Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 15:56: 8 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 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 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: ./VBO3.save/ file B.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized file V.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3P 3P 3D 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 118 34 10 4650 734 118 Max 119 35 11 4654 759 120 Sum 4263 1259 373 167461 27029 4269 bravais-lattice index = 14 lattice parameter (alat) = 10.4374 a.u. unit-cell volume = 603.3961 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 3 number of electrons = 68.00 number of Kohn-Sham states= 82 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 646.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.437405 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.650102 celldm(5)= 0.650102 celldm(6)= 0.650102 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.650102 0.759847 0.000000 ) a(3) = ( 0.650102 0.299362 0.698391 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.855569 -0.564121 ) b(2) = ( 0.000000 1.316054 -0.564121 ) b(3) = ( 0.000000 0.000000 1.431863 ) PseudoPot. # 1 for O read from file: /users/gautes/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 B read from file: /users/gautes/Pseudo/B.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e6935728e521ae6844adca162131706c Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1059 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 V read from file: /users/gautes/Pseudo/V.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 97c593a54d8a0043da5648c660d67431 Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1181 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) B 3.00 10.81100 B( 1.00) V 13.00 50.94150 V( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 291 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364 k( 2) = ( 0.0121951 -0.0104338 -0.0068795), wk = 0.0034364 k( 3) = ( 0.0243902 -0.0208675 -0.0137590), wk = 0.0034364 k( 4) = ( 0.0365854 -0.0313013 -0.0206386), wk = 0.0034364 k( 5) = ( 0.0487805 -0.0417351 -0.0275181), wk = 0.0034364 k( 6) = ( 0.0609756 -0.0521689 -0.0343976), wk = 0.0034364 k( 7) = ( 0.0731707 -0.0626026 -0.0412771), wk = 0.0034364 k( 8) = ( 0.0853658 -0.0730364 -0.0481566), wk = 0.0034364 k( 9) = ( 0.0975610 -0.0834702 -0.0550362), wk = 0.0034364 k( 10) = ( 0.1097561 -0.0939039 -0.0619157), wk = 0.0034364 k( 11) = ( 0.1219512 -0.1043377 -0.0687952), wk = 0.0034364 k( 12) = ( 0.1341463 -0.1147715 -0.0756747), wk = 0.0034364 k( 13) = ( 0.1463415 -0.1252052 -0.0825542), wk = 0.0034364 k( 14) = ( 0.1585366 -0.1356390 -0.0894338), wk = 0.0034364 k( 15) = ( 0.1707317 -0.1460728 -0.0963133), wk = 0.0034364 k( 16) = ( 0.1829268 -0.1565066 -0.1031928), wk = 0.0034364 k( 17) = ( 0.1951219 -0.1669403 -0.1100723), wk = 0.0034364 k( 18) = ( 0.2073171 -0.1773741 -0.1169518), wk = 0.0034364 k( 19) = ( 0.2195122 -0.1878079 -0.1238314), wk = 0.0034364 k( 20) = ( 0.2317073 -0.1982416 -0.1307109), wk = 0.0034364 k( 21) = ( 0.2439024 -0.2086754 -0.1375904), wk = 0.0034364 k( 22) = ( 0.2560976 -0.2191092 -0.1444699), wk = 0.0034364 k( 23) = ( 0.2682927 -0.2295429 -0.1513494), wk = 0.0034364 k( 24) = ( 0.2804878 -0.2399767 -0.1582290), wk = 0.0034364 k( 25) = ( 0.2926829 -0.2504105 -0.1651085), wk = 0.0034364 k( 26) = ( 0.3048781 -0.2608443 -0.1719880), wk = 0.0034364 k( 27) = ( 0.3170732 -0.2712780 -0.1788675), wk = 0.0034364 k( 28) = ( 0.3292683 -0.2817118 -0.1857470), wk = 0.0034364 k( 29) = ( 0.3414634 -0.2921456 -0.1926266), wk = 0.0034364 k( 30) = ( 0.3536585 -0.3025793 -0.1995061), wk = 0.0034364 k( 31) = ( 0.3658537 -0.3130131 -0.2063856), wk = 0.0034364 k( 32) = ( 0.3780488 -0.3234469 -0.2132651), wk = 0.0034364 k( 33) = ( 0.3902439 -0.3338807 -0.2201446), wk = 0.0034364 k( 34) = ( 0.4024390 -0.3443144 -0.2270242), wk = 0.0034364 k( 35) = ( 0.4146341 -0.3547482 -0.2339037), wk = 0.0034364 k( 36) = ( 0.4268293 -0.3651820 -0.2407832), wk = 0.0034364 k( 37) = ( 0.4390244 -0.3756157 -0.2476627), wk = 0.0034364 k( 38) = ( 0.4512195 -0.3860495 -0.2545422), wk = 0.0034364 k( 39) = ( 0.4634146 -0.3964833 -0.2614218), wk = 0.0034364 k( 40) = ( 0.4756098 -0.4069171 -0.2683013), wk = 0.0034364 k( 41) = ( 0.4878049 -0.4173508 -0.2751808), wk = 0.0034364 k( 42) = ( 0.5000000 -0.4277846 -0.2820603), wk = 0.0034364 k( 43) = ( 0.5000000 -0.4277846 -0.2820603), wk = 0.0034364 