 -19.3842 -17.8106 -17.8106 -7.8936 -7.8936 -4.5098 -4.5098 -4.2845 -4.2845 -4.2526 -4.2526 0.1483 0.1483 1.1222 1.1222 1.9094 1.9094 5.4136 5.4136 8.9556 8.9556 10.9694 10.9694 11.9043 11.9043 k = 0.2982 0.3463 0.0000 ( 3340 PWs) bands (ev): -47.5304 -47.5304 -22.5389 -22.5389 -19.5955 -19.5955 -19.4302 -19.4302 -19.3838 -19.3838 -17.8090 -17.8090 -7.8862 -7.8862 -4.5171 -4.5171 -4.2785 -4.2785 -4.2533 -4.2533 0.1408 0.1408 1.1091 1.1091 1.9030 1.9030 5.4018 5.4018 8.9023 8.9023 11.0128 11.0128 11.9808 11.9808 k = 0.2895 0.3361 0.0000 ( 3340 PWs) bands (ev): -47.5304 -47.5304 -22.5409 -22.5409 -19.5946 -19.5946 -19.4294 -19.4294 -19.3834 -19.3834 -17.8073 -17.8073 -7.8785 -7.8785 -4.5244 -4.5244 -4.2727 -4.2727 -4.2538 -4.2538 0.1333 0.1333 1.0958 1.0958 1.8961 1.8961 5.3898 5.3898 8.8508 8.8508 11.0581 11.0581 12.0599 12.0599 k = 0.2807 0.3259 0.0000 ( 3340 PWs) bands (ev): -47.5304 -47.5304 -22.5429 -22.5429 -19.5938 -19.5938 -19.4286 -19.4286 -19.3831 -19.3831 -17.8056 -17.8056 -7.8705 -7.8705 -4.5319 -4.5319 -4.2673 -4.2673 -4.2538 -4.2538 0.1256 0.1256 1.0823 1.0823 1.8887 1.8887 5.3777 5.3777 8.8010 8.8010 11.1054 11.1054 12.1417 12.1417 k = 0.2719 0.3158 0.0000 ( 3344 PWs) bands (ev): -47.5304 -47.5304 -22.5449 -22.5449 -19.5930 -19.5930 -19.4279 -19.4279 -19.3828 -19.3828 -17.8038 -17.8038 -7.8621 -7.8621 -4.5394 -4.5394 -4.2633 -4.2633 -4.2524 -4.2524 0.1179 0.1179 1.0688 1.0688 1.8809 1.8809 5.3655 5.3655 8.7529 8.7529 11.1546 11.1546 12.2261 12.2261 k = 0.2632 0.3056 0.0000 ( 3340 PWs) bands (ev): -47.5304 -47.5304 -22.5469 -22.5469 -19.5922 -19.5922 -19.4271 -19.4271 -19.3825 -19.3825 -17.8020 -17.8020 -7.8535 -7.8535 -4.5471 -4.5471 -4.2618 -4.2618 -4.2485 -4.2485 0.1101 0.1101 1.0552 1.0552 1.8726 1.8726 5.3532 5.3532 8.7066 8.7066 11.2057 11.2057 12.3130 12.3130 k = 0.2544 0.2954 0.0000 ( 3332 PWs) bands (ev): -47.5304 -47.5304 -22.5488 -22.5488 -19.5914 -19.5914 -19.4263 -19.4263 -19.3822 -19.3822 -17.8002 -17.8002 -7.8446 -7.8446 -4.5547 -4.5547 -4.2619 -4.2619 -4.2430 -4.2430 0.1024 0.1024 1.0417 1.0417 1.8638 1.8638 5.3408 5.3408 8.6622 8.6622 11.2587 11.2587 12.4022 12.4022 k = 0.2456 0.2852 0.0000 ( 3340 PWs) bands (ev): -47.5304 -47.5304 -22.5507 -22.5507 -19.5906 -19.5906 -19.4256 -19.4256 -19.3821 -19.3821 -17.7983 -17.7983 -7.8354 -7.8354 -4.5624 -4.5624 -4.2628 -4.2628 -4.2368 -4.2368 0.0946 0.0946 1.0281 1.0281 1.8546 1.8546 5.3284 5.3284 8.6196 8.6196 11.3134 11.3134 12.4937 12.4937 k = 0.2368 0.2750 0.0000 ( 3344 PWs) bands (ev): -47.5305 -47.5305 -22.5526 -22.5526 -19.5899 -19.5899 -19.4249 -19.4249 -19.3820 -19.3820 -17.7965 -17.7965 -7.8261 -7.8261 -4.5701 -4.5701 -4.2639 -4.2639 -4.2304 -4.2304 0.0868 0.0868 1.0146 1.0146 1.8450 1.8450 5.3160 5.3160 8.5789 8.5789 11.3699 11.3699 12.5873 12.5873 k = 0.2281 0.2648 0.0000 ( 3354 PWs) bands (ev): -47.5305 -47.5305 -22.5544 -22.5544 -19.5893 -19.5893 -19.4243 -19.4243 -19.3819 -19.3819 -17.7946 -17.7946 -7.8166 -7.8166 -4.5778 -4.5778 -4.2651 -4.2651 -4.2240 -4.2240 0.0791 0.0791 1.0012 1.0012 1.8349 1.8349 5.3037 5.3037 8.5401 8.5401 11.4279 11.4279 12.6830 12.6830 k = 0.2193 0.2546 0.0000 ( 3358 PWs) bands (ev): -47.5305 -47.5305 -22.5562 -22.5562 -19.5887 -19.5887 -19.4236 -19.4236 -19.3820 -19.3820 -17.7928 -17.7928 -7.8069 -7.8069 -4.5854 -4.5854 -4.2665 -4.2665 -4.2174 -4.2174 0.0714 0.0714 0.9880 0.9880 1.8245 1.8245 5.2915 5.2915 8.5032 8.5032 11.4876 11.4876 12.7805 12.7805 k = 0.2105 0.2445 0.0000 ( 3354 PWs) bands (ev): -47.5305 -47.5305 -22.5579 -22.5579 -19.5880 -19.5880 -19.4229 -19.4229 -19.3819 -19.3819 -17.7909 -17.7909 -7.7971 -7.7971 -4.5929 -4.5929 -4.2679 -4.2679 -4.2109 -4.2109 0.0639 0.0639 0.9750 0.9750 1.8139 1.8139 5.2794 5.2794 8.4682 8.4682 11.5487 11.5487 12.8798 12.8798 k = 0.2018 0.2343 0.0000 ( 3354 PWs) bands (ev): -47.5305 -47.5305 -22.5595 -22.5595 -19.5874 -19.5874 -19.4223 -19.4223 -19.3820 -19.3820 -17.7891 -17.7891 -7.7872 -7.7872 -4.6004 -4.6004 -4.2693 -4.2693 -4.2044 -4.2044 0.0565 0.0565 0.9622 0.9622 1.8029 1.8029 5.2675 5.2675 8.4350 8.4350 11.6111 11.6111 12.9807 12.9807 k = 0.1930 0.2241 0.0000 ( 3358 PWs) bands (ev): -47.5305 -47.5305 -22.5611 -22.5611 -19.5869 -19.5869 -19.4217 -19.4217 -19.3821 -19.3821 -17.7873 -17.7873 -7.7773 -7.7773 -4.6077 -4.6077 -4.2708 -4.2708 -4.1980 -4.1980 0.0492 0.0492 0.9497 0.9497 1.7918 1.7918 5.2558 5.2558 8.4037 8.4037 11.6747 11.6747 13.0830 13.0830 k = 0.1842 0.2139 0.0000 ( 3358 PWs) bands (ev): -47.5306 -47.5306 -22.5626 -22.5626 -19.5864 -19.5864 -19.4211 -19.4211 -19.3823 -19.3823 -17.7855 -17.7855 -7.7673 -7.7673 -4.6149 -4.6149 -4.2723 -4.2723 -4.1917 -4.1917 0.0421 0.0421 0.9375 0.9375 1.7804 1.7804 5.2444 5.2444 8.3742 8.3742 11.7394 11.7394 13.1865 13.1865 k = 0.1754 0.2037 0.0000 ( 3358 PWs) bands (ev): -47.5306 -47.5306 -22.5640 -22.5640 -19.5859 -19.5859 -19.4205 -19.4205 -19.3825 -19.3825 -17.7837 -17.7837 -7.7575 -7.7575 -4.6219 -4.6219 -4.2738 -4.2738 -4.1855 -4.1855 0.0351 0.0351 0.9256 0.9256 1.7690 1.7690 5.2332 5.2332 8.3465 8.3465 11.8051 11.8051 13.2911 13.2911 k = 0.1667 0.1935 0.0000 ( 3358 PWs) bands (ev): -47.5306 -47.5306 -22.5654 -22.5654 -19.5855 -19.5855 -19.4200 -19.4200 -19.3827 -19.3827 -17.7820 -17.7820 -7.7477 -7.7477 -4.6287 -4.6287 -4.2753 -4.2753 -4.1795 -4.1795 0.0284 0.0284 0.9141 0.9141 1.7575 1.7575 5.2223 5.2223 8.3206 8.3206 11.8715 11.8715 13.3964 13.3964 k = 0.1579 0.1833 0.0000 ( 3350 PWs) bands (ev): -47.5306 -47.5306 -22.5667 -22.5667 -19.5850 -19.5850 -19.4194 -19.4194 -19.3829 -19.3829 -17.7803 -17.7803 -7.7380 -7.7380 -4.6353 -4.6353 -4.2768 -4.2768 -4.1737 -4.1737 0.0219 0.0219 0.9030 0.9030 1.7461 1.7461 5.2119 5.2119 8.2964 8.2964 11.9385 11.9385 13.5022 13.5022 k = 0.1491 0.1732 0.0000 ( 3349 PWs) bands (ev): -47.5306 -47.5306 -22.5680 -22.5680 -19.5846 -19.5846 -19.4189 -19.4189 -19.3832 -19.3832 -17.7786 -17.7786 -7.7285 -7.7285 -4.6417 -4.6417 -4.2782 -4.2782 -4.1680 -4.1680 0.0156 0.0156 0.8923 0.8923 1.7348 1.7348 5.2017 5.2017 8.2739 8.2739 12.0058 12.0058 13.6082 13.6082 k = 0.1404 0.1630 0.0000 ( 3353 PWs) bands (ev): -47.5306 -47.5306 -22.5691 -22.5691 -19.5843 -19.5843 -19.4184 -19.4184 -19.3835 -19.3835 -17.7770 -17.7770 -7.7192 -7.7192 -4.6479 -4.6479 -4.2797 -4.2797 -4.1626 -4.1626 0.0096 0.0096 0.8821 0.8821 1.7236 1.7236 5.1920 5.1920 8.2531 8.2531 12.0733 12.0733 13.7138 13.7138 k = 0.1316 0.1528 0.0000 ( 3353 PWs) bands (ev): -47.5306 -47.5306 -22.5702 -22.5702 -19.5840 -19.5840 -19.4180 -19.4180 -19.3838 -19.3838 -17.7755 -17.7755 -7.7102 -7.7102 -4.6538 -4.6538 -4.2811 -4.2811 -4.1573 -4.1573 0.0039 0.0039 0.8724 0.8724 1.7126 1.7126 5.1827 5.1827 8.2338 8.2338 12.1407 12.1407 13.8188 13.8188 k = 0.1228 0.1426 0.0000 ( 3351 PWs) bands (ev): -47.5306 -47.5306 -22.5712 -22.5712 -19.5837 -19.5837 -19.4176 -19.4176 -19.3841 -19.3841 -17.7740 -17.7740 -7.7015 -7.7015 -4.6594 -4.6594 -4.2824 -4.2824 -4.1523 -4.1523 -0.0015 -0.0015 0.8631 0.8631 1.7019 1.7019 5.1738 5.1738 8.2161 8.2161 12.2077 12.2077 13.9225 13.9225 k = 0.1140 0.1324 0.0000 ( 3351 PWs) bands (ev): -47.5306 -47.5306 -22.5722 -22.5722 -19.5835 -19.5835 -19.4172 -19.4172 -19.3844 -19.3844 -17.7726 -17.7726 -7.6932 -7.6932 -4.6647 -4.6647 -4.2837 -4.2837 -4.1476 -4.1476 -0.0067 -0.0067 0.8544 0.8544 1.6916 1.6916 5.1654 5.1654 8.1999 8.1999 12.2739 12.2739 14.0241 14.0241 k = 0.1053 0.1222 0.0000 ( 3353 PWs) bands (ev): -47.5306 -47.5306 -22.5730 -22.5730 -19.5832 -19.5832 -19.4168 -19.4168 -19.3847 -19.3847 -17.7713 -17.7713 -7.6853 -7.6853 -4.6697 -4.6697 -4.2849 -4.2849 -4.1432 -4.1432 -0.0115 -0.0115 0.8463 0.8463 1.6817 1.6817 5.1576 5.1576 8.1852 8.1852 12.3391 12.3391 14.1226 14.1226 k = 0.0965 0.1120 0.0000 ( 3351 PWs) bands (ev): -47.5307 -47.5307 -22.5738 -22.5738 -19.5830 -19.5830 -19.4165 -19.4165 -19.3850 -19.3850 -17.7701 -17.7701 -7.6779 -7.6779 -4.6743 -4.6743 -4.2861 -4.2861 -4.1390 -4.1390 -0.0160 -0.0160 0.8387 0.8387 1.6724 1.6724 5.1503 5.1503 8.1719 8.1719 12.4027 12.4027 14.2168 14.2168 k = 0.0877 0.1019 0.0000 ( 3345 PWs) bands (ev): -47.5307 -47.5307 -22.5745 -22.5745 -19.5828 -19.5828 -19.4162 -19.4162 -19.3853 -19.3853 -17.7690 -17.7690 -7.6709 -7.6709 -4.6786 -4.6786 -4.2872 -4.2872 -4.1352 -4.1352 -0.0201 -0.0201 0.8317 0.8317 1.6636 1.6636 5.1435 5.1435 8.1599 8.1599 12.4644 12.4644 14.2582 14.2582 k = 0.0789 0.0917 0.0000 ( 3353 PWs) bands (ev): -47.5307 -47.5307 -22.5752 -22.5752 -19.5827 -19.5827 -19.4159 -19.4159 -19.3856 -19.3856 -17.7679 -17.7679 -7.6644 -7.6644 -4.6825 -4.6825 -4.2882 -4.2882 -4.1317 -4.1317 -0.0240 -0.0240 0.8254 0.8254 1.6554 1.6554 5.1374 5.1374 8.1492 8.1492 12.5235 12.5235 14.2476 14.2476 k = 0.0702 0.0815 0.0000 ( 3345 PWs) bands (ev): -47.5307 -47.5307 -22.5758 -22.5758 -19.5826 -19.5826 -19.4157 -19.4157 -19.3858 -19.3858 -17.7670 -17.7670 -7.6586 -7.6586 -4.6860 -4.6860 -4.2891 -4.2891 -4.1285 -4.1285 -0.0273 -0.0273 0.8196 0.8196 1.6479 1.6479 5.1318 5.1318 8.1398 8.1398 12.5796 12.5796 14.2352 14.2352 k = 0.0614 0.0713 0.0000 ( 3339 PWs) bands (ev): -47.5307 -47.5307 -22.5763 -22.5763 -19.5824 -19.5824 -19.4154 -19.4154 -19.3860 -19.3860 -17.7661 -17.7661 -7.6533 -7.6533 -4.6892 -4.6892 -4.2899 -4.2899 -4.1257 -4.1257 -0.0303 -0.0303 0.8145 0.8145 1.6412 1.6412 5.1268 5.1268 8.1316 8.1316 12.6318 12.6318 14.2219 14.2219 k = 0.0526 0.0611 0.0000 ( 3339 PWs) bands (ev): -47.5307 -47.5307 -22.5767 -22.5767 -19.5824 -19.5824 -19.4152 -19.4152 -19.3862 -19.3862 -17.7654 -17.7654 -7.6487 -7.6487 -4.6919 -4.6919 -4.2906 -4.2906 -4.1232 -4.1232 -0.0330 -0.0330 0.8101 0.8101 1.6353 1.6353 5.1225 5.1225 8.1246 8.1246 12.6796 12.6796 14.2081 14.2081 k = 0.0439 0.0509 0.0000 ( 3339 PWs) bands (ev): -47.5307 -47.5307 -22.5771 -22.5771 -19.5823 -19.5823 -19.4151 -19.4151 -19.3864 -19.3864 -17.7648 -17.7648 -7.6447 -7.6447 -4.6943 -4.6943 -4.2912 -4.2912 -4.1211 -4.1211 -0.0352 -0.0352 0.8063 0.8063 1.6302 1.6302 5.1188 5.1188 8.1187 8.1187 12.7220 12.7220 14.1946 14.1946 k = 0.0351 0.0407 0.0000 ( 3335 PWs) bands (ev): -47.5307 -47.5307 -22.5774 -22.5774 -19.5822 -19.5822 -19.4150 -19.4150 -19.3865 -19.3865 -17.7642 -17.7642 -7.6414 -7.6414 -4.6962 -4.6962 -4.2917 -4.2917 -4.1194 -4.1194 -0.0371 -0.0371 0.8032 0.8032 1.6260 1.6260 5.1158 5.1158 8.1139 8.1139 12.7582 12.7582 14.1822 14.1822 k = 0.0263 0.0306 0.0000 ( 3335 PWs) bands (ev): -47.5307 -47.5307 -22.5776 -22.5776 -19.5822 -19.5822 -19.4148 -19.4148 -19.3867 -19.3867 -17.7638 -17.7638 -7.6389 -7.6389 -4.6977 -4.6977 -4.2922 -4.2922 -4.1180 -4.1180 -0.0385 -0.0385 0.8008 0.8008 1.6226 1.6226 5.1134 5.1134 8.1103 8.1103 12.7875 12.7875 14.1716 14.1716 k = 0.0175 0.0204 0.0000 ( 3339 PWs) bands (ev): -47.5307 -47.5307 -22.5778 -22.5778 -19.5822 -19.5822 -19.4148 -19.4148 -19.3868 -19.3868 -17.7635 -17.7635 -7.6370 -7.6370 -4.6988 -4.6988 -4.2924 -4.2924 -4.1171 -4.1171 -0.0395 -0.0395 0.7991 0.7991 1.6202 1.6202 5.1117 5.1117 8.1076 8.1076 12.8090 12.8090 14.1634 14.1634 k = 0.0088 0.0102 0.0000 ( 3335 PWs) bands (ev): -47.5307 -47.5307 -22.5779 -22.5779 -19.5821 -19.5821 -19.4148 -19.4148 -19.3868 -19.3868 -17.7633 -17.7633 -7.6359 -7.6359 -4.6994 -4.6994 -4.2926 -4.2926 -4.1165 -4.1165 -0.0402 -0.0402 0.7981 0.7981 1.6188 1.6188 5.1107 5.1107 8.1061 8.1061 12.8222 12.8222 14.1583 14.1583 k = 0.0000 0.0000 0.0000 ( 3345 PWs) bands (ev): -47.5307 -47.5307 -22.5779 -22.5779 -19.5822 -19.5822 -19.4148 -19.4148 -19.3869 -19.3869 -17.7633 -17.7633 -7.6356 -7.6356 -4.6996 -4.6996 -4.2927 -4.2927 -4.1164 -4.1164 -0.0404 -0.0404 0.7977 0.7977 1.6183 1.6183 5.1104 5.1104 8.1056 8.1056 12.8266 12.8266 14.1565 14.1565 k = 0.0000 0.0000 0.0000 ( 3345 PWs) bands (ev): -47.5307 -47.5307 -22.5779 -22.5779 -19.5822 -19.5822 -19.4148 -19.4148 -19.3869 -19.3869 -17.7633 -17.7633 -7.6356 -7.6356 -4.6996 -4.6996 -4.2927 -4.2927 -4.1164 -4.1164 -0.0404 -0.0404 0.7977 0.7977 1.6183 1.6183 5.1104 5.1104 8.1056 8.1056 12.8266 12.8266 14.1565 14.1565 k = 0.0085-0.0073 0.0074 ( 3341 PWs) bands (ev): -47.5307 -47.5307 -22.5779 -22.5779 -19.5822 -19.5821 -19.4148 -19.4147 -19.3869 -19.3869 -17.7636 -17.7635 -7.6352 -7.6351 -4.7026 -4.7017 -4.2906 -4.2896 -4.1165 -4.1165 -0.0402 -0.0402 0.7959 0.7965 1.6187 1.6195 5.1108 5.1108 8.1071 8.1073 12.8274 12.8280 14.1430 14.1432 k = 0.0170-0.0146 0.0149 ( 3333 PWs) bands (ev): -47.5307 -47.5307 -22.5778 -22.5777 -19.5820 -19.5819 -19.4146 -19.4144 -19.3869 -19.3869 -17.7643 -17.7642 -7.6339 -7.6339 -4.7102 -4.7084 -4.2838 -4.2818 -4.1171 -4.1170 -0.0397 -0.0397 0.7913 0.7923 1.6208 1.6224 5.1121 5.1121 8.1118 8.1122 12.8303 12.8315 14.1062 14.1067 k = 0.0255-0.0219 0.0223 ( 3337 PWs) bands (ev): -47.5307 -47.5307 -22.5776 -22.5775 -19.5819 -19.5817 -19.4144 -19.4141 -19.3869 -19.3869 -17.7655 -17.7653 -7.6319 -7.6319 -4.7219 -4.7195 -4.2726 -4.2698 -4.1180 -4.1180 -0.0389 -0.0389 0.7837 0.7852 1.6245 1.6269 5.1142 5.1142 8.1197 8.1204 12.8351 12.8369 14.0538 14.0545 k = 0.0340-0.0293 0.0297 ( 3339 PWs) bands (ev): -47.5307 -47.5307 -22.5773 -22.5773 -19.5817 -19.5814 -19.4141 -19.4137 -19.3870 -19.3869 -17.7671 -17.7669 -7.6292 -7.6291 -4.7369 -4.7339 -4.2579 -4.2544 -4.1193 -4.1193 -0.0377 -0.0377 0.7734 0.7753 1.6297 1.6329 5.1172 5.1172 8.1308 8.1317 12.8415 12.8439 13.9920 13.9930 k = 0.0425-0.0366 0.0372 ( 3347 PWs) bands (ev): -47.5307 -47.5307 -22.5770 -22.5769 -19.5814 -19.5811 -19.4138 -19.4133 -19.3871 -19.3870 -17.7692 -17.7689 -7.6257 -7.6256 -4.7545 -4.7511 -4.2404 -4.2363 -4.1210 -4.1209 -0.0362 -0.0362 0.7605 0.7629 1.6364 1.6403 5.1210 5.1210 8.1449 8.1460 12.8489 12.8520 13.9252 13.9265 k = 0.0510-0.0439 0.0446 ( 3343 PWs) bands (ev): -47.5307 -47.5307 -22.5765 -22.5765 -19.5810 -19.5807 -19.4132 -19.4127 -19.3871 -19.3871 -17.7717 -17.7713 -7.6216 -7.6215 -4.7738 -4.7700 -4.2209 -4.2164 -4.1230 -4.1229 -0.0343 -0.0343 0.7455 0.7482 1.6445 1.6490 5.1256 5.1256 8.1620 8.1633 12.8566 12.8605 13.8559 13.8576 k = 0.0595-0.0512 0.0520 ( 3343 PWs) bands (ev): -47.5307 -47.5307 -22.5760 -22.5760 -19.5805 -19.5803 -19.4126 -19.4121 -19.3872 -19.3872 -17.7746 -17.7742 -7.6169 -7.6168 -4.7943 -4.7903 -4.2001 -4.1952 -4.1253 -4.1252 -0.0321 -0.0321 0.7284 0.7315 1.6537 1.6589 5.1310 5.1311 8.1820 8.1834 12.8638 12.8685 13.7859 13.7881 k = 0.0680-0.0585 0.0594 ( 3359 PWs) bands (ev): -47.5307 -47.5307 -22.5755 -22.5754 -19.5801 -19.5799 -19.4120 -19.4115 -19.3874 -19.3873 -17.7778 -17.7774 -7.6117 -7.6116 -4.8154 -4.8112 -4.1787 -4.1734 -4.1279 -4.1277 -0.0297 -0.0297 0.7095 0.7129 1.6641 1.6698 5.1372 5.1372 8.2046 8.2063 12.8693 12.8748 13.7166 13.7192 k = 0.0764-0.0658 0.0669 ( 3359 PWs) bands (ev): -47.5307 -47.5307 -22.5748 -22.5748 -19.5795 -19.5795 -19.4112 -19.4107 -19.3875 -19.3874 -17.7814 -17.7810 -7.6062 -7.6060 -4.8366 -4.8322 -4.1572 -4.1516 -4.1304 -4.1302 -0.0268 -0.0268 0.6894 0.6930 1.6754 1.6817 5.1441 5.1441 8.2298 8.2317 12.8717 12.8780 13.6490 13.6520 k = 0.0849-0.0732 0.0743 ( 3357 PWs) bands (ev): -47.5307 -47.5307 -22.5741 -22.5740 -19.5790 -19.5789 -19.4103 -19.4099 -19.3876 -19.3876 -17.7853 -17.7848 -7.6003 -7.6002 -4.8575 -4.8530 -4.1402 -4.1372 -4.1284 -4.1259 -0.0237 -0.0237 0.6681 0.6719 1.6877 1.6944 5.1517 5.1518 8.2575 8.2595 12.8694 12.8765 13.5838 13.5873 k = 0.0934-0.0805 0.0817 ( 3361 PWs) bands (ev): -47.5307 -47.5307 -22.5733 -22.5732 -19.5785 -19.5782 -19.4094 -19.4092 -19.3878 -19.3877 -17.7894 -17.7889 -7.5944 -7.5942 -4.8778 -4.8733 -4.1399 -4.1393 -4.1106 -4.1056 -0.0202 -0.0202 0.6461 0.6501 1.7007 1.7078 5.1600 5.1601 8.2874 8.2896 12.8608 12.8686 13.5218 13.5255 k = 0.1019-0.0878 0.0892 ( 3363 PWs) bands (ev): -47.5307 -47.5307 -22.5724 -22.5723 -19.5781 -19.5776 -19.4084 -19.4084 -19.3879 -19.3879 -17.7938 -17.7933 -7.5884 -7.5883 -4.8973 -4.8928 -4.1433 -4.1430 -4.0899 -4.0844 -0.0165 -0.0164 0.6236 0.6277 1.7143 1.7219 5.1689 5.1690 8.3194 8.3217 12.8442 12.8526 13.4629 13.4667 k = 0.1104-0.0951 0.0966 ( 3361 PWs) bands (ev): -47.5307 -47.5307 -22.5715 -22.5714 -19.5776 -19.5768 -19.4075 -19.4073 -19.3881 -19.3880 -17.7984 -17.7979 -7.5825 -7.5824 -4.9157 -4.9112 -4.1474 -4.1472 -4.0695 -4.0638 -0.0124 -0.0123 0.6010 0.6053 1.7286 1.7365 5.1785 5.1785 8.3533 8.3557 12.8186 12.8273 13.4068 13.4104 k = 0.1189-0.1024 0.1040 ( 3361 PWs) bands (ev): -47.5306 -47.5306 -22.5705 -22.5704 -19.5773 -19.5761 -19.4067 -19.4062 -19.3882 -19.3882 -17.8031 -17.8026 -7.5768 -7.5767 -4.9328 -4.9282 -4.1519 -4.1517 -4.0500 -4.0441 -0.0080 -0.0079 0.5785 0.5829 1.7433 1.7515 5.1885 5.1885 8.3889 8.3915 12.7838 12.7925 13.3522 13.3554 k = 0.1274-0.1097 0.1115 ( 3365 PWs) bands (ev): -47.5306 -47.5306 -22.5694 -22.5693 -19.5769 -19.5754 -19.4060 -19.4051 -19.3884 -19.3883 -17.8079 -17.8074 -7.5716 -7.5715 -4.9484 -4.9438 -4.1567 -4.1566 -4.0316 -4.0256 -0.0033 -0.0033 0.5566 0.5610 1.7584 1.7669 5.1990 5.1990 8.4261 8.4289 12.7400 12.7485 13.2976 13.3001 k = 0.1359-0.1170 0.1189 ( 3365 PWs) bands (ev): -47.5306 -47.5306 -22.5683 -22.5681 -19.5766 -19.5747 -19.4052 -19.4040 -19.3886 -19.3884 -17.8128 -17.8123 -7.5669 -7.5668 -4.9623 -4.9578 -4.1618 -4.1616 -4.0143 -4.0083 0.0016 0.0017 0.5354 0.5400 1.7738 1.7826 5.2100 5.2100 8.4648 8.4676 12.6882 12.6963 13.2414 13.2432 k = 0.1444-0.1244 0.1263 ( 3361 PWs) bands (ev): -47.5306 -47.5306 -22.5670 -22.5669 -19.5764 -19.5739 -19.4046 -19.4030 -19.3888 -19.3885 -17.8176 -17.8172 -7.5628 -7.5627 -4.9744 -4.9699 -4.1670 -4.1669 -3.9985 -3.9924 0.0069 0.0069 0.5153 0.5200 1.7896 1.7986 5.2214 5.2214 8.5047 8.5076 12.6297 12.6373 13.1824 13.1835 k = 0.1529-0.1317 0.1338 ( 3353 PWs) bands (ev): -47.5306 -47.5306 -22.5657 -22.5656 -19.5762 -19.5732 -19.4040 -19.4019 -19.3889 -19.3886 -17.8225 -17.8221 -7.5595 -7.5595 -4.9845 -4.9800 -4.1725 -4.1724 -3.9840 -3.9779 0.0123 0.0124 0.4965 0.5013 1.8055 1.8148 5.2332 5.2332 8.5457 8.5487 12.5658 12.5728 13.1202 13.1206 k = 0.1614-0.1390 0.1412 ( 3351 PWs) bands (ev): -47.5306 -47.5306 -22.5644 -22.5642 -19.5760 -19.5726 -19.4035 -19.4010 -19.3891 -19.3886 -17.8273 -17.8269 -7.5572 -7.5572 -4.9925 -4.9881 -4.1782 -4.1781 -3.9712 -3.9650 0.0181 0.0181 0.4794 0.4842 1.8216 1.8311 5.2453 5.2453 8.5876 8.5906 12.4976 12.5040 13.0549 13.0551 k = 0.1699-0.1463 0.1486 ( 3343 PWs) bands (ev): -47.5306 -47.5306 -22.5630 -22.5628 -19.5760 -19.5719 -19.4031 -19.4001 -19.3892 -19.3886 -17.8319 -17.8316 -7.5559 -7.5559 -4.9984 -4.9940 -4.1840 -4.1839 -3.9600 -3.9538 0.0240 0.0241 0.4641 0.4690 1.8377 1.8474 5.2576 5.2576 8.6303 8.6334 12.4260 12.4318 12.9870 12.9877 k = 0.1784-0.1536 0.1561 ( 3351 PWs) bands (ev): -47.5306 -47.5306 -22.5615 -22.5613 -19.5761 -19.5714 -19.4030 -19.3994 -19.3894 -19.3887 -17.8365 -17.8362 -7.5557 -7.5557 -5.0020 -4.9977 -4.1900 -4.1899 -3.9505 -3.9443 0.0302 0.0303 0.4508 0.4558 1.8538 1.8636 5.2700 5.2701 8.6737 8.6769 12.3516 12.3568 12.9175 12.9187 k = 0.1869-0.1609 0.1635 ( 3359 PWs) bands (ev): -47.5306 -47.5306 -22.5600 -22.5598 -19.5763 -19.5709 -19.4030 -19.3989 -19.3896 -19.3887 -17.8408 -17.8406 -7.5568 -7.5567 -5.0034 -4.9991 -4.1961 -4.1960 -3.9428 -3.9366 0.0366 0.0366 0.4397 0.4448 1.8698 1.8798 5.2827 5.2827 8.7176 8.7208 12.2751 12.2798 12.8474 12.8490 k = 0.1954-0.1683 0.1709 ( 3353 PWs) bands (ev): -47.5305 -47.5305 -22.5584 -22.5582 -19.5765 -19.5705 -19.4031 -19.3985 -19.3897 -19.3886 -17.8449 -17.8447 -7.5591 -7.5590 -5.0025 -4.9982 -4.2023 -4.2023 -3.9368 -3.9306 0.0432 0.0433 0.4312 0.4363 1.8857 1.8958 5.2955 5.2955 8.7620 8.7652 12.1969 12.2011 12.7774 12.7792 k = 0.2039-0.1756 0.1783 ( 3347 PWs) bands (ev): -47.5305 -47.5305 -22.5568 -22.5566 -19.5768 -19.5701 -19.4034 -19.3982 -19.3897 -19.3884 -17.8487 -17.8486 -7.5627 -7.5626 -4.9993 -4.9950 -4.2086 -4.2086 -3.9326 -3.9265 0.0500 0.0501 0.4252 0.4304 1.9013 1.9117 5.3083 5.3083 8.8068 8.8100 12.1174 12.1212 12.7080 12.7101 k = 0.2124-0.1829 0.1858 ( 3351 PWs) bands (ev): -47.5305 -47.5305 -22.5551 -22.5549 -19.5773 -19.5698 -19.4040 -19.3981 -19.3898 -19.3883 -17.8522 -17.8522 -7.5677 -7.5676 -4.9937 -4.9896 -4.2150 -4.2150 -3.9303 -3.9241 0.0570 0.0570 0.4218 0.4271 1.9167 1.9272 5.3211 5.3211 8.8518 8.8550 12.0368 12.0403 12.6398 12.6422 k = 0.2208-0.1902 0.1932 ( 3351 PWs) bands (ev): -47.5305 -47.5305 -22.5534 -22.5532 -19.5778 -19.5696 -19.4047 -19.3982 -19.3899 -19.3882 -17.8554 -17.8553 -7.5740 -7.5739 -4.9860 -4.9819 -4.2215 -4.2215 -3.9296 -3.9235 0.0641 0.0641 0.4213 0.4267 1.9317 1.9423 5.3339 5.3339 8.8970 8.9002 11.9555 11.9587 12.5732 12.5757 k = 0.2293-0.1975 0.2006 ( 3347 PWs) bands (ev): -47.5305 -47.5305 -22.5517 -22.5514 -19.5784 -19.5695 -19.4055 -19.3985 -19.3899 -19.3881 -17.8584 -17.8582 -7.5817 -7.5815 -4.9762 -4.9721 -4.2280 -4.2279 -3.9307 -3.9246 0.0713 0.0714 0.4237 0.4292 1.9463 1.9571 5.3466 5.3466 8.9423 8.9454 11.8738 11.8766 12.5084 12.5111 k = 0.2378-0.2048 0.2081 ( 3347 PWs) bands (ev): -47.5305 -47.5305 -22.5499 -22.5496 -19.5791 -19.5695 -19.4066 -19.3989 -19.3899 -19.3880 -17.8609 -17.8607 -7.5907 -7.5904 -4.9642 -4.9603 -4.2345 -4.2344 -3.9334 -3.9274 0.0787 0.0787 0.4290 0.4346 1.9604 1.9713 5.3591 5.3591 8.9877 8.9908 11.7918 11.7944 12.4458 12.4486 k = 0.2463-0.2121 0.2155 ( 3351 PWs) bands (ev): -47.5305 -47.5305 -22.5481 -22.5478 -19.5799 -19.5696 -19.4079 -19.3994 -19.3900 -19.3880 -17.8631 -17.8628 -7.6009 -7.6006 -4.9504 -4.9465 -4.2410 -4.2409 -3.9378 -3.9318 0.0861 0.0862 0.4373 0.4430 1.9739 1.9849 5.3714 5.3715 9.0331 9.0361 11.7099 11.7123 12.3853 12.3882 k = 0.2548-0.2195 0.2229 ( 3347 PWs) bands (ev): -47.5304 -47.5304 -22.5462 -22.5460 -19.5808 -19.5698 -19.4092 -19.4000 -19.3900 -19.3880 -17.8649 -17.8645 -7.6123 -7.6120 -4.9347 -4.9309 -4.2475 -4.2474 -3.9436 -3.9377 0.0937 0.0937 0.4485 0.4543 1.9868 1.9979 5.3836 5.3836 9.0785 9.0815 11.6282 11.6304 12.3271 12.3300 k = 0.2633-0.2268 0.2304 ( 3349 PWs) bands (ev): -47.5304 -47.5304 -22.5444 -22.5441 -19.5818 -19.5701 -19.4108 -19.4008 -19.3901 -19.3880 -17.8663 -17.8658 -7.6248 -7.6245 -4.9175 -4.9136 -4.2539 -4.2539 -3.9509 -3.9451 0.1012 0.1012 0.4626 0.4686 1.9990 2.0102 5.3955 5.3955 9.1239 9.1268 11.5470 11.5490 12.2713 12.2742 k = 0.2718-0.2341 0.2378 ( 3347 PWs) bands (ev): -47.5304 -47.5304 -22.5425 -22.5422 -19.5829 -19.5705 -19.4124 -19.4017 -19.3902 -19.3881 -17.8673 -17.8667 -7.6383 -7.6380 -4.8986 -4.8948 -4.2603 -4.2603 -3.9595 -3.9537 0.1088 0.1089 0.4795 0.4856 2.0104 2.0217 5.4071 5.4071 9.1693 9.1721 11.4665 11.4684 12.2179 12.2207 k = 0.2803-0.2414 0.2452 ( 3343 PWs) bands (ev): -47.5304 -47.5304 -22.5406 -22.5403 -19.5840 -19.5711 -19.4141 -19.4027 -19.3902 -19.3883 -17.8679 -17.8673 -7.6527 -7.6523 -4.8785 -4.8747 -4.2666 -4.2666 -3.9692 -3.9636 0.1165 0.1165 0.4993 0.5055 2.0210 2.0323 5.4184 5.4184 9.2147 9.2174 11.3868 11.3887 12.1668 12.1696 k = 0.2888-0.2487 0.2527 ( 3343 PWs) bands (ev): -47.5304 -47.5304 -22.5387 -22.5385 -19.5853 -19.5718 -19.4160 -19.4039 -19.3904 -19.3885 -17.8682 -17.8674 -7.6679 -7.6675 -4.8572 -4.8535 -4.2728 -4.2728 -3.9801 -3.9745 0.1241 0.1241 0.5217 0.5281 2.0306 2.0420 5.4293 5.4294 9.2601 9.2628 11.3083 11.3101 12.1180 12.1207 k = 0.2973-0.2560 0.2601 ( 3343 PWs) bands (ev): -47.5304 -47.5304 -22.5369 -22.5366 -19.5865 -19.5726 -19.4179 -19.4052 -19.3905 -19.3887 -17.8680 -17.8672 -7.6837 -7.6833 -4.8349 -4.8312 -4.2789 -4.2788 -3.9919 -3.9864 0.1316 0.1316 0.5467 0.5532 2.0392 2.0507 5.4399 5.4399 9.3056 9.3081 11.2310 11.2328 12.0715 12.0741 k = 0.3058-0.2634 0.2675 ( 3343 PWs) bands (ev): -47.5304 -47.5304 -22.5350 -22.5347 -19.5879 -19.5736 -19.4199 -19.4066 -19.3906 -19.3890 -17.8676 -17.8667 -7.7001 -7.6997 -4.8118 -4.8082 -4.2849 -4.2848 -4.0045 -3.9991 0.1391 0.1391 0.5741 0.5808 2.0467 2.0583 5.4501 5.4501 9.3511 9.3535 11.1552 11.1569 12.0272 12.0297 k = 0.3143-0.2707 0.2749 ( 3347 PWs) bands (ev): -47.5304 -47.5304 -22.5331 -22.5329 -19.5893 -19.5747 -19.4220 -19.4081 -19.3907 -19.3893 -17.8668 -17.8659 -7.7169 -7.7165 -4.7882 -4.7846 -4.2907 -4.2906 -4.0178 -4.0125 0.1465 0.1465 0.6037 0.6106 2.0531 2.0647 5.4598 5.4598 9.3968 9.3990 11.0811 11.0827 11.9851 11.9874 k = 0.3228-0.2780 0.2824 ( 3343 PWs) bands (ev): -47.5303 -47.5303 -22.5313 -22.5310 -19.5908 -19.5759 -19.4240 -19.4097 -19.3909 -19.3895 -17.8657 -17.8647 -7.7340 -7.7336 -4.7641 -4.7605 -4.2964 -4.2963 -4.0316 -4.0264 0.1539 0.1539 0.6355 0.6425 2.0584 2.0700 5.4691 5.4692 9.4426 9.4447 11.0087 11.0104 11.9451 11.9472 k = 0.3313-0.2853 0.2898 ( 3345 PWs) bands (ev): -47.5303 -47.5303 -22.5295 -22.5292 -19.5923 -19.5772 -19.4260 -19.4115 -19.3910 -19.3898 -17.8643 -17.8633 -7.7513 -7.7508 -4.7397 -4.7362 -4.3019 -4.3018 -4.0458 -4.0407 0.1610 0.1610 0.6691 0.6763 2.0624 2.0740 5.4780 5.4780 9.4887 9.4906 10.9384 10.9400 11.9071 11.9090 k = 0.3398-0.2926 0.2972 ( 3335 PWs) bands (ev): -47.5303 -47.5303 -22.5277 -22.5275 -19.5937 -19.5786 -19.4280 -19.4132 -19.3911 -19.3900 -17.8626 -17.8616 -7.7686 -7.7681 -4.7153 -4.7117 -4.3072 -4.3071 -4.0603 -4.0553 0.1680 0.1681 0.7045 0.7118 2.0651 2.0767 5.4865 5.4865 9.5350 9.5368 10.8702 10.8719 11.8710 11.8727 k = 0.3483-0.2999 0.3047 ( 3339 PWs) bands (ev): -47.5303 -47.5303 -22.5260 -22.5257 -19.5953 -19.5802 -19.4300 -19.4151 -19.3913 -19.3903 -17.8608 -17.8597 -7.7858 -7.7853 -4.6909 -4.6874 -4.3123 -4.3122 -4.0749 -4.0700 0.1749 0.1749 0.7414 0.7487 2.0665 2.0781 5.4944 5.4945 9.5817 9.5833 10.8044 10.8061 11.8367 11.8381 k = 0.3568-0.3072 0.3121 ( 3343 PWs) bands (ev): -47.5303 -47.5303 -22.5243 -22.5241 -19.5968 -19.5819 -19.4319 -19.4170 -19.3914 -19.3906 -17.8587 -17.8577 -7.8028 -7.8023 -4.6669 -4.6634 -4.3172 -4.3171 -4.0896 -4.0848 0.1815 0.1815 0.7794 0.7869 2.0666 2.0781 5.5019 5.5020 9.6287 9.6301 10.7411 10.7429 11.8041 11.8051 k = 0.3653-0.3146 0.3195 ( 3343 PWs) bands (ev): -47.5303 -47.5303 -22.5227 -22.5225 -19.5983 -19.5836 -19.4337 -19.4189 -19.3916 -19.3908 -17.8566 -17.8555 -7.8194 -7.8190 -4.6432 -4.6397 -4.3219 -4.3218 -4.1042 -4.0994 0.1879 0.1879 0.8185 0.8260 2.0653 2.0767 5.5090 5.5090 9.6761 9.6773 10.6806 10.6824 11.7729 11.7736 k = 0.3737-0.3219 0.3270 ( 3344 PWs) bands (ev): -47.5303 -47.5303 -22.5211 -22.5209 -19.5998 -19.5855 -19.4353 -19.4209 -19.3917 -19.3911 -17.8543 -17.8533 -7.8356 -7.8352 -4.6201 -4.6167 -4.3263 -4.3262 -4.1185 -4.1139 0.1940 0.1940 0.8582 0.8659 2.0627 2.0740 5.5155 5.5155 9.7239 9.7250 10.6231 10.6249 11.7429 11.7431 k = 0.3822-0.3292 0.3344 ( 3326 PWs) bands (ev): -47.5303 -47.5303 -22.5196 -22.5194 -19.6011 -19.5873 -19.4368 -19.4227 -19.3918 -19.3912 -17.8519 -17.8509 -7.8513 -7.8509 -4.5977 -4.5942 -4.3305 -4.3304 -4.1325 -4.1280 0.1999 0.1999 0.8985 0.9062 2.0587 2.0699 5.5216 5.5217 9.7721 9.7729 10.5688 10.5707 11.7135 11.7137 k = 0.3907-0.3365 0.3418 ( 3326 PWs) bands (ev): -47.5302 -47.5302 -22.5182 -22.5180 -19.6025 -19.5892 -19.4382 -19.4246 -19.3919 -19.3914 -17.8495 -17.8486 -7.8664 -7.8660 -4.5761 -4.5727 -4.3345 -4.3343 -4.1461 -4.1417 0.2054 0.2054 0.9389 0.9466 2.0535 2.0644 5.5273 5.5273 9.8206 9.8212 10.5181 10.5201 11.6839 11.6847 k = 0.3992-0.3438 0.3493 ( 3330 PWs) bands (ev): -47.5302 -47.5302 -22.5169 -22.5167 -19.6038 -19.5912 -19.4395 -19.4265 -19.3921 -19.3917 -17.8472 -17.8462 -7.8807 -7.8803 -4.5555 -4.5521 -4.3381 -4.3380 -4.1593 -4.1550 0.2106 0.2106 0.9790 0.9867 2.0471 2.0577 5.5325 5.5325 9.8692 9.8695 10.4713 10.4734 11.6535 11.6550 k = 0.4077-0.3511 0.3567 ( 3334 PWs) bands (ev): -47.5302 -47.5302 -22.5156 -22.5154 -19.6051 -19.5931 -19.4407 -19.4284 -19.3922 -19.3918 -17.8448 -17.8440 -7.8941 -7.8938 -4.5360 -4.5327 -4.3416 -4.3415 -4.1718 -4.1676 0.2155 0.2155 1.0187 1.0262 2.0395 2.0499 5.5371 5.5372 9.9174 9.9174 10.4290 10.4312 11.6205 11.6228 k = 0.4162-0.3585 0.3641 ( 3332 PWs) bands (ev): -47.5302 -47.5302 -22.5144 -22.5143 -19.6062 -19.5950 -19.4416 -19.4302 -19.3923 -19.3920 -17.8426 -17.8418 -7.9067 -7.9064 -4.5177 -4.5144 -4.3447 -4.3446 -4.1836 -4.1796 0.2200 0.2200 1.0574 1.0648 2.0310 2.0410 5.5414 5.5414 9.9644 9.9647 10.3920 10.3944 11.5824 11.5855 k = 0.4247-0.3658 0.3716 ( 3320 PWs) bands (ev): -47.5302 -47.5302 -22.5134 -22.5132 -19.6071 -19.5969 -19.4424 -19.4318 -19.3924 -19.3921 -17.8404 -17.8396 -7.9183 -7.9180 -4.5005 -4.4973 -4.3476 -4.3475 -4.1947 -4.1909 0.2242 0.2242 1.0950 1.1021 2.0217 2.0312 5.5452 5.5453 10.0090 10.0097 10.3617 10.3644 11.5357 11.5393 k = 0.4332-0.3731 0.3790 ( 3320 PWs) bands (ev): -47.5302 -47.5302 -22.5124 -22.5122 -19.6079 -19.5987 -19.4430 -19.4335 -19.3925 -19.3923 -17.8384 -17.8377 -7.9288 -7.9285 -4.4848 -4.4818 -4.3502 -4.3500 -4.2049 -4.2013 0.2279 0.2279 1.1307 1.1376 2.0119 2.0208 5.5486 5.5487 10.0491 10.0502 10.3403 10.3432 11.4779 11.4815 k = 0.4417-0.3804 0.3864 ( 3324 PWs) bands (ev): -47.5302 -47.5302 -22.5115 -22.5114 -19.6086 -19.6004 -19.4435 -19.4350 -19.3926 -19.3924 -17.8366 -17.8359 -7.9382 -7.9380 -4.4706 -4.4677 -4.3525 -4.3523 -4.2142 -4.2109 0.2313 0.2313 1.1642 1.1707 2.0018 2.0101 5.5516 5.5516 10.0812 10.0827 10.3311 10.3341 11.4103 11.4134 k = 0.4502-0.3877 0.3938 ( 3324 PWs) bands (ev): -47.5302 -47.5302 -22.5107 -22.5106 -19.6092 -19.6021 -19.4439 -19.4365 -19.3926 -19.3925 -17.8349 -17.8344 -7.9464 -7.9462 -4.4579 -4.4552 -4.3544 -4.3543 -4.2226 -4.2195 0.2342 0.2342 1.1950 1.2009 1.9919 1.9994 5.5541 5.5541 10.1020 10.1035 10.3373 10.3403 11.3372 11.3397 k = 0.4587-0.3950 0.4013 ( 3314 PWs) bands (ev): -47.5302 -47.5302 -22.5101 -22.5100 -19.6095 -19.6035 -19.4440 -19.4378 -19.3926 -19.3925 -17.8335 -17.8330 -7.9534 -7.9533 -4.4468 -4.4444 -4.3561 -4.3560 -4.2298 -4.2271 0.2367 0.2367 1.2225 1.2278 1.9825 1.9890 5.5563 5.5563 10.1108 10.1121 10.3588 10.3614 11.2637 11.2656 k = 0.4672-0.4023 0.4087 ( 3314 PWs) bands (ev): -47.5302 -47.5302 -22.5096 -22.5095 -19.6097 -19.6049 -19.4440 -19.4390 -19.3927 -19.3926 -17.8323 -17.8319 -7.9592 -7.9591 -4.4375 -4.4355 -4.3575 -4.3573 -4.2358 -4.2335 0.2387 0.2387 1.2461 1.2505 1.9741 1.9795 5.5580 5.5580 10.1114 10.1124 10.3904 10.3925 11.1941 11.1955 k = 0.4757-0.4097 0.4161 ( 3320 PWs) bands (ev): -47.5302 -47.5302 -22.5092 -22.5091 -19.6097 -19.6062 -19.4438 -19.4401 -19.3928 -19.3927 -17.8313 -17.8310 -7.9637 -7.9636 -4.4301 -4.4285 -4.3585 -4.3584 -4.2405 -4.2387 0.2403 0.2403 1.2653 1.2687 1.9671 1.9713 5.5593 5.5593 10.1082 10.1089 10.4252 10.4268 11.1324 11.1335 k = 0.4842-0.4170 0.4236 ( 3312 PWs) bands (ev): -47.5302 -47.5302 -22.5089 -22.5088 -19.6095 -19.6072 -19.4435 -19.4411 -19.3928 -19.3927 -17.8306 -17.8304 -7.9668 -7.9667 -4.4247 -4.4236 -4.3593 -4.3592 -4.2438 -4.2426 0.2414 0.2414 1.2794 1.2817 1.9622 1.9650 5.5602 5.5602 10.1044 10.1048 10.4567 10.4578 11.0832 11.0840 k = 0.4842-0.4170 0.4236 ( 3312 PWs) bands (ev): -47.5302 -47.5302 -22.5089 -22.5088 -19.6095 -19.6072 -19.4435 -19.4411 -19.3928 -19.3927 -17.8306 -17.8304 -7.9668 -7.9667 -4.4247 -4.4236 -4.3593 -4.3592 -4.2438 -4.2426 0.2414 0.2414 1.2794 1.2817 1.9622 1.9650 5.5602 5.5602 10.1044 10.1048 10.4567 10.4578 11.0832 11.0840 k = 0.4846-0.4047 0.4184 ( 3315 PWs) bands (ev): -47.5302 -47.5302 -22.5091 -22.5090 -19.6097 -19.6065 -19.4437 -19.4404 -19.3927 -19.3927 -17.8310 -17.8308 -7.9647 -7.9646 -4.4283 -4.4268 -4.3587 -4.3586 -4.2417 -4.2401 0.2406 0.2406 1.2700 1.2731 1.9653 1.9691 5.5595 5.5595 10.1040 10.1046 10.4364 10.4378 11.1166 11.1176 k = 0.4850-0.3924 0.4133 ( 3315 PWs) bands (ev): -47.5302 -47.5302 -22.5094 -22.5094 -19.6097 -19.6056 -19.4438 -19.4396 -19.3927 -19.3926 -17.8315 -17.8312 -7.9618 -7.9617 -4.4332 -4.4314 -4.3578 -4.3577 -4.2388 -4.2369 0.2393 0.2393 1.2579 1.2617 1.9694 1.9741 5.5582 5.5582 10.0981 10.0989 10.4144 10.4161 11.1591 11.1603 k = 0.4854-0.3801 0.4082 ( 3317 PWs) bands (ev): -47.5302 -47.5302 -22.5099 -22.5098 -19.6095 -19.6047 -19.4438 -19.4388 -19.3926 -19.3925 -17.8321 -17.8318 -7.9582 -7.9581 -4.4392 -4.4372 -4.3566 -4.3565 -4.2352 -4.2330 0.2376 0.2376 1.2431 1.2475 1.9742 1.9797 5.5564 5.5564 10.0874 10.0883 10.3915 10.3935 11.2095 11.2109 k = 0.4858-0.3678 0.4031 ( 3319 PWs) bands (ev): -47.5302 -47.5302 -22.5105 -22.5104 -19.6093 -19.6037 -19.4437 -19.4379 -19.3925 -19.3924 -17.8328 -17.8324 -7.9538 -7.9537 -4.4465 -4.4442 -4.3551 -4.3550 -4.2309 -4.2284 0.2354 0.2354 1.2259 1.2309 1.9795 1.9858 5.5540 5.5540 10.0724 10.0735 10.3683 10.3705 11.2669 11.2684 k = 0.4861-0.3555 0.3980 ( 3323 PWs) bands (ev): -47.5302 -47.5302 -22.5113 -22.5112 -19.6090 -19.6026 -19.4435 -19.4369 -19.3924 -19.3922 -17.8336 -17.8331 -7.9487 -7.9485 -4.4550 -4.4526 -4.3533 -4.3532 -4.2258 -4.2231 0.2329 0.2329 1.2067 1.2122 1.9852 1.9921 5.5512 5.5512 10.0542 10.0554 10.3450 10.3475 11.3306 11.3322 k = 0.4865-0.3432 0.3928 ( 3320 PWs) bands (ev): -47.5302 -47.5302 -22.5121 -22.5120 -19.6085 -19.6013 -19.4431 -19.4358 -19.3922 -19.3920 -17.8344 -17.8338 -7.9429 -7.9426 -4.4647 -4.4622 -4.3512 -4.3510 -4.2200 -4.2171 0.2299 0.2299 1.1857 1.1915 1.9911 1.9985 5.5479 5.5479 10.0336 10.0349 10.3218 10.3245 11.3999 11.4016 k = 0.4869-0.3309 0.3877 ( 3320 PWs) bands (ev): -47.5302 -47.5302 -22.5131 -22.5129 -19.6079 -19.6000 -19.4427 -19.4346 -19.3920 -19.3917 -17.8353 -17.8347 -7.9363 -7.9361 -4.4756 -4.4731 -4.3487 -4.3486 -4.2134 -4.2104 0.2266 0.2266 1.1630 1.1692 1.9969 2.0048 5.5442 5.5442 10.0113 10.0127 10.2988 10.3017 11.4741 11.4759 k = 0.4873-0.3186 0.3826 ( 3317 PWs) bands (ev): -47.5302 -47.5302 -22.5141 -22.5140 -19.6071 -19.5987 -19.4421 -19.4334 -19.3917 -19.3914 -17.8362 -17.8356 -7.9291 -7.9288 -4.4877 -4.4851 -4.3461 -4.3459 -4.2060 -4.2030 0.2229 0.2229 1.1391 1.1455 2.0025 2.0108 5.5400 5.5400 9.9880 9.9894 10.2763 10.2793 11.5527 11.5544 k = 0.4877-0.3063 0.3775 ( 3324 PWs) bands (ev): -47.5302 -47.5302 -22.5153 -22.5152 -19.6064 -19.5973 -19.4414 -19.4322 -19.3915 -19.3911 -17.8373 -17.8366 -7.9212 -7.9209 -4.5009 -4.4983 -4.3431 -4.3430 -4.1980 -4.1949 0.2188 0.2188 1.1140 1.1206 2.0078 2.0164 5.5354 5.5354 9.9640 9.9655 10.2545 10.2576 11.6348 11.6365 k = 0.4881-0.2940 0.3724 ( 3322 PWs) bands (ev): -47.5302 -47.5302 -22.5166 -22.5164 -19.6055 -19.5958 -19.4406 -19.4308 -19.3913 -19.3908 -17.8383 -17.8376 -7.9126 -7.9123 -4.5152 -4.5127 -4.3400 -4.3399 -4.1894 -4.1863 0.2144 0.2144 1.0881 1.0948 2.0128 2.0216 5.5305 5.5305 9.9398 9.9413 10.2336 10.2368 11.7197 11.7212 k = 0.4885-0.2817 0.3672 ( 3323 PWs) bands (ev): -47.5302 -47.5302 -22.5179 -22.5177 -19.6045 -19.5943 -19.4397 -19.4295 -19.3910 -19.3904 -17.8394 -17.8386 -7.9034 -7.9031 -4.5306 -4.5282 -4.3366 -4.3365 -4.1801 -4.1770 0.2097 0.2097 1.0615 1.0683 2.0172 2.0262 5.5252 5.5252 9.9154 9.9169 10.2139 10.2171 11.8064 11.8076 k = 0.4889-0.2694 0.3621 ( 3321 PWs) bands (ev): -47.5302 -47.5302 -22.5193 -22.5191 -19.6034 -19.5928 -19.4387 -19.4281 -19.3907 -19.3900 -17.8406 -17.8398 -7.8937 -7.8934 -4.5470 -4.5446 -4.3330 -4.3329 -4.1702 -4.1671 0.2047 0.2047 1.0344 1.0412 2.0210 2.0302 5.5197 5.5197 9.8910 9.8925 10.1957 10.1990 11.8937 11.8945 k = 0.4893-0.2571 0.3570 ( 3325 PWs) bands (ev): -47.5303 -47.5303 -22.5208 -22.5206 -19.6022 -19.5913 -19.4376 -19.4267 -19.3904 -19.3896 -17.8418 -17.8410 -7.8834 -7.8831 -4.5643 -4.5620 -4.3292 -4.3291 -4.1598 -4.1568 0.1995 0.1995 1.0070 1.0138 2.0241 2.0334 5.5138 5.5139 9.8668 9.8682 10.1792 10.1825 11.9805 11.9807 k = 0.4897-0.2448 0.3519 ( 3325 PWs) bands (ev): -47.5303 -47.5303 -22.5223 -22.5221 -19.6010 -19.5897 -19.4363 -19.4252 -19.3900 -19.3892 -17.8431 -17.8422 -7.8726 -7.8723 -4.5825 -4.5803 -4.3252 -4.3251 -4.1489 -4.1459 0.1940 0.1940 0.9794 0.9862 2.0267 2.0360 5.5078 5.5078 9.8426 9.8440 10.1645 10.1678 12.0651 12.0656 k = 0.4901-0.2325 0.3467 ( 3325 PWs) bands (ev): -47.5303 -47.5303 -22.5239 -22.5237 -19.5997 -19.5882 -19.4350 -19.4238 -19.3897 -19.3887 -17.8443 -17.8434 -7.8613 -7.8610 -4.6015 -4.5993 -4.3211 -4.3210 -4.1376 -4.1347 0.1883 0.1883 0.9519 0.9586 2.0286 2.0379 5.5016 5.5016 9.8187 9.8200 10.1519 10.1551 12.1471 12.1484 k = 0.4905-0.2202 0.3416 ( 3325 PWs) bands (ev): -47.5303 -47.5303 -22.5255 -22.5254 -19.5984 -19.5867 -19.4336 -19.4223 -19.3893 -19.3882 -17.8456 -17.8447 -7.8497 -7.8493 -4.6211 -4.6191 -4.3169 -4.3168 -4.1260 -4.1232 0.1825 0.1825 0.9245 0.9311 2.0298 2.0390 5.4952 5.4952 9.7950 9.7961 10.1414 10.1445 12.2264 12.2284 k = 0.4909-0.2079 0.3365 ( 3329 PWs) bands (ev): -47.5303 -47.5303 -22.5272 -22.5270 -19.5971 -19.5852 -19.4321 -19.4208 -19.3890 -19.3877 -17.8470 -17.8460 -7.8376 -7.8372 -4.6413 -4.6394 -4.3126 -4.3125 -4.1140 -4.1113 0.1765 0.1765 0.8973 0.9038 2.0304 2.0395 5.4887 5.4887 9.7715 9.7726 10.1329 10.1359 12.3032 12.3059 k = 0.4913-0.1956 0.3314 ( 3330 PWs) bands (ev): -47.5303 -47.5303 -22.5289 -22.5287 -19.5957 -19.5837 -19.4306 -19.4194 -19.3886 -19.3872 -17.8483 -17.8473 -7.8252 -7.8249 -4.6620 -4.6602 -4.3082 -4.3081 -4.1019 -4.0993 0.1704 0.1705 0.8706 0.8770 2.0303 2.0393 5.4822 5.4822 9.7484 9.7493 10.1265 10.1294 12.3778 12.3811 k = 0.4917-0.1833 0.3263 ( 3326 PWs) bands (ev): -47.5303 -47.5303 -22.5306 -22.5304 -19.5942 -19.5823 -19.4289 -19.4179 -19.3882 -19.3866 -17.8496 -17.8487 -7.8126 -7.8122 -4.6830 -4.6814 -4.3037 -4.3037 -4.0896 -4.0871 0.1643 0.1643 0.8444 0.8506 2.0297 2.0385 5.4756 5.4756 9.7257 9.7265 10.1220 10.1248 12.4506 12.4544 k = 0.4921-0.1710 0.3211 ( 3331 PWs) bands (ev): -47.5303 -47.5303 -22.5323 -22.5321 -19.5928 -19.5809 -19.4273 -19.4165 -19.3879 -19.3861 -17.8509 -17.8500 -7.7998 -7.7994 -4.7044 -4.7028 -4.2993 -4.2992 -4.0772 -4.0748 0.1581 0.1581 0.8188 0.8248 2.0285 2.0371 5.4690 5.4690 9.7034 9.7041 10.1194 10.1220 12.5218 12.5260 k = 0.4925-0.1587 0.3160 ( 3333 PWs) bands (ev): -47.5303 -47.5303 -22.5340 -22.5338 -19.5913 -19.5796 -19.4256 -19.4151 -19.3876 -19.3856 -17.8523 -17.8513 -7.7868 -7.7864 -4.7258 -4.7244 -4.2948 -4.2948 -4.0648 -4.0625 0.1519 0.1519 0.7939 0.7997 2.0268 2.0352 5.4625 5.4625 9.6818 9.6823 10.1185 10.1209 12.5916 12.5960 k = 0.4929-0.1464 0.3109 ( 3331 PWs) bands (ev): -47.5303 -47.5303 -22.5356 -22.5354 -19.5898 -19.5784 -19.4238 -19.4137 -19.3872 -19.3850 -17.8535 -17.8526 -7.7738 -7.7734 -4.7473 -4.7460 -4.2903 -4.2903 -4.0525 -4.0503 0.1458 0.1458 0.7699 0.7754 2.0247 2.0328 5.4561 5.4561 9.6608 9.6612 10.1191 10.1214 12.6600 12.6647 k = 0.4933-0.1341 0.3058 ( 3331 PWs) bands (ev): -47.5303 -47.5303 -22.5373 -22.5371 -19.5884 -19.5772 -19.4220 -19.4124 -19.3868 -19.3845 -17.8548 -17.8539 -7.7608 -7.7604 -4.7687 -4.7674 -4.2860 -4.2859 -4.0404 -4.0383 0.1397 0.1397 0.7467 0.7520 2.0222 2.0300 5.4498 5.4498 9.6405 9.6409 10.1211 10.1233 12.7270 12.7318 k = 0.4937-0.1218 0.3007 ( 3339 PWs) bands (ev): -47.5304 -47.5304 -22.5389 -22.5387 -19.5870 -19.5761 -19.4202 -19.4111 -19.3865 -19.3840 -17.8561 -17.8552 -7.7478 -7.7475 -4.7899 -4.7887 -4.2817 -4.2817 -4.0284 -4.0264 0.1337 0.1338 0.7244 0.7295 2.0193 2.0269 5.4436 5.4437 9.6211 9.6213 10.1244 10.1264 12.7926 12.7974 k = 0.4941-0.1095 0.2955 ( 3339 PWs) bands (ev): -47.5304 -47.5304 -22.5404 -22.5403 -19.5855 -19.5751 -19.4184 -19.4099 -19.3862 -19.3836 -17.8573 -17.8564 -7.7351 -7.7347 -4.8107 -4.8096 -4.2775 -4.2775 -4.0167 -4.0148 0.1279 0.1279 0.7032 0.7081 2.0163 2.0235 5.4377 5.4377 9.6025 9.6027 10.1286 10.1305 12.8566 12.8614 k = 0.4945-0.0972 0.2904 ( 3336 PWs) bands (ev): -47.5304 -47.5304 -22.5419 -22.5418 -19.5841 -19.5741 -19.4167 -19.4087 -19.3858 -19.3831 -17.8584 -17.8576 -7.7226 -7.7222 -4.8309 -4.8299 -4.2734 -4.2734 -4.0054 -4.0036 0.1223 0.1223 0.6831 0.6877 2.0130 2.0199 5.4320 5.4320 9.5849 9.5849 10.1337 10.1354 12.9189 12.9237 k = 0.4949-0.0849 0.2853 ( 3334 PWs) bands (ev): -47.5304 -47.5304 -22.5434 -22.5432 -19.5828 -19.5732 -19.4149 -19.4076 -19.3854 -19.3826 -17.8595 -17.8587 -7.7104 -7.7101 -4.8506 -4.8497 -4.2695 -4.2695 -3.9945 -3.9928 0.1169 0.1169 0.6641 0.6684 2.0097 2.0162 5.4265 5.4266 9.5682 9.5683 10.1394 10.1410 12.9792 12.9839 k = 0.4953-0.0726 0.2802 ( 3328 PWs) bands (ev): -47.5304 -47.5304 -22.5447 -22.5446 -19.5814 -19.5724 -19.4132 -19.4065 -19.3851 -19.3822 -17.8606 -17.8598 -7.6986 -7.6983 -4.8694 -4.8686 -4.2658 -4.2658 -3.9841 -3.9825 0.1117 0.1117 0.6464 0.6504 2.0064 2.0124 5.4214 5.4214 9.5526 9.5527 10.1456 10.1471 13.0374 13.0420 k = 0.4956-0.0603 0.2750 ( 3332 PWs) bands (ev): -47.5304 -47.5304 -22.5460 -22.5459 -19.5802 -19.5718 -19.4116 -19.4055 -19.3848 -19.3819 -17.8616 -17.8609 -7.6874 -7.6871 -4.8874 -4.8866 -4.2623 -4.2623 -3.9742 -3.9728 0.1068 0.1068 0.6299 0.6336 2.0030 2.0086 5.4165 5.4165 9.5381 9.5382 10.1521 10.1535 13.0932 13.0976 k = 0.4960-0.0480 0.2699 ( 3334 PWs) bands (ev): -47.5304 -47.5304 -22.5472 -22.5471 -19.5789 -19.5712 -19.4100 -19.4046 -19.3845 -19.3816 -17.8625 -17.8618 -7.6768 -7.6765 -4.9043 -4.9036 -4.2590 -4.2590 -3.9650 -3.9637 0.1022 0.1023 0.6147 0.6181 1.9997 2.0049 5.4119 5.4120 9.5247 9.5248 10.1587 10.1599 13.1463 13.1505 k = 0.4964-0.0357 0.2648 ( 3334 PWs) bands (ev): -47.5304 -47.5304 -22.5483 -22.5482 -19.5778 -19.5707 -19.4085 -19.4038 -19.3842 -19.3814 -17.8633 -17.8627 -7.6669 -7.6666 -4.9201 -4.9195 -4.2559 -4.2559 -3.9565 -3.9553 0.0980 0.0980 0.6008 0.6039 1.9966 2.0013 5.4078 5.4078 9.5125 9.5127 10.1653 10.1663 13.1964 13.2003 k = 0.4968-0.0234 0.2597 ( 3336 PWs) bands (ev): -47.5304 -47.5304 -22.5493 -22.5492 -19.5767 -19.5703 -19.4072 -19.4031 -19.3839 -19.3812 -17.8641 -17.8636 -7.6577 -7.6575 -4.9345 -4.9340 -4.2532 -4.2531 -3.9486 -3.9476 0.0942 0.0942 0.5883 0.5911 1.9936 1.9978 5.4040 5.4040 9.5016 9.5017 10.1716 10.1725 13.2430 13.2466 k = 0.4972-0.0111 0.2546 ( 3342 PWs) bands (ev): -47.5304 -47.5304 -22.5502 -22.5501 -19.5757 -19.5701 -19.4059 -19.4024 -19.3836 -19.3811 -17.8648 -17.8643 -7.6494 -7.6492 -4.9476 -4.9472 -4.2507 -4.2507 -3.9416 -3.9407 0.0907 0.0907 0.5773 0.5797 1.9909 1.9946 5.4006 5.4006 9.4918 9.4919 10.1775 10.1783 13.2858 13.2891 k = 0.4976 0.0012 0.2494 ( 3338 PWs) bands (ev): -47.5304 -47.5304 -22.5510 -22.5509 -19.5747 -19.5698 -19.4047 -19.4018 -19.3833 -19.3810 -17.8654 -17.8650 -7.6421 -7.6419 -4.9591 -4.9588 -4.2485 -4.2484 -3.9354 -3.9347 0.0877 0.0877 0.5676 0.5697 1.9885 1.9918 5.3977 5.3977 9.4833 9.4835 10.1830 10.1837 13.3243 13.3272 k = 0.4980 0.0135 0.2443 ( 3336 PWs) bands (ev): -47.5304 -47.5304 -22.5517 -22.5516 -19.5738 -19.5697 -19.4037 -19.4014 -19.3830 -19.3810 -17.8659 -17.8655 -7.6357 -7.6356 -4.9691 -4.9688 -4.2466 -4.2466 -3.9301 -3.9295 0.0851 0.0851 0.5595 0.5612 1.9865 1.9892 5.3951 5.3952 9.4761 9.4762 10.1878 10.1884 13.3580 13.3606 k = 0.4984 0.0258 0.2392 ( 3330 PWs) bands (ev): -47.5304 -47.5304 -22.5522 -22.5522 -19.5730 -19.5697 -19.4028 -19.4010 -19.3827 -19.3810 -17.8663 -17.8660 -7.6304 -7.6303 -4.9773 -4.9771 -4.2450 -4.2450 -3.9257 -3.9252 0.0829 0.0829 0.5528 0.5543 1.9848 1.9870 5.3931 5.3931 9.4702 9.4703 10.1920 10.1924 13.3866 13.3886 k = 0.4988 0.0381 0.2341 ( 3324 PWs) bands (ev): -47.5304 -47.5304 -22.5526 -22.5526 -19.5722 -19.5697 -19.4021 -19.4007 -19.3824 -19.3810 -17.8666 -17.8664 -7.6262 -7.6261 -4.9838 -4.9836 -4.2438 -4.2437 -3.9222 -3.9218 0.0812 0.0812 0.5477 0.5488 1.9836 1.9852 5.3914 5.3914 9.4656 9.4657 10.1953 10.1956 13.4094 13.4110 k = 0.4992 0.0504 0.2290 ( 3324 PWs) bands (ev): -47.5304 -47.5304 -22.5530 -22.5529 -19.5716 -19.5699 -19.4015 -19.4006 -19.3821 -19.3812 -17.8668 -17.8667 -7.6232 -7.6231 -4.9885 -4.9884 -4.2429 -4.2429 -3.9197 -3.9194 0.0800 0.0800 0.5440 0.5448 1.9827 1.9838 5.3903 5.3903 9.4623 9.4624 10.1977 10.1980 13.4261 13.4272 k = 0.4996 0.0627 0.2238 ( 3330 PWs) bands (ev): -47.5304 -47.5304 -22.5531 -22.5531 -19.5711 -19.5702 -19.4011 -19.4006 -19.3818 -19.3814 -17.8669 -17.8669 -7.6214 -7.6213 -4.9913 -4.9913 -4.2423 -4.2423 -3.9181 -3.9180 0.0793 0.0793 0.5419 0.5423 1.9823 1.9829 5.3896 5.3896 9.4603 9.4604 10.1992 10.1993 13.4364 13.4369 k = 0.5000 0.0750 0.2187 ( 3330 PWs) bands (ev): -47.5304 -47.5304 -22.5532 -22.5532 -19.5706 -19.5706 -19.4008 -19.4008 -19.3816 -19.3816 -17.8669 -17.8669 -7.6207 -7.6207 -4.9922 -4.9922 -4.2422 -4.2422 -3.9176 -3.9176 0.0790 0.0790 0.5413 0.5413 1.9824 1.9824 5.3893 5.3893 9.4597 9.4597 10.1998 10.1998 13.4400 13.4400 k = 0.5000 0.0750 0.2187 ( 3330 PWs) bands (ev): -47.5304 -47.5304 -22.5532 -22.5532 -19.5706 -19.5706 -19.4008 -19.4008 -19.3816 -19.3816 -17.8669 -17.8669 -7.6207 -7.6207 -4.9922 -4.9922 -4.2422 -4.2422 -3.9176 -3.9176 0.0790 0.0790 0.5413 0.5413 1.9824 1.9824 5.3893 5.3893 9.4597 9.4597 10.1998 10.1998 13.4400 13.4400 k = 0.4944 0.0798 0.2298 ( 3330 PWs) bands (ev): -47.5304 -47.5304 -22.5531 -22.5531 -19.5709 -19.5704 -19.4010 -19.4006 -19.3820 -19.3813 -17.8669 -17.8668 -7.6207 -7.6207 -4.9922 -4.9920 -4.2429 -4.2426 -3.9177 -3.9177 0.0782 0.0785 0.5415 0.5418 1.9825 1.9826 5.3885 5.3887 9.4612 9.4614 10.2013 10.2014 13.4407 13.4409 k = 0.4889 0.0846 0.2408 ( 3334 PWs) bands (ev): -47.5304 -47.5304 -22.5530 -22.5530 -19.5712 -19.5703 -19.4014 -19.4005 -19.3824 -19.3810 -17.8666 -17.8665 -7.6205 -7.6205 -4.9918 -4.9916 -4.2448 -4.2444 -3.9182 -3.9180 0.0759 0.0766 0.5422 0.5428 1.9831 1.9832 5.3864 5.3867 9.4659 9.4662 10.2059 10.2061 13.4427 13.4432 k = 0.4833 0.0893 0.2519 ( 3338 PWs) bands (ev): -47.5304 -47.5304 -22.5527 -22.5527 -19.5716 -19.5702 -19.4018 -19.4006 -19.3828 -19.3808 -17.8662 -17.8660 -7.6202 -7.6201 -4.9912 -4.9909 -4.2479 -4.2472 -3.9189 -3.9186 0.0723 0.0732 0.5435 0.5445 1.9841 1.9843 5.3828 5.3834 9.4738 9.4742 10.2135 10.2138 13.4463 13.4470 k = 0.4778 0.0941 0.2630 ( 3338 PWs) bands (ev): -47.5304 -47.5304 -22.5524 -22.5524 -19.5721 -19.5702 -19.4023 -19.4006 -19.3833 -19.3806 -17.8656 -17.8653 -7.6197 -7.6197 -4.9904 -4.9900 -4.2522 -4.2512 -3.9198 -3.9194 0.0673 0.0686 0.5455 0.5467 1.9855 1.9858 5.3780 5.3787 9.4849 9.4854 10.2243 10.2247 13.4512 13.4522 k = 0.4722 0.0989 0.2740 ( 3336 PWs) bands (ev): -47.5304 -47.5304 -22.5519 -22.5519 -19.5726 -19.5702 -19.4029 -19.4008 -19.3838 -19.3805 -17.8647 -17.8644 -7.6191 -7.6191 -4.9893 -4.9888 -4.2575 -4.2564 -3.9210 -3.9205 0.0611 0.0627 0.5480 0.5495 1.9873 1.9876 5.3718 5.3727 9.4990 9.4997 10.2380 10.2386 13.4576 13.4587 k = 0.4667 0.1037 0.2851 ( 3334 PWs) bands (ev): -47.5304 -47.5304 -22.5513 -22.5513 -19.5731 -19.5703 -19.4036 -19.4011 -19.3842 -19.3804 -17.8637 -17.8633 -7.6184 -7.6183 -4.9880 -4.9874 -4.2640 -4.2626 -3.9224 -3.9219 0.0536 0.0555 0.5510 0.5527 1.9895 1.9898 5.3643 5.3654 9.5162 9.5170 10.2548 10.2554 13.4652 13.4666 k = 0.4611 0.1085 0.2961 ( 3334 PWs) bands (ev): -47.5304 -47.5304 -22.5507 -22.5507 -19.5738 -19.5704 -19.4044 -19.4015 -19.3847 -19.3804 -17.8626 -17.8621 -7.6176 -7.6175 -4.9865 -4.9857 -4.2714 -4.2698 -3.9241 -3.9235 0.0450 0.0471 0.5545 0.5565 1.9921 1.9924 5.3556 5.3569 9.5363 9.5372 10.2745 10.2753 13.4741 13.4757 k = 0.4556 0.1133 0.3072 ( 3338 PWs) bands (ev): -47.5303 -47.5303 -22.5499 -22.5499 -19.5744 -19.5707 -19.4052 -19.4019 -19.3852 -19.3805 -17.8612 -17.8607 -7.6166 -7.6165 -4.9848 -4.9839 -4.2798 -4.2779 -3.9261 -3.9254 0.0352 0.0375 0.5585 0.5607 1.9949 1.9954 5.3457 5.3472 9.5594 9.5604 10.2972 10.2980 13.4841 13.4860 k = 0.4500 0.1180 0.3183 ( 3334 PWs) bands (ev): -47.5303 -47.5303 -22.5491 -22.5491 -19.5752 -19.5710 -19.4062 -19.4025 -19.3855 -19.3805 -17.8597 -17.8591 -7.6155 -7.6155 -4.9830 -4.9820 -4.2890 -4.2869 -3.9283 -3.9275 0.0244 0.0269 0.5630 0.5653 1.9982 1.9987 5.3347 5.3363 9.5852 9.5863 10.3227 10.3236 13.4952 13.4973 k = 0.4444 0.1228 0.3293 ( 3330 PWs) bands (ev): -47.5303 -47.5303 -22.5482 -22.5482 -19.5759 -19.5713 -19.4072 -19.4031 -19.3859 -19.3806 -17.8581 -17.8574 -7.6144 -7.6143 -4.9810 -4.9799 -4.2990 -4.2967 -3.9307 -3.9298 0.0126 0.0153 0.5678 0.5702 2.0017 2.0023 5.3227 5.3245 9.6138 9.6150 10.3509 10.3519 13.5071 13.5094 k = 0.4389 0.1276 0.3404 ( 3334 PWs) bands (ev): -47.5302 -47.5302 -22.5471 -22.5471 -19.5768 -19.5717 -19.4084 -19.4039 -19.3863 -19.3807 -17.8562 -17.8555 -7.6131 -7.6130 -4.9790 -4.9777 -4.3098 -4.3072 -3.9334 -3.9325 -0.0001 0.0027 0.5729 0.5755 2.0056 2.0061 5.3096 5.3116 9.6449 9.6462 10.3819 10.3830 13.5197 13.5223 k = 0.4333 0.1324 0.3514 ( 3338 PWs) bands (ev): -47.5302 -47.5302 -22.5461 -22.5461 -19.5776 -19.5722 -19.4096 -19.4047 -19.3866 -19.3809 -17.8543 -17.8535 -7.6117 -7.6116 -4.9769 -4.9755 -4.3211 -4.3183 -3.9364 -3.9354 -0.0136 -0.0107 0.5784 0.5811 2.0097 2.0103 5.2957 5.2978 9.6786 9.6800 10.4154 10.4166 13.5327 13.5356 k = 0.4278 0.1372 0.3625 ( 3334 PWs) bands (ev): -47.5302 -47.5302 -22.5449 -22.5449 -19.5785 -19.5727 -19.4109 -19.4056 -19.3869 -19.3810 -17.8522 -17.8514 -7.6103 -7.6101 -4.9747 -4.9732 -4.3328 -4.3298 -3.9396 -3.9385 -0.0278 -0.0249 0.5842 0.5869 2.0140 2.0147 5.2809 5.2831 9.7146 9.7161 10.4515 10.4528 13.5459 13.5490 k = 0.4222 0.1420 0.3736 ( 3336 PWs) bands (ev): -47.5301 -47.5301 -22.5437 -22.5437 -19.5795 -19.5733 -19.4123 -19.4066 -19.3871 -19.3812 -17.8500 -17.8492 -7.6087 -7.6086 -4.9726 -4.9710 -4.3449 -4.3417 -3.9431 -3.9419 -0.0428 -0.0397 0.5902 0.5930 2.0186 2.0193 5.2653 5.2677 9.7529 9.7545 10.4900 10.4914 13.5589 13.5622 k = 0.4167 0.1468 0.3846 ( 3334 PWs) bands (ev): -47.5301 -47.5301 -22.5424 -22.5424 -19.5805 -19.5739 -19.4137 -19.4076 -19.3873 -19.3814 -17.8478 -17.8468 -7.6071 -7.6069 -4.9706 -4.9688 -4.3573 -4.3538 -3.9468 -3.9455 -0.0583 -0.0552 0.5964 0.5992 2.0233 2.0241 5.2491 5.2517 9.7934 9.7950 10.5308 10.5323 13.5711 13.5747 k = 0.4111 0.1515 0.3957 ( 3328 PWs) bands (ev): -47.5301 -47.5301 -22.5411 -22.5411 -19.5815 -19.5746 -19.4152 -19.4086 -19.3874 -19.3815 -17.8454 -17.8444 -7.6054 -7.6052 -4.9687 -4.9668 -4.3697 -4.3660 -3.9507 -3.9494 -0.0743 -0.0711 0.6028 0.6056 2.0283 2.0290 5.2323 5.2350 9.8359 9.8376 10.5738 10.5753 13.5819 13.5858 k = 0.4056 0.1563 0.4067 ( 3328 PWs) bands (ev): -47.5300 -47.5300 -22.5397 -22.5397 -19.5826 -19.5753 -19.4168 -19.4098 -19.3876 -19.3818 -17.8429 -17.8419 -7.6036 -7.6035 -4.9670 -4.9650 -4.3821 -4.3782 -3.9549 -3.9535 -0.0908 -0.0876 0.6093 0.6121 2.0333 2.0341 5.2150 5.2178 9.8802 9.8820 10.6188 10.6204 13.5904 13.5945 k = 0.4000 0.1611 0.4178 ( 3328 PWs) bands (ev): -47.5300 -47.5300 -22.5383 -22.5383 -19.5837 -19.5761 -19.4184 -19.4109 -19.3877 -19.3820 -17.8404 -17.8393 -7.6018 -7.6016 -4.9656 -4.9634 -4.3944 -4.3903 -3.9593 -3.9579 -0.1075 -0.1043 0.6159 0.6187 2.0385 2.0393 5.1973 5.2003 9.9264 9.9282 10.6657 10.6674 13.5954 13.5997 k = 0.3944 0.1659 0.4289 ( 3330 PWs) bands (ev): -47.5299 -47.5299 -22.5368 -22.5368 -19.5848 -19.5770 -19.4200 -19.4121 -19.3878 -19.3822 -17.8378 -17.8367 -7.6000 -7.5998 -4.9644 -4.9621 -4.4064 -4.4021 -3.9639 -3.9624 -0.1245 -0.1214 0.6225 0.6253 2.0438 2.0445 5.1793 5.1824 9.9742 9.9761 10.7143 10.7161 13.5953 13.5997 k = 0.3889 0.1707 0.4399 ( 3332 PWs) bands (ev): -47.5299 -47.5299 -22.5353 -22.5353 -19.5860 -19.5778 -19.4216 -19.4133 -19.3879 -19.3824 -17.8352 -17.8341 -7.5981 -7.5979 -4.9636 -4.9611 -4.4180 -4.4135 -3.9688 -3.9672 -0.1417 -0.1385 0.6292 0.6320 2.0491 2.0499 5.1610 5.1642 10.0236 10.0255 10.7645 10.7663 13.5882 13.5926 k = 0.3833 0.1755 0.4510 ( 3336 PWs) bands (ev): -47.5298 -47.5298 -22.5338 -22.5338 -19.5871 -19.5788 -19.4233 -19.4145 -19.3880 -19.3826 -17.8326 -17.8314 -7.5962 -7.5960 -4.9633 -4.9606 -4.4290 -4.4243 -3.9739 -3.9722 -0.1590 -0.1558 0.6359 0.6386 2.0544 2.0552 5.1427 5.1460 10.0743 10.0764 10.8160 10.8179 13.5723 13.5764 k = 0.3778 0.1802 0.4620 ( 3336 PWs) bands (ev): -47.5298 -47.5298 -22.5323 -22.5323 -19.5883 -19.5797 -19.4249 -19.4157 -19.3880 -19.3828 -17.8299 -17.8287 -7.5943 -7.5941 -4.9633 -4.9605 -4.4394 -4.4346 -3.9791 -3.9774 -0.1762 -0.1731 0.6426 0.6452 2.0597 2.0605 5.1243 5.1277 10.1265 10.1285 10.8687 10.8707 13.5460 13.5497 k = 0.3722 0.1850 0.4731 ( 3338 PWs) bands (ev): -47.5298 -47.5298 -22.5308 -22.5308 -19.5895 -19.5807 -19.4265 -19.4170 -19.3881 -19.3830 -17.8272 -17.8260 -7.5924 -7.5921 -4.9639 -4.9610 -4.4490 -4.4440 -3.9845 -3.9828 -0.1934 -0.1903 0.6492 0.6518 2.0650 2.0658 5.1059 5.1094 10.1798 10.1819 10.9225 10.9246 13.5088 13.5120 k = 0.3667 0.1898 0.4842 ( 3338 PWs) bands (ev): -47.5297 -47.5297 -22.5293 -22.5293 -19.5907 -19.5817 -19.4281 -19.4182 -19.3881 -19.3832 -17.8246 -17.8234 -7.5904 -7.5902 -4.9650 -4.9620 -4.4578 -4.4527 -3.9901 -3.9883 -0.2105 -0.2074 0.6558 0.6583 2.0703 2.0711 5.0876 5.0913 10.2342 10.2364 10.9769 10.9791 13.4617 13.4644 k = 0.3611 0.1946 0.4952 ( 3344 PWs) bands (ev): -47.5297 -47.5297 -22.5278 -22.5278 -19.5919 -19.5827 -19.4297 -19.4194 -19.3881 -19.3834 -17.8219 -17.8207 -7.5885 -7.5883 -4.9667 -4.9636 -4.4657 -4.4604 -3.9958 -3.9940 -0.2273 -0.2243 0.6622 0.6646 2.0755 2.0763 5.0696 5.0733 10.2896 10.2919 11.0320 11.0343 13.4063 13.4084 k = 0.3556 0.1994 0.5063 ( 3344 PWs) bands (ev): -47.5296 -47.5296 -22.5263 -22.5263 -19.5930 -19.5837 -19.4312 -19.4206 -19.3881 -19.3836 -17.8193 -17.8181 -7.5867 -7.5864 -4.9689 -4.9657 -4.4726 -4.4673 -4.0017 -3.9998 -0.2438 -0.2408 0.6685 0.6708 2.0806 2.0814 5.0519 5.0557 10.3460 10.3482 11.0874 11.0898 13.3446 13.3463 k = 0.3500 0.2042 0.5173 ( 3344 PWs) bands (ev): -47.5296 -47.5296 -22.5248 -22.5248 -19.5942 -19.5848 -19.4327 -19.4217 -19.3881 -19.3838 -17.8168 -17.8156 -7.5848 -7.5846 -4.9716 -4.9684 -4.4785 -4.4731 -4.0076 -4.0057 -0.2599 -0.2569 0.6746 0.6769 2.0856 2.0863 5.0346 5.0385 10.4031 10.4054 11.1428 11.1453 13.2782 13.2795 k = 0.3444 0.2090 0.5284 ( 3340 PWs) bands (ev): -47.5295 -47.5295 -22.5234 -22.5234 -19.5953 -19.5858 -19.4341 -19.4228 -19.3881 -19.3839 -17.8143 -17.8131 -7.5830 -7.5827 -4.9749 -4.9716 -4.4834 -4.4779 -4.0136 -4.0117 -0.2755 -0.2726 0.6806 0.6827 2.0904 2.0912 5.0177 5.0217 10.4608 10.4632 11.1982 11.2008 13.2085 13.2095 k = 0.3389 0.2137 0.5395 ( 3336 PWs) bands (ev): -47.5295 -47.5295 -22.5220 -22.5220 -19.5964 -19.5867 -19.4354 -19.4239 -19.3881 -19.3841 -17.8119 -17.8107 -7.5812 -7.5810 -4.9786 -4.9753 -4.4872 -4.4818 -4.0197 -4.0177 -0.2906 -0.2878 0.6863 0.6884 2.0951 2.0958 5.0014 5.0055 10.5191 10.5216 11.2531 11.2558 13.1366 13.1374 k = 0.3333 0.2185 0.5505 ( 3340 PWs) bands (ev): -47.5295 -47.5295 -22.5207 -22.5207 -19.5975 -19.5878 -19.4368 -19.4250 -19.3881 -19.3842 -17.8096 -17.8083 -7.5795 -7.5793 -4.9827 -4.9793 -4.4902 -4.4847 -4.0257 -4.0237 -0.3052 -0.3024 0.6918 0.6938 2.0996 2.1003 4.9857 4.9898 10.5778 10.5804 11.3073 11.3102 13.0632 13.0638 k = 0.3278 0.2233 0.5616 ( 3342 PWs) bands (ev): -47.5294 -47.5294 -22.5194 -22.5194 -19.5985 -19.5887 -19.4380 -19.4260 -19.3881 -19.3844 -17.8074 -17.8061 -7.5779 -7.5776 -4.9871 -4.9838 -4.4922 -4.4868 -4.0317 -4.0297 -0.3191 -0.3164 0.6971 0.6990 2.1039 2.1046 4.9706 4.9749 10.6368 10.6394 11.3607 11.3636 12.9890 12.9896 k = 0.3222 0.2281 0.5726 ( 3342 PWs) bands (ev): -47.5294 -47.5294 -22.5181 -22.5181 -19.5995 -19.5897 -19.4392 -19.4269 -19.3881 -19.3845 -17.8052 -17.8040 -7.5763 -7.5760 -4.9917 -4.9884 -4.4934 -4.4881 -4.0377 -4.0357 -0.3324 -0.3296 0.7021 0.7039 2.1080 2.1086 4.9564 4.9606 10.6958 10.6985 11.4128 11.4159 12.9147 12.9152 k = 0.3167 0.2329 0.5837 ( 3342 PWs) bands (ev): -47.5293 -47.5293 -22.5170 -22.5170 -19.6005 -19.5906 -19.4402 -19.4278 -19.3880 -19.3846 -17.8032 -17.8020 -7.5749 -7.5746 -4.9965 -4.9933 -4.4940 -4.4887 -4.0435 -4.0415 -0.3448 -0.3421 0.7067 0.7085 2.1118 2.1124 4.9429 4.9472 10.7547 10.7575 11.4635 11.4667 12.8405 12.8411 k = 0.3111 0.2377 0.5948 ( 3344 PWs) bands (ev): -47.5293 -47.5293 -22.5159 -22.5159 -19.6014 -19.5914 -19.4412 -19.4286 -19.3880 -19.3848 -17.8013 -17.8001 -7.5735 -7.5732 -5.0014 -4.9982 -4.4939 -4.4887 -4.0491 -4.0471 -0.3564 -0.3538 0.7111 0.7128 2.1154 2.1160 4.9302 4.9346 10.8132 10.8161 11.5124 11.5158 12.7669 12.7676 k = 0.3056 0.2424 0.6058 ( 3342 PWs) bands (ev): -47.5293 -47.5293 -22.5148 -22.5148 -19.6022 -19.5922 -19.4422 -19.4293 -19.3880 -19.3849 -17.7996 -17.7983 -7.5722 -7.5719 -5.0061 -5.0030 -4.4933 -4.4882 -4.0545 -4.0525 -0.3672 -0.3646 0.7152 0.7167 2.1188 2.1193 4.9185 4.9230 10.8710 10.8740 11.5593 11.5628 12.6945 12.6952 k = 0.3000 0.2472 0.6169 ( 3340 PWs) bands (ev): -47.5293 -47.5293 -22.5139 -22.5139 -19.6030 -19.5930 -19.4430 -19.4300 -19.3879 -19.3850 -17.7980 -17.7967 -7.5710 -7.5707 -5.0108 -5.0077 -4.4922 -4.4873 -4.0597 -4.0577 -0.3771 -0.3745 0.7189 0.7204 2.1218 2.1223 4.9078 4.9123 10.9276 10.9308 11.6039 11.6076 12.6236 12.6244 k = 0.2944 0.2520 0.6279 ( 3340 PWs) bands (ev): -47.5292 -47.5292 -22.5130 -22.5130 -19.6037 -19.5937 -19.4437 -19.4307 -19.3879 -19.3850 -17.7965 -17.7953 -7.5699 -7.5696 -5.0152 -5.0121 -4.4910 -4.4862 -4.0645 -4.0625 -0.3861 -0.3835 0.7223 0.7237 2.1246 2.1250 4.8981 4.9026 10.9827 10.9859 11.6459 11.6499 12.5546 12.5557 k = 0.2889 0.2568 0.6390 ( 3338 PWs) bands (ev): -47.5292 -47.5292 -22.5123 -22.5123 -19.6043 -19.5943 -19.4444 -19.4312 -19.3879 -19.3851 -17.7952 -17.7940 -7.5689 -7.5686 -5.0193 -5.0163 -4.4895 -4.4848 -4.0689 -4.0670 -0.3941 -0.3915 0.7253 0.7266 2.1271 2.1275 4.8894 4.8940 11.0355 11.0389 11.6852 11.6894 12.4884 12.4897 k = 0.2833 0.2616 0.6501 ( 3344 PWs) bands (ev): -47.5292 -47.5292 -22.5116 -22.5116 -19.6049 -19.5949 -19.4450 -19.4317 -19.3879 -19.3852 -17.7941 -17.7928 -7.5681 -7.5678 -5.0230 -5.0200 -4.4880 -4.4835 -4.0729 -4.0710 -0.4011 -0.3985 0.7279 0.7291 2.1292 2.1296 4.8818 4.8864 11.0852 11.0887 11.7214 11.7259 12.4255 12.4270 k = 0.2778 0.2664 0.6611 ( 3338 PWs) bands (ev): -47.5292 -47.5292 -22.5110 -22.5110 -19.6053 -19.5953 -19.4455 -19.4321 -19.3878 -19.3853 -17.7931 -17.7919 -7.5674 -7.5670 -5.0262 -5.0233 -4.4865 -4.4821 -4.0763 -4.0745 -0.4070 -0.4045 0.7302 0.7313 2.1311 2.1314 4.8753 4.8800 11.1308 11.1345 11.7544 11.7592 12.3669 12.3688 k = 0.2722 0.2712 0.6722 ( 3338 PWs) bands (ev): -47.5292 -47.5292 -22.5106 -22.5106 -19.6057 -19.5957 -19.4459 -19.4325 -19.3878 -19.3853 -17.7923 -17.7911 -7.5668 -7.5664 -5.0290 -5.0261 -4.4852 -4.4809 -4.0792 -4.0774 -0.4119 -0.4094 0.7321 0.7331 2.1326 2.1329 4.8700 4.8747 11.1712 11.1750 11.7836 11.7889 12.3140 12.3163 k = 0.2667 0.2759 0.6832 ( 3338 PWs) bands (ev): -47.5291 -47.5291 -22.5102 -22.5102 -19.6060 -19.5960 -19.4462 -19.4327 -19.3878 -19.3853 -17.7916 -17.7904 -7.5663 -7.5660 -5.0311 -5.0283 -4.4841 -4.4798 -4.0816 -4.0797 -0.4158 -0.4133 0.7335 0.7345 2.1338 2.1340 4.8658 4.8705 11.2049 11.2089 11.8087 11.8143 12.2684 12.2712 k = 0.2611 0.2807 0.6943 ( 3332 PWs) bands (ev): -47.5291 -47.5291 -22.5099 -22.5099 -19.6062 -19.5962 -19.4464 -19.4329 -19.3877 -19.3853 -17.7912 -17.7900 -7.5660 -7.5656 -5.0327 -5.0299 -4.4832 -4.4790 -4.0832 -4.0814 -0.4185 -0.4160 0.7346 0.7355 2.1347 2.1348 4.8629 4.8676 11.2304 11.2345 11.8285 11.8346 12.2325 12.2358 k = 0.2556 0.2855 0.7054 ( 3324 PWs) bands (ev): -47.5291 -47.5291 -22.5098 -22.5098 -19.6063 -19.5963 -19.4465 -19.4330 -19.3877 -19.3853 -17.7909 -17.7897 -7.5658 -7.5654 -5.0336 -5.0309 -4.4826 -4.4785 -4.0842 -4.0825 -0.4201 -0.4176 0.7352 0.7361 2.1353 2.1353 4.8611 4.8658 11.2464 11.2505 11.8415 11.8480 12.2091 12.2129 k = 0.2500 0.2903 0.7164 ( 3324 PWs) bands (ev): -47.5291 -47.5291 -22.5097 -22.5097 -19.6063 -19.5963 -19.4465 -19.4330 -19.3877 -19.3854 -17.7908 -17.7896 -7.5657 -7.5654 -5.0340 -5.0312 -4.4825 -4.4783 -4.0846 -4.0828 -0.4206 -0.4182 0.7354 0.7363 2.1355 2.1355 4.8605 4.8652 11.2518 11.2560 11.8461 11.8527 12.2009 12.2049 k = 0.3371-0.2903 0.7164 ( 3348 PWs) bands (ev): -47.5295 -47.5295 -22.5046 -22.5043 -19.5966 -19.5924 -19.4310 -19.4284 -19.4003 -19.3938 -17.8292 -17.8291 -7.8323 -7.8317 -4.7187 -4.7154 -4.4494 -4.4487 -4.1555 -4.1511 -0.1080 -0.1054 1.1991 1.2020 1.9950 1.9967 5.0558 5.0572 10.9577 10.9609 11.2863 11.2884 11.8973 11.8979 k = 0.3427-0.2952 0.7052 ( 3348 PWs) bands (ev): -47.5295 -47.5295 -22.5046 -22.5043 -19.5972 -19.5932 -19.4318 -19.4291 -19.4002 -19.3938 -17.8295 -17.8294 -7.8408 -7.8402 -4.7004 -4.6972 -4.4472 -4.4465 -4.1606 -4.1563 -0.0891 -0.0865 1.2053 1.2082 1.9938 1.9957 5.0833 5.0847 10.9382 10.9413 11.2288 11.2308 11.8764 11.8768 k = 0.3484-0.3000 0.6939 ( 3344 PWs) bands (ev): -47.5295 -47.5295 -22.5046 -22.5044 -19.5978 -19.5939 -19.4327 -19.4299 -19.4000 -19.3938 -17.8297 -17.8296 -7.8492 -7.8486 -4.6817 -4.6785 -4.4451 -4.4444 -4.1657 -4.1616 -0.0700 -0.0674 1.2113 1.2142 1.9926 1.9945 5.1111 5.1124 10.9158 10.9187 11.1701 11.1719 11.8560 11.8563 k = 0.3540-0.3049 0.6826 ( 3336 PWs) bands (ev): -47.5296 -47.5296 -22.5047 -22.5045 -19.5984 -19.5947 -19.4334 -19.4306 -19.3998 -19.3937 -17.8299 -17.8298 -7.8575 -7.8569 -4.6627 -4.6596 -4.4432 -4.4424 -4.1709 -4.1668 -0.0506 -0.0481 1.2170 1.2199 1.9912 1.9932 5.1390 5.1403 10.8910 10.8936 11.1104 11.1120 11.8362 11.8364 k = 0.3597-0.3098 0.6714 ( 3326 PWs) bands (ev): -47.5296 -47.5296 -22.5048 -22.5046 -19.5990 -19.5954 -19.4342 -19.4313 -19.3995 -19.3936 -17.8301 -17.8300 -7.8656 -7.8650 -4.6435 -4.6404 -4.4413 -4.4405 -4.1759 -4.1719 -0.0313 -0.0287 1.2225 1.2254 1.9897 1.9918 5.1670 5.1683 10.8642 10.8665 11.0499 11.0513 11.8155 11.8168 k = 0.3654-0.3147 0.6601 ( 3326 PWs) bands (ev): -47.5296 -47.5296 -22.5050 -22.5048 -19.5997 -19.5962 -19.4350 -19.4321 -19.3993 -19.3935 -17.8303 -17.8302 -7.8736 -7.8730 -4.6242 -4.6211 -4.4396 -4.4388 -4.1810 -4.1771 -0.0120 -0.0095 1.2277 1.2306 1.9882 1.9903 5.1949 5.1961 10.8356 10.8376 10.9891 10.9903 11.7799 11.7833 k = 0.3710-0.3195 0.6488 ( 3322 PWs) bands (ev): -47.5297 -47.5297 -22.5052 -22.5050 -19.6004 -19.5970 -19.4357 -19.4328 -19.3990 -19.3934 -17.8304 -17.8303 -7.8814 -7.8808 -4.6048 -4.6019 -4.4380 -4.4372 -4.1859 -4.1821 0.0072 0.0097 1.2327 1.2356 1.9866 1.9887 5.2226 5.2237 10.8053 10.8070 10.9286 10.9295 11.7230 11.7257 k = 0.3767-0.3244 0.6376 ( 3320 PWs) bands (ev): -47.5297 -47.5297 -22.5054 -22.5052 -19.6010 -19.5978 -19.4365 -19.4335 -19.3987 -19.3933 -17.8305 -17.8304 -7.8889 -7.8884 -4.5856 -4.5827 -4.4365 -4.4356 -4.1908 -4.1871 0.0262 0.0286 1.2374 1.2403 1.9849 1.9871 5.2499 5.2511 10.7730 10.7742 10.8695 10.8703 11.6657 11.6682 k = 0.3823-0.3293 0.6263 ( 3319 PWs) bands (ev): -47.5298 -47.5298 -22.5056 -22.5054 -19.6017 -19.5986 -19.4372 -19.4342 -19.3983 -19.3932 -17.8306 -17.8305 -7.8963 -7.8957 -4.5665 -4.5637 -4.4351 -4.4342 -4.1956 -4.1919 0.0449 0.0472 1.2418 1.2447 1.9831 1.9854 5.2769 5.2780 10.7372 10.7380 10.8139 10.8148 11.6101 11.6125 k = 0.3880-0.3341 0.6151 ( 3321 PWs) bands (ev): -47.5298 -47.5298 -22.5058 -22.5057 -19.6024 -19.5994 -19.4378 -19.4349 -19.3980 -19.3931 -17.8307 -17.8306 -7.9033 -7.9028 -4.5478 -4.5450 -4.4338 -4.4329 -4.2002 -4.1966 0.0632 0.0654 1.2460 1.2489 1.9814 1.9837 5.3033 5.3043 10.6952 10.6962 10.7649 10.7664 11.5567 11.5589 k = 0.3936-0.3390 0.6038 ( 3320 PWs) bands (ev): -47.5298 -47.5298 -22.5061 -22.5059 -19.6031 -19.6002 -19.4385 -19.4356 -19.3976 -19.3930 -17.8307 -17.8306 -7.9101 -7.9096 -4.5294 -4.5267 -4.4326 -4.4316 -4.2047 -4.2012 0.0810 0.0832 1.2499 1.2528 1.9796 1.9820 5.3290 5.3300 10.6462 10.6474 10.7245 10.7263 11.5055 11.5076 k = 0.3993-0.3439 0.5925 ( 3322 PWs) bands (ev): -47.5299 -47.5299 -22.5064 -22.5062 -19.6037 -19.6009 -19.4391 -19.4362 -19.3973 -19.3929 -17.8308 -17.8306 -7.9166 -7.9161 -4.5115 -4.5089 -4.4314 -4.4304 -4.2091 -4.2056 0.0983 0.1004 1.2536 1.2564 1.9779 1.9803 5.3539 5.3548 10.5930 10.5942 10.6907 10.6925 11.4568 11.4587 k = 0.4050-0.3488 0.5813 ( 3320 PWs) bands (ev): -47.5299 -47.5299 -22.5066 -22.5064 -19.6044 -19.6016 -19.4396 -19.4368 -19.3969 -19.3928 -17.8308 -17.8306 -7.9228 -7.9223 -4.4943 -4.4917 -4.4304 -4.4293 -4.2132 -4.2098 0.1149 0.1170 1.2570 1.2598 1.9761 1.9786 5.3780 5.3788 10.5387 10.5398 10.6609 10.6626 11.4106 11.4124 k = 0.4106-0.3536 0.5700 ( 3316 PWs) bands (ev): -47.5299 -47.5299 -22.5069 -22.5067 -19.6050 -19.6023 -19.4402 -19.4374 -19.3965 -19.3927 -17.8308 -17.8306 -7.9286 -7.9281 -4.4778 -4.4752 -4.4293 -4.4282 -4.2171 -4.2139 0.1309 0.1328 1.2602 1.2629 1.9745 1.9770 5.4010 5.4018 10.4853 10.4863 10.6337 10.6352 11.3671 11.3688 k = 0.4163-0.3585 0.5587 ( 3323 PWs) bands (ev): -47.5300 -47.5300 -22.5071 -22.5070 -19.6056 -19.6030 -19.4407 -19.4379 -19.3962 -19.3926 -17.8308 -17.8306 -7.9341 -7.9336 -4.4621 -4.4597 -4.4283 -4.4272 -4.2209 -4.2177 0.1460 0.1478 1.2631 1.2658 1.9729 1.9754 5.4228 5.4235 10.4337 10.4346 10.6084 10.6099 11.3264 11.3280 k = 0.4219-0.3634 0.5475 ( 3318 PWs) bands (ev): -47.5300 -47.5300 -22.5074 -22.5072 -19.6062 -19.6036 -19.4411 -19.4384 -19.3958 -19.3925 -17.8308 -17.8306 -7.9391 -7.9387 -4.4476 -4.4454 -4.4271 -4.4258 -4.2244 -4.2213 0.1603 0.1620 1.2658 1.2684 1.9713 1.9739 5.4434 5.4441 10.3846 10.3855 10.5851 10.5864 11.2885 11.2900 k = 0.4276-0.3682 0.5362 ( 3318 PWs) bands (ev): -47.5300 -47.5300 -22.5076 -22.5075 -19.6067 -19.6042 -19.4415 -19.4389 -19.3954 -19.3924 -17.8308 -17.8306 -7.9438 -7.9435 -4.4351 -4.4337 -4.4246 -4.4231 -4.2277 -4.2247 0.1736 0.1752 1.2682 1.2708 1.9698 1.9725 5.4627 5.4633 10.3386 10.3394 10.5635 10.5648 11.2537 11.2550 k = 0.4333-0.3731 0.5249 ( 3314 PWs) bands (ev): -47.5301 -47.5301 -22.5078 -22.5077 -19.6072 -19.6047 -19.4419 -19.4393 -19.3951 -19.3923 -17.8307 -17.8306 -7.9481 -7.9478 -4.4288 -4.4284 -4.4171 -4.4150 -4.2307 -4.2278 0.1859 0.1874 1.2703 1.2729 1.9685 1.9711 5.4804 5.4810 10.2960 10.2967 10.5438 10.5450 11.2218 11.2231 k = 0.4389-0.3780 0.5137 ( 3312 PWs) bands (ev): -47.5301 -47.5301 -22.5080 -22.5079 -19.6077 -19.6052 -19.4422 -19.4396 -19.3947 -19.3923 -17.8307 -17.8305 -7.9520 -7.9517 -4.4273 -4.4265 -4.4064 -4.4042 -4.2334 -4.2307 0.1971 0.1985 1.2723 1.2748 1.9672 1.9699 5.4966 5.4971 10.2571 10.2577 10.5259 10.5271 11.1931 11.1943 k = 0.4446-0.3829 0.5024 ( 3310 PWs) bands (ev): -47.5301 -47.5301 -22.5082 -22.5081 -19.6081 -19.6057 -19.4425 -19.4399 -19.3944 -19.3922 -17.8307 -17.8305 -7.9554 -7.9552 -4.4265 -4.4256 -4.3960 -4.3940 -4.2358 -4.2333 0.2072 0.2084 1.2739 1.2764 1.9661 1.9688 5.5112 5.5116 10.2222 10.2228 10.5100 10.5111 11.1676 11.1687 k = 0.4502-0.3877 0.4912 ( 3316 PWs) bands (ev): -47.5301 -47.5301 -22.5084 -22.5083 -19.6085 -19.6061 -19.4428 -19.4403 -19.3941 -19.3923 -17.8307 -17.8305 -7.9584 -7.9582 -4.4260 -4.4250 -4.3867 -4.3849 -4.2380 -4.2356 0.2160 0.2170 1.2754 1.2778 1.9651 1.9678 5.5239 5.5243 10.1915 10.1920 10.4960 10.4971 11.1454 11.1464 k = 0.4559-0.3926 0.4799 ( 3312 PWs) bands (ev): -47.5301 -47.5301 -22.5085 -22.5085 -19.6088 -19.6064 -19.4430 -19.4405 -19.3938 -19.3923 -17.8306 -17.8305 -7.9610 -7.9608 -4.4256 -4.4245 -4.3787 -4.3770 -4.2398 -4.2376 0.2236 0.2244 1.2766 1.2790 1.9642 1.9670 5.5349 5.5352 10.1652 10.1657 10.4841 10.4852 11.1265 11.1274 k = 0.4615-0.3975 0.4686 ( 3312 PWs) bands (ev): -47.5302 -47.5302 -22.5086 -22.5086 -19.6090 -19.6067 -19.4432 -19.4407 -19.3935 -19.3923 -17.8306 -17.8305 -7.9631 -7.9629 -4.4253 -4.4242 -4.3719 -4.3705 -4.2412 -4.2393 0.2299 0.2306 1.2776 1.2800 1.9635 1.9663 5.5439 5.5442 10.1435 10.1439 10.4743 10.4754 11.1110 11.1118 k = 0.4672-0.4024 0.4574 ( 3312 PWs) bands (ev): -47.5302 -47.5302 -22.5087 -22.5087 -19.6092 -19.6069 -19.4433 -19.4408 -19.3933 -19.3924 -17.8306 -17.8304 -7.9647 -7.9646 -4.4250 -4.4239 -4.3665 -4.3655 -4.2424 -4.2407 0.2348 0.2353 1.2784 1.2807 1.9629 1.9657 5.5510 5.5512 10.1265 10.1269 10.4667 10.4677 11.0989 11.0997 k = 0.4729-0.4072 0.4461 ( 3312 PWs) bands (ev): -47.5302 -47.5302 -22.5088 -22.5088 -19.6094 -19.6071 -19.4434 -19.4410 -19.3931 -19.3925 -17.8306 -17.8304 -7.9659 -7.9658 -4.4248 -4.4237 -4.3626 -4.3619 -4.2432 -4.2417 0.2384 0.2388 1.2790 1.2813 1.9625 1.9653 5.5561 5.5562 10.1142 10.1146 10.4612 10.4622 11.0902 11.0910 k = 0.4785-0.4121 0.4348 ( 3313 PWs) bands (ev): -47.5302 -47.5302 -22.5088 -22.5088 -19.6095 -19.6072 -19.4435 -19.4410 -19.3929 -19.3926 -17.8306 -17.8304 -7.9666 -7.9665 -4.4247 -4.4236 -4.3602 -4.3598 -4.2437 -4.2424 0.2406 0.2408 1.2793 1.2816 1.9622 1.9651 5.5592 5.5593 10.1069 10.1073 10.4578 10.4589 11.0850 11.0857 k = 0.4842-0.4170 0.4236 ( 3312 PWs) bands (ev): -47.5302 -47.5302 -22.5089 -22.5088 -19.6095 -19.6072 -19.4435 -19.4411 -19.3928 -19.3927 -17.8306 -17.8304 -7.9668 -7.9667 -4.4247 -4.4236 -4.3593 -4.3592 -4.2438 -4.2426 0.2414 0.2414 1.2794 1.2817 1.9622 1.9650 5.5602 5.5602 10.1044 10.1048 10.4567 10.4578 11.0832 11.0840 k = 0.5158 0.5669 0.0138 ( 3312 PWs) bands (ev): -47.5302 -47.5302 -22.5089 -22.5088 -19.6095 -19.6072 -19.4435 -19.4411 -19.3928 -19.3927 -17.8306 -17.8304 -7.9668 -7.9667 -4.4247 -4.4236 -4.3593 -4.3592 -4.2438 -4.2426 0.2414 0.2414 1.2794 1.2817 1.9622 1.9650 5.5602 5.5602 10.1044 10.1048 10.4567 10.4578 11.0832 11.0840 k = 0.5079 0.5738 0.0069 ( 3312 PWs) bands (ev): -47.5302 -47.5302 -22.5087 -22.5087 -19.6092 -19.6080 -19.4431 -19.4418 -19.3928 -19.3927 -17.8302 -17.8301 -7.9685 -7.9685 -4.4215 -4.4210 -4.3596 -4.3596 -4.2455 -4.2449 0.2420 0.2420 1.2876 1.2888 1.9596 1.9610 5.5607 5.5608 10.1019 10.1021 10.4774 10.4779 11.0534 11.0537 k = 0.5000 0.5806 0.0000 ( 3312 PWs) bands (ev): -47.5302 -47.5302 -22.5086 -22.5086 -19.6087 -19.6087 -19.4425 -19.4425 -19.3928 -19.3928 -17.8300 -17.8300 -7.9691 -7.9691 -4.4203 -4.4203 -4.3598 -4.3598 -4.2459 -4.2459 0.2422 0.2422 1.2908 1.2908 1.9592 1.9592 5.5609 5.5609 10.1010 10.1010 10.4850 10.4850 11.0430 11.0430 Writing output data file NaNO2.save init_run : 1.52s CPU 10.64s WALL ( 1 calls) electrons : 359.48s CPU 365.29s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.39s CPU 2.03s WALL ( 1 calls) Called by electrons: c_bands : 359.42s CPU 364.69s WALL ( 1 calls) v_of_rho : 0.13s CPU 1.04s WALL ( 1 calls) v_h : 0.03s CPU 0.03s WALL ( 1 calls) v_xc : 0.10s CPU 0.62s WALL ( 1 calls) newd : 0.12s CPU 0.44s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.16s WALL ( 457 calls) cegterg : 330.79s CPU 332.98s WALL ( 815 calls) Called by sum_band: Called by *egterg: h_psi : 175.07s CPU 181.53s WALL ( 13883 calls) s_psi : 4.98s CPU 5.71s WALL ( 13883 calls) g_psi : 0.38s CPU 0.47s WALL ( 12611 calls) cdiaghg : 106.38s CPU 103.86s WALL ( 13068 calls) cegterg:over : 27.19s CPU 24.24s WALL ( 12611 calls) cegterg:upda : 3.45s CPU 6.50s WALL ( 12611 calls) cegterg:last : 3.81s CPU 4.68s WALL ( 2437 calls) Called by h_psi: h_psi:vloc : 158.30s CPU 164.22s WALL ( 13883 calls) h_psi:vnl : 16.64s CPU 16.88s WALL ( 13883 calls) add_vuspsi : 2.62s CPU 4.87s WALL ( 13883 calls) General routines calbec : 13.98s CPU 11.93s WALL ( 13883 calls) fft : 0.46s CPU 1.42s WALL ( 19 calls) ffts : 0.03s CPU 0.54s WALL ( 4 calls) fftw : 152.50s CPU 157.23s WALL ( 993880 calls) interpolate : 0.03s CPU 0.55s WALL ( 4 calls) davcio : 0.04s CPU 1.51s WALL ( 914 calls) Parallel routines fft_scatter : 98.10s CPU 101.68s WALL ( 993903 calls) PWSCF : 6m50.80s CPU 8m16.86s WALL This run was terminated on: 23:18:25 8Oct2015 =------------------------------------------------------------------------------= JOB DONE. 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