k( 44) = ( 0.5000000 -0.4182488 -0.2965227), wk = 0.0034364 k( 45) = ( 0.5000000 -0.4087130 -0.3109851), wk = 0.0034364 k( 46) = ( 0.5000000 -0.3991772 -0.3254474), wk = 0.0034364 k( 47) = ( 0.5000000 -0.3896415 -0.3399098), wk = 0.0034364 k( 48) = ( 0.5000000 -0.3801057 -0.3543722), wk = 0.0034364 k( 49) = ( 0.5000000 -0.3705699 -0.3688345), wk = 0.0034364 k( 50) = ( 0.5000000 -0.3610341 -0.3832969), wk = 0.0034364 k( 51) = ( 0.5000000 -0.3514984 -0.3977593), wk = 0.0034364 k( 52) = ( 0.5000000 -0.3419626 -0.4122216), wk = 0.0034364 k( 53) = ( 0.5000000 -0.3324268 -0.4266840), wk = 0.0034364 k( 54) = ( 0.5000000 -0.3228910 -0.4411464), wk = 0.0034364 k( 55) = ( 0.5000000 -0.3133552 -0.4556087), wk = 0.0034364 k( 56) = ( 0.5000000 -0.3038194 -0.4700711), wk = 0.0034364 k( 57) = ( 0.5000000 -0.2942837 -0.4845335), wk = 0.0034364 k( 58) = ( 0.5000000 -0.2847479 -0.4989958), wk = 0.0034364 k( 59) = ( 0.5000000 -0.2752121 -0.5134582), wk = 0.0034364 k( 60) = ( 0.5000000 -0.2656763 -0.5279206), wk = 0.0034364 k( 61) = ( 0.5000000 -0.2561405 -0.5423829), wk = 0.0034364 k( 62) = ( 0.5000000 -0.2466048 -0.5568453), wk = 0.0034364 k( 63) = ( 0.5000000 -0.2370690 -0.5713077), wk = 0.0034364 k( 64) = ( 0.5000000 -0.2275332 -0.5857700), wk = 0.0034364 k( 65) = ( 0.5000000 -0.2179974 -0.6002324), wk = 0.0034364 k( 66) = ( 0.5000000 -0.2084616 -0.6146948), wk = 0.0034364 k( 67) = ( 0.5000000 -0.1989259 -0.6291571), wk = 0.0034364 k( 68) = ( 0.5000000 -0.1893901 -0.6436195), wk = 0.0034364 k( 69) = ( 0.5000000 -0.1798543 -0.6580819), wk = 0.0034364 k( 70) = ( 0.5000000 -0.1703185 -0.6725442), wk = 0.0034364 k( 71) = ( 0.5000000 -0.1607827 -0.6870066), wk = 0.0034364 k( 72) = ( 0.5000000 -0.1512470 -0.7014690), wk = 0.0034364 k( 73) = ( 0.5000000 -0.1417112 -0.7159313), wk = 0.0034364 k( 74) = ( 0.7826279 -0.0115653 -0.4123100), wk = 0.0034364 k( 75) = ( 0.7753811 -0.0053651 -0.3978453), wk = 0.0034364 k( 76) = ( 0.7681342 0.0008351 -0.3833807), wk = 0.0034364 k( 77) = ( 0.7608873 0.0070353 -0.3689161), wk = 0.0034364 k( 78) = ( 0.7536405 0.0132355 -0.3544514), wk = 0.0034364 k( 79) = ( 0.7463936 0.0194357 -0.3399868), wk = 0.0034364 k( 80) = ( 0.7391467 0.0256359 -0.3255222), wk = 0.0034364 k( 81) = ( 0.7318998 0.0318361 -0.3110575), wk = 0.0034364 k( 82) = ( 0.7246530 0.0380363 -0.2965929), wk = 0.0034364 k( 83) = ( 0.7174061 0.0442365 -0.2821283), wk = 0.0034364 k( 84) = ( 0.7101592 0.0504367 -0.2676636), wk = 0.0034364 k( 85) = ( 0.7029124 0.0566369 -0.2531990), wk = 0.0034364 k( 86) = ( 0.6956655 0.0628371 -0.2387344), wk = 0.0034364 k( 87) = ( 0.6884186 0.0690373 -0.2242697), wk = 0.0034364 k( 88) = ( 0.6811717 0.0752375 -0.2098051), wk = 0.0034364 k( 89) = ( 0.6739249 0.0814377 -0.1953405), wk = 0.0034364 k( 90) = ( 0.6666780 0.0876379 -0.1808758), wk = 0.0034364 k( 91) = ( 0.6594311 0.0938381 -0.1664112), wk = 0.0034364 k( 92) = ( 0.6521843 0.1000383 -0.1519466), wk = 0.0034364 k( 93) = ( 0.6449374 0.1062385 -0.1374819), wk = 0.0034364 k( 94) = ( 0.6376905 0.1124387 -0.1230173), wk = 0.0034364 k( 95) = ( 0.6304437 0.1186389 -0.1085527), wk = 0.0034364 k( 96) = ( 0.6231968 0.1248391 -0.0940880), wk = 0.0034364 k( 97) = ( 0.6159499 0.1310393 -0.0796234), wk = 0.0034364 k( 98) = ( 0.6087031 0.1372395 -0.0651588), wk = 0.0034364 k( 99) = ( 0.6014562 0.1434397 -0.0506942), wk = 0.0034364 k( 100) = ( 0.5942093 0.1496399 -0.0362295), wk = 0.0034364 k( 101) = ( 0.5869624 0.1558401 -0.0217649), wk = 0.0034364 k( 102) = ( 0.5797156 0.1620403 -0.0073003), wk = 0.0034364 k( 103) = ( 0.5724687 0.1682405 0.0071644), wk = 0.0034364 k( 104) = ( 0.5652218 0.1744407 0.0216290), wk = 0.0034364 k( 105) = ( 0.5579750 0.1806409 0.0360936), wk = 0.0034364 k( 106) = ( 0.5507281 0.1868411 0.0505583), wk = 0.0034364 k( 107) = ( 0.5434812 0.1930413 0.0650229), wk = 0.0034364 k( 108) = ( 0.5362343 0.1992415 0.0794875), wk = 0.0034364 k( 109) = ( 0.5289875 0.2054417 0.0939522), wk = 0.0034364 k( 110) = ( 0.5217406 0.2116419 0.1084168), wk = 0.0034364 k( 111) = ( 0.5144937 0.2178421 0.1228814), wk = 0.0034364 k( 112) = ( 0.5072469 0.2240423 0.1373461), wk = 0.0034364 k( 113) = ( 0.5000000 0.2302425 0.1518107), wk = 0.0034364 k( 114) = ( 0.5000000 0.2302425 0.1518107), wk = 0.0034364 k( 115) = ( 0.4848485 0.2232655 0.1472104), wk = 0.0034364 k( 116) = ( 0.4696970 0.2162884 0.1426100), wk = 0.0034364 k( 117) = ( 0.4545455 0.2093114 0.1380097), wk = 0.0034364 k( 118) = ( 0.4393939 0.2023343 0.1334094), wk = 0.0034364 k( 119) = ( 0.4242424 0.1953573 0.1288091), wk = 0.0034364 k( 120) = ( 0.4090909 0.1883802 0.1242087), wk = 0.0034364 k( 121) = ( 0.3939394 0.1814032 0.1196084), wk = 0.0034364 k( 122) = ( 0.3787879 0.1744261 0.1150081), wk = 0.0034364 k( 123) = ( 0.3636364 0.1674491 0.1104078), wk = 0.0034364 k( 124) = ( 0.3484849 0.1604720 0.1058075), wk = 0.0034364 k( 125) = ( 0.3333333 0.1534950 0.1012071), wk = 0.0034364 k( 126) = ( 0.3181818 0.1465180 0.0966068), wk = 0.0034364 k( 127) = ( 0.3030303 0.1395409 0.0920065), wk = 0.0034364 k( 128) = ( 0.2878788 0.1325639 0.0874062), wk = 0.0034364 k( 129) = ( 0.2727273 0.1255868 0.0828058), wk = 0.0034364 k( 130) = ( 0.2575758 0.1186098 0.0782055), wk = 0.0034364 k( 131) = ( 0.2424242 0.1116327 0.0736052), wk = 0.0034364 k( 132) = ( 0.2272727 0.1046557 0.0690049), wk = 0.0034364 k( 133) = ( 0.2121212 0.0976786 0.0644045), wk = 0.0034364 k( 134) = ( 0.1969697 0.0907016 0.0598042), wk = 0.0034364 k( 135) = ( 0.1818182 0.0837245 0.0552039), wk = 0.0034364 k( 136) = ( 0.1666667 0.0767475 0.0506036), wk = 0.0034364 k( 137) = ( 0.1515151 0.0697705 0.0460032), wk = 0.0034364 k( 138) = ( 0.1363636 0.0627934 0.0414029), wk = 0.0034364 k( 139) = ( 0.1212121 0.0558164 0.0368026), wk = 0.0034364 k( 140) = ( 0.1060606 0.0488393 0.0322023), wk = 0.0034364 k( 141) = ( 0.0909091 0.0418623 0.0276019), wk = 0.0034364 k( 142) = ( 0.0757576 0.0348852 0.0230016), wk = 0.0034364 k( 143) = ( 0.0606061 0.0279082 0.0184013), wk = 0.0034364 k( 144) = ( 0.0454546 0.0209311 0.0138010), wk = 0.0034364 k( 145) = ( 0.0303030 0.0139541 0.0092006), wk = 0.0034364 k( 146) = ( 0.0151515 0.0069770 0.0046003), wk = 0.0034364 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364 k( 148) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364 k( 149) = ( 0.0073201 -0.0062629 -0.0146108), wk = 0.0034364 k( 150) = ( 0.0146403 -0.0125257 -0.0292217), wk = 0.0034364 k( 151) = ( 0.0219604 -0.0187886 -0.0438325), wk = 0.0034364 k( 152) = ( 0.0292805 -0.0250515 -0.0584434), wk = 0.0034364 k( 153) = ( 0.0366006 -0.0313144 -0.0730542), wk = 0.0034364 k( 154) = ( 0.0439207 -0.0375772 -0.0876651), wk = 0.0034364 k( 155) = ( 0.0512409 -0.0438401 -0.1022759), wk = 0.0034364 k( 156) = ( 0.0585610 -0.0501030 -0.1168867), wk = 0.0034364 k( 157) = ( 0.0658811 -0.0563658 -0.1314976), wk = 0.0034364 k( 158) = ( 0.0732012 -0.0626287 -0.1461084), wk = 0.0034364 k( 159) = ( 0.0805214 -0.0688916 -0.1607193), wk = 0.0034364 k( 160) = ( 0.0878415 -0.0751545 -0.1753301), wk = 0.0034364 k( 161) = ( 0.0951616 -0.0814173 -0.1899410), wk = 0.0034364 k( 162) = ( 0.1024817 -0.0876802 -0.2045518), wk = 0.0034364 k( 163) = ( 0.1098019 -0.0939431 -0.2191627), wk = 0.0034364 k( 164) = ( 0.1171220 -0.1002059 -0.2337735), wk = 0.0034364 k( 165) = ( 0.1244421 -0.1064688 -0.2483843), wk = 0.0034364 k( 166) = ( 0.1317622 -0.1127317 -0.2629952), wk = 0.0034364 k( 167) = ( 0.1390823 -0.1189946 -0.2776060), wk = 0.0034364 k( 168) = ( 0.1464025 -0.1252574 -0.2922169), wk = 0.0034364 k( 169) = ( 0.1537226 -0.1315203 -0.3068277), wk = 0.0034364 k( 170) = ( 0.1610427 -0.1377832 -0.3214386), wk = 0.0034364 k( 171) = ( 0.1683628 -0.1440460 -0.3360494), wk = 0.0034364 k( 172) = ( 0.1756830 -0.1503089 -0.3506602), wk = 0.0034364 k( 173) = ( 0.1830031 -0.1565718 -0.3652711), wk = 0.0034364 k( 174) = ( 0.1903232 -0.1628347 -0.3798819), wk = 0.0034364 k( 175) = ( 0.1976433 -0.1690975 -0.3944928), wk = 0.0034364 k( 176) = ( 0.2049634 -0.1753604 -0.4091036), wk = 0.0034364 k( 177) = ( 0.2122836 -0.1816233 -0.4237145), wk = 0.0034364 k( 178) = ( 0.2196037 -0.1878861 -0.4383253), wk = 0.0034364 k( 179) = ( 0.2269238 -0.1941490 -0.4529362), wk = 0.0034364 k( 180) = ( 0.2342439 -0.2004119 -0.4675470), wk = 0.0034364 k( 181) = ( 0.2415641 -0.2066748 -0.4821578), wk = 0.0034364 k( 182) = ( 0.2488842 -0.2129376 -0.4967687), wk = 0.0034364 k( 183) = ( 0.2562043 -0.2192005 -0.5113795), wk = 0.0034364 k( 184) = ( 0.2635244 -0.2254634 -0.5259904), wk = 0.0034364 k( 185) = ( 0.2708446 -0.2317262 -0.5406012), wk = 0.0034364 k( 186) = ( 0.2781647 -0.2379891 -0.5552121), wk = 0.0034364 k( 187) = ( 0.2854848 -0.2442520 -0.5698229), wk = 0.0034364 k( 188) = ( 0.2928049 -0.2505149 -0.5844337), wk = 0.0034364 k( 189) = ( 0.3001251 -0.2567777 -0.5990446), wk = 0.0034364 k( 190) = ( 0.3074452 -0.2630406 -0.6136554), wk = 0.0034364 k( 191) = ( 0.3147653 -0.2693035 -0.6282663), wk = 0.0034364 k( 192) = ( 0.3220854 -0.2755664 -0.6428771), wk = 0.0034364 k( 193) = ( 0.3294055 -0.2818292 -0.6574880), wk = 0.0034364 k( 194) = ( 0.3367257 -0.2880921 -0.6720988), wk = 0.0034364 k( 195) = ( 0.3440458 -0.2943550 -0.6867097), wk = 0.0034364 k( 196) = ( 0.3513659 -0.3006178 -0.7013205), wk = 0.0034364 k( 197) = ( 0.3586860 -0.3068807 -0.7159313), wk = 0.0034364 k( 198) = ( 0.6413140 -0.0766382 -0.5641206), wk = 0.0034364 k( 199) = ( 0.6342483 -0.0612942 -0.5641206), wk = 0.0034364 k( 200) = ( 0.6271826 -0.0459501 -0.5641206), wk = 0.0034364 k( 201) = ( 0.6201169 -0.0306061 -0.5641206), wk = 0.0034364 k( 202) = ( 0.6130512 -0.0152621 -0.5641206), wk = 0.0034364 k( 203) = ( 0.6059855 0.0000820 -0.5641206), wk = 0.0034364 k( 204) = ( 0.5989198 0.0154260 -0.5641206), wk = 0.0034364 k( 205) = ( 0.5918541 0.0307700 -0.5641206), wk = 0.0034364 k( 206) = ( 0.5847884 0.0461141 -0.5641206), wk = 0.0034364 k( 207) = ( 0.5777227 0.0614581 -0.5641206), wk = 0.0034364 k( 208) = ( 0.5706570 0.0768022 -0.5641206), wk = 0.0034364 k( 209) = ( 0.5635913 0.0921462 -0.5641206), wk = 0.0034364 k( 210) = ( 0.5565256 0.1074902 -0.5641206), wk = 0.0034364 k( 211) = ( 0.5494599 0.1228343 -0.5641206), wk = 0.0034364 k( 212) = ( 0.5423942 0.1381783 -0.5641206), wk = 0.0034364 k( 213) = ( 0.5353285 0.1535223 -0.5641206), wk = 0.0034364 k( 214) = ( 0.5282628 0.1688664 -0.5641206), wk = 0.0034364 k( 215) = ( 0.5211971 0.1842104 -0.5641206), wk = 0.0034364 k( 216) = ( 0.5141314 0.1995544 -0.5641206), wk = 0.0034364 k( 217) = ( 0.5070657 0.2148985 -0.5641206), wk = 0.0034364 k( 218) = ( 0.5000000 0.2302425 -0.5641206), wk = 0.0034364 k( 219) = ( 0.5000000 0.2302425 -0.5641206), wk = 0.0034364 k( 220) = ( 0.5108703 0.2352481 -0.5524429), wk = 0.0034364 k( 221) = ( 0.5217406 0.2402537 -0.5407651), wk = 0.0034364 k( 222) = ( 0.5326109 0.2452593 -0.5290874), wk = 0.0034364 k( 223) = ( 0.5434812 0.2502650 -0.5174097), wk = 0.0034364 k( 224) = ( 0.5543515 0.2552706 -0.5057319), wk = 0.0034364 k( 225) = ( 0.5652218 0.2602762 -0.4940542), wk = 0.0034364 k( 226) = ( 0.5760921 0.2652818 -0.4823764), wk = 0.0034364 k( 227) = ( 0.5869624 0.2702874 -0.4706987), wk = 0.0034364 k( 228) = ( 0.5978328 0.2752930 -0.4590209), wk = 0.0034364 k( 229) = ( 0.6087031 0.2802986 -0.4473432), wk = 0.0034364 k( 230) = ( 0.6195734 0.2853042 -0.4356654), wk = 0.0034364 k( 231) = ( 0.6304437 0.2903099 -0.4239877), wk = 0.0034364 k( 232) = ( 0.6413140 0.2953155 -0.4123100), wk = 0.0034364 k( 233) = ( 0.6413140 0.2953155 -0.4123100), wk = 0.0034364 k( 234) = ( 0.6371577 0.2934016 -0.3957182), wk = 0.0034364 k( 235) = ( 0.6330014 0.2914876 -0.3791264), wk = 0.0034364 k( 236) = ( 0.6288451 0.2895737 -0.3625346), wk = 0.0034364 k( 237) = ( 0.6246888 0.2876598 -0.3459428), wk = 0.0034364 k( 238) = ( 0.6205325 0.2857459 -0.3293510), wk = 0.0034364 k( 239) = ( 0.6163762 0.2838320 -0.3127593), wk = 0.0034364 k( 240) = ( 0.6122199 0.2819181 -0.2961675), wk = 0.0034364 k( 241) = ( 0.6080636 0.2800042 -0.2795757), wk = 0.0034364 k( 242) = ( 0.6039073 0.2780903 -0.2629839), wk = 0.0034364 k( 243) = ( 0.5997510 0.2761764 -0.2463921), wk = 0.0034364 k( 244) = ( 0.5955947 0.2742624 -0.2298003), wk = 0.0034364 k( 245) = ( 0.5914384 0.2723485 -0.2132086), wk = 0.0034364 k( 246) = ( 0.5872822 0.2704346 -0.1966168), wk = 0.0034364 k( 247) = ( 0.5831259 0.2685207 -0.1800250), wk = 0.0034364 k( 248) = ( 0.5789696 0.2666068 -0.1634332), wk = 0.0034364 k( 249) = ( 0.5748133 0.2646929 -0.1468414), wk = 0.0034364 k( 250) = ( 0.5706570 0.2627790 -0.1302496), wk = 0.0034364 k( 251) = ( 0.5665007 0.2608651 -0.1136578), wk = 0.0034364 k( 252) = ( 0.5623444 0.2589512 -0.0970661), wk = 0.0034364 k( 253) = ( 0.5581881 0.2570373 -0.0804743), wk = 0.0034364 k( 254) = ( 0.5540318 0.2551233 -0.0638825), wk = 0.0034364 k( 255) = ( 0.5498755 0.2532094 -0.0472907), wk = 0.0034364 k( 256) = ( 0.5457192 0.2512955 -0.0306989), wk = 0.0034364 k( 257) = ( 0.5415629 0.2493816 -0.0141071), wk = 0.0034364 k( 258) = ( 0.5374066 0.2474677 0.0024846), wk = 0.0034364 k( 259) = ( 0.5332503 0.2455538 0.0190764), wk = 0.0034364 k( 260) = ( 0.5290940 0.2436399 0.0356682), wk = 0.0034364 k( 261) = ( 0.5249378 0.2417260 0.0522600), wk = 0.0034364 k( 262) = ( 0.5207815 0.2398121 0.0688518), wk = 0.0034364 k( 263) = ( 0.5166252 0.2378981 0.0854436), wk = 0.0034364 k( 264) = ( 0.5124689 0.2359842 0.1020353), wk = 0.0034364 k( 265) = ( 0.5083126 0.2340703 0.1186271), wk = 0.0034364 k( 266) = ( 0.5041563 0.2321564 0.1352189), wk = 0.0034364 k( 267) = ( 0.5000000 0.2302425 0.1518107), wk = 0.0034364 k( 268) = ( 0.5000000 -0.4277846 -0.2820603), wk = 0.0034364 k( 269) = ( 0.5122882 -0.4177741 -0.2754599), wk = 0.0034364 k( 270) = ( 0.5245763 -0.4077635 -0.2688594), wk = 0.0034364 k( 271) = ( 0.5368645 -0.3977530 -0.2622589), wk = 0.0034364 k( 272) = ( 0.5491527 -0.3877424 -0.2556585), wk = 0.0034364 k( 273) = ( 0.5614409 -0.3777319 -0.2490580), wk = 0.0034364 k( 274) = ( 0.5737290 -0.3677213 -0.2424575), wk = 0.0034364 k( 275) = ( 0.5860172 -0.3577108 -0.2358571), wk = 0.0034364 k( 276) = ( 0.5983054 -0.3477002 -0.2292566), wk = 0.0034364 k( 277) = ( 0.6105935 -0.3376897 -0.2226561), wk = 0.0034364 k( 278) = ( 0.6228817 -0.3276792 -0.2160557), wk = 0.0034364 k( 279) = ( 0.6351699 -0.3176686 -0.2094552), wk = 0.0034364 k( 280) = ( 0.6474581 -0.3076581 -0.2028547), wk = 0.0034364 k( 281) = ( 0.6597462 -0.2976475 -0.1962543), wk = 0.0034364 k( 282) = ( 0.6720344 -0.2876370 -0.1896538), wk = 0.0034364 k( 283) = ( 0.6843226 -0.2776264 -0.1830534), wk = 0.0034364 k( 284) = ( 0.6966107 -0.2676159 -0.1764529), wk = 0.0034364 k( 285) = ( 0.7088989 -0.2576054 -0.1698524), wk = 0.0034364 k( 286) = ( 0.7211871 -0.2475948 -0.1632520), wk = 0.0034364 k( 287) = ( 0.7334753 -0.2375843 -0.1566515), wk = 0.0034364 k( 288) = ( 0.7457634 -0.2275737 -0.1500510), wk = 0.0034364 k( 289) = ( 0.7580516 -0.2175632 -0.1434506), wk = 0.0034364 k( 290) = ( 0.7703398 -0.2075526 -0.1368501), wk = 0.0034364 k( 291) = ( 0.7826279 -0.1975421 -0.1302496), wk = 0.0034364 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364 k( 2) = ( 0.0121951 -0.0000000 0.0000000), wk = 0.0034364 k( 3) = ( 0.0243902 -0.0000000 0.0000000), wk = 0.0034364 k( 4) = ( 0.0365854 0.0000000 0.0000000), wk = 0.0034364 k( 5) = ( 0.0487805 0.0000000 0.0000000), wk = 0.0034364 k( 6) = ( 0.0609756 0.0000000 0.0000000), wk = 0.0034364 k( 7) = ( 0.0731707 -0.0000000 0.0000000), wk = 0.0034364 k( 8) = ( 0.0853658 0.0000000 -0.0000000), wk = 0.0034364 k( 9) = ( 0.0975610 0.0000000 0.0000000), wk = 0.0034364 k( 10) = ( 0.1097561 0.0000000 0.0000000), wk = 0.0034364 k( 11) = ( 0.1219512 0.0000000 0.0000000), wk = 0.0034364 k( 12) = ( 0.1341463 0.0000000 -0.0000000), wk = 0.0034364 k( 13) = ( 0.1463415 -0.0000000 0.0000000), wk = 0.0034364 k( 14) = ( 0.1585366 0.0000000 0.0000000), wk = 0.0034364 k( 15) = ( 0.1707317 -0.0000000 -0.0000000), wk = 0.0034364 k( 16) = ( 0.1829268 0.0000000 0.0000000), wk = 0.0034364 k( 17) = ( 0.1951219 0.0000000 0.0000000), wk = 0.0034364 k( 18) = ( 0.2073171 0.0000000 0.0000000), wk = 0.0034364 k( 19) = ( 0.2195122 0.0000000 0.0000000), wk = 0.0034364 k( 20) = ( 0.2317073 0.0000000 0.0000000), wk = 0.0034364 k( 21) = ( 0.2439024 0.0000000 0.0000000), wk = 0.0034364 k( 22) = ( 0.2560976 0.0000000 -0.0000000), wk = 0.0034364 k( 23) = ( 0.2682927 0.0000000 -0.0000000), wk = 0.0034364 k( 24) = ( 0.2804878 0.0000000 0.0000000), wk = 0.0034364 k( 25) = ( 0.2926829 0.0000000 0.0000000), wk = 0.0034364 k( 26) = ( 0.3048781 -0.0000000 0.0000000), wk = 0.0034364 k( 27) = ( 0.3170732 0.0000000 0.0000000), wk = 0.0034364 k( 28) = ( 0.3292683 -0.0000000 0.0000000), wk = 0.0034364 k( 29) = ( 0.3414634 0.0000000 0.0000000), wk = 0.0034364 k( 30) = ( 0.3536585 0.0000000 0.0000000), wk = 0.0034364 k( 31) = ( 0.3658537 0.0000000 0.0000000), wk = 0.0034364 k( 32) = ( 0.3780488 -0.0000000 -0.0000000), wk = 0.0034364 k( 33) = ( 0.3902439 0.0000000 0.0000000), wk = 0.0034364 k( 34) = ( 0.4024390 -0.0000000 -0.0000000), wk = 0.0034364 k( 35) = ( 0.4146341 0.0000000 0.0000000), wk = 0.0034364 k( 36) = ( 0.4268293 -0.0000000 0.0000000), wk = 0.0034364 k( 37) = ( 0.4390244 0.0000000 0.0000000), wk = 0.0034364 k( 38) = ( 0.4512195 -0.0000000 -0.0000000), wk = 0.0034364 k( 39) = ( 0.4634146 0.0000000 0.0000000), wk = 0.0034364 k( 40) = ( 0.4756098 -0.0000000 0.0000000), wk = 0.0034364 k( 41) = ( 0.4878049 0.0000000 0.0000000), wk = 0.0034364 k( 42) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034364 k( 43) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034364 k( 44) = ( 0.5000000 0.0072457 -0.0072457), wk = 0.0034364 k( 45) = ( 0.5000000 0.0144915 -0.0144915), wk = 0.0034364 k( 46) = ( 0.5000000 0.0217372 -0.0217372), wk = 0.0034364 k( 47) = ( 0.5000000 0.0289829 -0.0289829), wk = 0.0034364 k( 48) = ( 0.5000000 0.0362287 -0.0362287), wk = 0.0034364 k( 49) = ( 0.5000000 0.0434744 -0.0434744), wk = 0.0034364 k( 50) = ( 0.5000000 0.0507202 -0.0507202), wk = 0.0034364 k( 51) = ( 0.5000000 0.0579659 -0.0579659), wk = 0.0034364 k( 52) = ( 0.5000000 0.0652116 -0.0652116), wk = 0.0034364 k( 53) = ( 0.5000000 0.0724573 -0.0724574), wk = 0.0034364 k( 54) = ( 0.5000000 0.0797031 -0.0797031), wk = 0.0034364 k( 55) = ( 0.5000000 0.0869488 -0.0869488), wk = 0.0034364 k( 56) = ( 0.5000000 0.0941946 -0.0941946), wk = 0.0034364 k( 57) = ( 0.5000000 0.1014403 -0.1014403), wk = 0.0034364 k( 58) = ( 0.5000000 0.1086860 -0.1086860), wk = 0.0034364 k( 59) = ( 0.5000000 0.1159318 -0.1159318), wk = 0.0034364 k( 60) = ( 0.5000000 0.1231775 -0.1231775), wk = 0.0034364 k( 61) = ( 0.5000000 0.1304232 -0.1304232), wk = 0.0034364 k( 62) = ( 0.5000000 0.1376690 -0.1376690), wk = 0.0034364 k( 63) = ( 0.5000000 0.1449147 -0.1449147), wk = 0.0034364 k( 64) = ( 0.5000000 0.1521605 -0.1521605), wk = 0.0034364 k( 65) = ( 0.5000000 0.1594062 -0.1594062), wk = 0.0034364 k( 66) = ( 0.5000000 0.1666519 -0.1666519), wk = 0.0034364 k( 67) = ( 0.5000000 0.1738976 -0.1738976), wk = 0.0034364 k( 68) = ( 0.5000000 0.1811434 -0.1811434), wk = 0.0034364 k( 69) = ( 0.5000000 0.1883891 -0.1883891), wk = 0.0034364 k( 70) = ( 0.5000000 0.1956349 -0.1956349), wk = 0.0034364 k( 71) = ( 0.5000000 0.2028806 -0.2028806), wk = 0.0034364 k( 72) = ( 0.5000000 0.2101263 -0.2101263), wk = 0.0034364 k( 73) = ( 0.5000000 0.2173721 -0.2173721), wk = 0.0034364 k( 74) = ( 0.7826279 0.5000000 0.2173721), wk = 0.0034364 k( 75) = ( 0.7753811 0.5000000 0.2246189), wk = 0.0034364 k( 76) = ( 0.7681342 0.5000000 0.2318658), wk = 0.0034364 k( 77) = ( 0.7608873 0.5000000 0.2391127), wk = 0.0034364 k( 78) = ( 0.7536405 0.5000000 0.2463595), wk = 0.0034364 k( 79) = ( 0.7463936 0.5000000 0.2536064), wk = 0.0034364 k( 80) = ( 0.7391467 0.5000000 0.2608533), wk = 0.0034364 k( 81) = ( 0.7318998 0.5000000 0.2681002), wk = 0.0034364 k( 82) = ( 0.7246530 0.5000000 0.2753470), wk = 0.0034364 k( 83) = ( 0.7174061 0.5000000 0.2825939), wk = 0.0034364 k( 84) = ( 0.7101592 0.5000000 0.2898408), wk = 0.0034364 k( 85) = ( 0.7029124 0.5000000 0.2970876), wk = 0.0034364 k( 86) = ( 0.6956655 0.5000000 0.3043345), wk = 0.0034364 k( 87) = ( 0.6884186 0.5000000 0.3115814), wk = 0.0034364 k( 88) = ( 0.6811717 0.5000000 0.3188283), wk = 0.0034364 k( 89) = ( 0.6739249 0.5000000 0.3260751), wk = 0.0034364 k( 90) = ( 0.6666780 0.5000000 0.3333220), wk = 0.0034364 k( 91) = ( 0.6594311 0.5000000 0.3405689), wk = 0.0034364 k( 92) = ( 0.6521843 0.5000000 0.3478157), wk = 0.0034364 k( 93) = ( 0.6449374 0.5000000 0.3550626), wk = 0.0034364 k( 94) = ( 0.6376905 0.5000000 0.3623095), wk = 0.0034364 k( 95) = ( 0.6304437 0.5000000 0.3695563), wk = 0.0034364 k( 96) = ( 0.6231968 0.5000000 0.3768032), wk = 0.0034364 k( 97) = ( 0.6159499 0.5000000 0.3840501), wk = 0.0034364 k( 98) = ( 0.6087031 0.5000000 0.3912969), wk = 0.0034364 k( 99) = ( 0.6014562 0.5000000 0.3985438), wk = 0.0034364 k( 100) = ( 0.5942093 0.5000000 0.4057907), wk = 0.0034364 k( 101) = ( 0.5869624 0.5000000 0.4130376), wk = 0.0034364 k( 102) = ( 0.5797156 0.5000000 0.4202844), wk = 0.0034364 k( 103) = ( 0.5724687 0.5000000 0.4275313), wk = 0.0034364 k( 104) = ( 0.5652218 0.5000000 0.4347782), wk = 0.0034364 k( 105) = ( 0.5579750 0.5000000 0.4420250), wk = 0.0034364 k( 106) = ( 0.5507281 0.5000000 0.4492719), wk = 0.0034364 k( 107) = ( 0.5434812 0.5000000 0.4565188), wk = 0.0034364 k( 108) = ( 0.5362343 0.5000000 0.4637656), wk = 0.0034364 k( 109) = ( 0.5289875 0.5000000 0.4710125), wk = 0.0034364 k( 110) = ( 0.5217406 0.5000000 0.4782594), wk = 0.0034364 k( 111) = ( 0.5144937 0.5000000 0.4855063), wk = 0.0034364 k( 112) = ( 0.5072469 0.5000000 0.4927531), wk = 0.0034364 k( 113) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034364 k( 114) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034364 k( 115) = ( 0.4848485 0.4848485 0.4848485), wk = 0.0034364 k( 116) = ( 0.4696970 0.4696970 0.4696970), wk = 0.0034364 k( 117) = ( 0.4545455 0.4545455 0.4545455), wk = 0.0034364 k( 118) = ( 0.4393939 0.4393939 0.4393939), wk = 0.0034364 k( 119) = ( 0.4242424 0.4242424 0.4242424), wk = 0.0034364 k( 120) = ( 0.4090909 0.4090909 0.4090909), wk = 0.0034364 k( 121) = ( 0.3939394 0.3939394 0.3939394), wk = 0.0034364 k( 122) = ( 0.3787879 0.3787879 0.3787879), wk = 0.0034364 k( 123) = ( 0.3636364 0.3636364 0.3636364), wk = 0.0034364 k( 124) = ( 0.3484849 0.3484849 0.3484849), wk = 0.0034364 k( 125) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0034364 k( 126) = ( 0.3181818 0.3181818 0.3181818), wk = 0.0034364 k( 127) = ( 0.3030303 0.3030303 0.3030303), wk = 0.0034364 k( 128) = ( 0.2878788 0.2878788 0.2878788), wk = 0.0034364 k( 129) = ( 0.2727273 0.2727273 0.2727273), wk = 0.0034364 k( 130) = ( 0.2575758 0.2575758 0.2575758), wk = 0.0034364 k( 131) = ( 0.2424242 0.2424242 0.2424242), wk = 0.0034364 k( 132) = ( 0.2272727 0.2272727 0.2272727), wk = 0.0034364 k( 133) = ( 0.2121212 0.2121212 0.2121212), wk = 0.0034364 k( 134) = ( 0.1969697 0.1969697 0.1969697), wk = 0.0034364 k( 135) = ( 0.1818182 0.1818182 0.1818182), wk = 0.0034364 k( 136) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0034364 k( 137) = ( 0.1515151 0.1515151 0.1515151), wk = 0.0034364 k( 138) = ( 0.1363636 0.1363636 0.1363636), wk = 0.0034364 k( 139) = ( 0.1212121 0.1212121 0.1212121), wk = 0.0034364 k( 140) = ( 0.1060606 0.1060606 0.1060606), wk = 0.0034364 k( 141) = ( 0.0909091 0.0909091 0.0909091), wk = 0.0034364 k( 142) = ( 0.0757576 0.0757576 0.0757576), wk = 0.0034364 k( 143) = ( 0.0606061 0.0606061 0.0606061), wk = 0.0034364 k( 144) = ( 0.0454546 0.0454546 0.0454546), wk = 0.0034364 k( 145) = ( 0.0303030 0.0303030 0.0303030), wk = 0.0034364 k( 146) = ( 0.0151515 0.0151515 0.0151515), wk = 0.0034364 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364 k( 148) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364 k( 149) = ( 0.0073201 -0.0000000 -0.0073201), wk = 0.0034364 k( 150) = ( 0.0146403 0.0000000 -0.0146403), wk = 0.0034364 k( 151) = ( 0.0219604 0.0000000 -0.0219604), wk = 0.0034364 k( 152) = ( 0.0292805 -0.0000000 -0.0292805), wk = 0.0034364 k( 153) = ( 0.0366006 -0.0000000 -0.0366006), wk = 0.0034364 k( 154) = ( 0.0439207 0.0000000 -0.0439207), wk = 0.0034364 k( 155) = ( 0.0512409 0.0000000 -0.0512409), wk = 0.0034364 k( 156) = ( 0.0585610 -0.0000000 -0.0585610), wk = 0.0034364 k( 157) = ( 0.0658811 0.0000000 -0.0658811), wk = 0.0034364 k( 158) = ( 0.0732012 0.0000000 -0.0732012), wk = 0.0034364 k( 159) = ( 0.0805214 0.0000000 -0.0805214), wk = 0.0034364 k( 160) = ( 0.0878415 0.0000000 -0.0878415), wk = 0.0034364 k( 161) = ( 0.0951616 -0.0000000 -0.0951616), wk = 0.0034364 k( 162) = ( 0.1024817 0.0000000 -0.1024817), wk = 0.0034364 k( 163) = ( 0.1098019 -0.0000000 -0.1098019), wk = 0.0034364 k( 164) = ( 0.1171220 -0.0000000 -0.1171220), wk = 0.0034364 k( 165) = ( 0.1244421 0.0000000 -0.1244421), wk = 0.0034364 k( 166) = ( 0.1317622 0.0000000 -0.1317622), wk = 0.0034364 k( 167) = ( 0.1390823 -0.0000000 -0.1390823), wk = 0.0034364 k( 168) = ( 0.1464025 0.0000000 -0.1464025), wk = 0.0034364 k( 169) = ( 0.1537226 0.0000000 -0.1537226), wk = 0.0034364 k( 170) = ( 0.1610427 -0.0000000 -0.1610427), wk = 0.0034364 k( 171) = ( 0.1683628 0.0000000 -0.1683628), wk = 0.0034364 k( 172) = ( 0.1756830 -0.0000000 -0.1756830), wk = 0.0034364 k( 173) = ( 0.1830031 -0.0000000 -0.1830031), wk = 0.0034364 k( 174) = ( 0.1903232 -0.0000000 -0.1903232), wk = 0.0034364 k( 175) = ( 0.1976433 0.0000000 -0.1976433), wk = 0.0034364 k( 176) = ( 0.2049634 0.0000000 -0.2049634), wk = 0.0034364 k( 177) = ( 0.2122836 0.0000000 -0.2122836), wk = 0.0034364 k( 178) = ( 0.2196037 0.0000000 -0.2196037), wk = 0.0034364 k( 179) = ( 0.2269238 -0.0000000 -0.2269238), wk = 0.0034364 k( 180) = ( 0.2342439 -0.0000000 -0.2342439), wk = 0.0034364 k( 181) = ( 0.2415641 -0.0000000 -0.2415641), wk = 0.0034364 k( 182) = ( 0.2488842 -0.0000000 -0.2488842), wk = 0.0034364 k( 183) = ( 0.2562043 -0.0000000 -0.2562043), wk = 0.0034364 k( 184) = ( 0.2635244 0.0000000 -0.2635244), wk = 0.0034364 k( 185) = ( 0.2708446 0.0000000 -0.2708446), wk = 0.0034364 k( 186) = ( 0.2781647 -0.0000000 -0.2781647), wk = 0.0034364 k( 187) = ( 0.2854848 -0.0000000 -0.2854848), wk = 0.0034364 k( 188) = ( 0.2928049 0.0000000 -0.2928049), wk = 0.0034364 k( 189) = ( 0.3001251 0.0000000 -0.3001250), wk = 0.0034364 k( 190) = ( 0.3074452 0.0000000 -0.3074452), wk = 0.0034364 k( 191) = ( 0.3147653 -0.0000000 -0.3147653), wk = 0.0034364 k( 192) = ( 0.3220854 -0.0000000 -0.3220854), wk = 0.0034364 k( 193) = ( 0.3294055 0.0000000 -0.3294055), wk = 0.0034364 k( 194) = ( 0.3367257 0.0000000 -0.3367257), wk = 0.0034364 k( 195) = ( 0.3440458 0.0000000 -0.3440458), wk = 0.0034364 k( 196) = ( 0.3513659 -0.0000000 -0.3513659), wk = 0.0034364 k( 197) = ( 0.3586860 0.0000000 -0.3586860), wk = 0.0034364 k( 198) = ( 0.6413140 0.3586860 -0.0000000), wk = 0.0034364 k( 199) = ( 0.6342483 0.3657517 0.0000000), wk = 0.0034364 k( 200) = ( 0.6271826 0.3728174 -0.0000000), wk = 0.0034364 k( 201) = ( 0.6201169 0.3798831 0.0000000), wk = 0.0034364 k( 202) = ( 0.6130512 0.3869488 -0.0000000), wk = 0.0034364 k( 203) = ( 0.6059855 0.3940145 0.0000000), wk = 0.0034364 k( 204) = ( 0.5989198 0.4010802 0.0000000), wk = 0.0034364 k( 205) = ( 0.5918541 0.4081459 -0.0000000), wk = 0.0034364 k( 206) = ( 0.5847884 0.4152116 -0.0000000), wk = 0.0034364 k( 207) = ( 0.5777227 0.4222773 0.0000000), wk = 0.0034364 k( 208) = ( 0.5706570 0.4293430 0.0000000), wk = 0.0034364 k( 209) = ( 0.5635913 0.4364087 -0.0000000), wk = 0.0034364 k( 210) = ( 0.5565256 0.4434744 0.0000000), wk = 0.0034364 k( 211) = ( 0.5494599 0.4505401 -0.0000000), wk = 0.0034364 k( 212) = ( 0.5423942 0.4576058 0.0000000), wk = 0.0034364 k( 213) = ( 0.5353285 0.4646715 0.0000000), wk = 0.0034364 k( 214) = ( 0.5282628 0.4717372 -0.0000000), wk = 0.0034364 k( 215) = ( 0.5211971 0.4788029 0.0000000), wk = 0.0034364 k( 216) = ( 0.5141314 0.4858686 -0.0000000), wk = 0.0034364 k( 217) = ( 0.5070657 0.4929343 -0.0000000), wk = 0.0034364 k( 218) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0034364 k( 219) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0034364 k( 220) = ( 0.5108703 0.5108703 0.0167209), wk = 0.0034364 k( 221) = ( 0.5217406 0.5217406 0.0334419), wk = 0.0034364 k( 222) = ( 0.5326109 0.5326109 0.0501628), wk = 0.0034364 k( 223) = ( 0.5434812 0.5434812 0.0668837), wk = 0.0034364 k( 224) = ( 0.5543515 0.5543515 0.0836046), wk = 0.0034364 k( 225) = ( 0.5652218 0.5652218 0.1003256), wk = 0.0034364 k( 226) = ( 0.5760921 0.5760921 0.1170465), wk = 0.0034364 k( 227) = ( 0.5869624 0.5869624 0.1337674), wk = 0.0034364 k( 228) = ( 0.5978328 0.5978328 0.1504883), wk = 0.0034364 k( 229) = ( 0.6087031 0.6087031 0.1672093), wk = 0.0034364 k( 230) = ( 0.6195734 0.6195734 0.1839302), wk = 0.0034364 k( 231) = ( 0.6304437 0.6304437 0.2006511), wk = 0.0034364 k( 232) = ( 0.6413140 0.6413140 0.2173721), wk = 0.0034364 k( 233) = ( 0.6413140 0.6413140 0.2173721), wk = 0.0034364 k( 234) = ( 0.6371577 0.6371577 0.2256846), wk = 0.0034364 k( 235) = ( 0.6330014 0.6330014 0.2339972), wk = 0.0034364 k( 236) = ( 0.6288451 0.6288451 0.2423098), wk = 0.0034364 k( 237) = ( 0.6246888 0.6246888 0.2506224), wk = 0.0034364 k( 238) = ( 0.6205325 0.6205325 0.2589350), wk = 0.0034364 k( 239) = ( 0.6163762 0.6163762 0.2672476), wk = 0.0034364 k( 240) = ( 0.6122199 0.6122199 0.2755602), wk = 0.0034364 k( 241) = ( 0.6080636 0.6080636 0.2838728), wk = 0.0034364 k( 242) = ( 0.6039073 0.6039073 0.2921853), wk = 0.0034364 k( 243) = ( 0.5997510 0.5997510 0.3004979), wk = 0.0034364 k( 244) = ( 0.5955947 0.5955947 0.3088105), wk = 0.0034364 k( 245) = ( 0.5914384 0.5914384 0.3171231), wk = 0.0034364 k( 246) = ( 0.5872822 0.5872822 0.3254357), wk = 0.0034364 k( 247) = ( 0.5831259 0.5831259 0.3337483), wk = 0.0034364 k( 248) = ( 0.5789696 0.5789696 0.3420609), wk = 0.0034364 k( 249) = ( 0.5748133 0.5748133 0.3503734), wk = 0.0034364 k( 250) = ( 0.5706570 0.5706570 0.3586860), wk = 0.0034364 k( 251) = ( 0.5665007 0.5665007 0.3669986), wk = 0.0034364 k( 252) = ( 0.5623444 0.5623444 0.3753112), wk = 0.0034364 k( 253) = ( 0.5581881 0.5581881 0.3836238), wk = 0.0034364 k( 254) = ( 0.5540318 0.5540318 0.3919364), wk = 0.0034364 k( 255) = ( 0.5498755 0.5498755 0.4002490), wk = 0.0034364 k( 256) = ( 0.5457192 0.5457192 0.4085615), wk = 0.0034364 k( 257) = ( 0.5415629 0.5415629 0.4168741), wk = 0.0034364 k( 258) = ( 0.5374066 0.5374066 0.4251867), wk = 0.0034364 k( 259) = ( 0.5332503 0.5332503 0.4334993), wk = 0.0034364 k( 260) = ( 0.5290940 0.5290940 0.4418119), wk = 0.0034364 k( 261) = ( 0.5249378 0.5249378 0.4501245), wk = 0.0034364 k( 262) = ( 0.5207815 0.5207815 0.4584371), wk = 0.0034364 k( 263) = ( 0.5166252 0.5166252 0.4667497), wk = 0.0034364 k( 264) = ( 0.5124689 0.5124689 0.4750622), wk = 0.0034364 k( 265) = ( 0.5083126 0.5083126 0.4833748), wk = 0.0034364 k( 266) = ( 0.5041563 0.5041563 0.4916874), wk = 0.0034364 k( 267) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034364 k( 268) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034364 k( 269) = ( 0.5122882 0.0155950 0.0155950), wk = 0.0034364 k( 270) = ( 0.5245763 0.0311901 0.0311901), wk = 0.0034364 k( 271) = ( 0.5368645 0.0467851 0.0467851), wk = 0.0034364 k( 272) = ( 0.5491527 0.0623802 0.0623802), wk = 0.0034364 k( 273) = ( 0.5614409 0.0779752 0.0779752), wk = 0.0034364 k( 274) = ( 0.5737290 0.0935703 0.0935703), wk = 0.0034364 k( 275) = ( 0.5860172 0.1091653 0.1091653), wk = 0.0034364 k( 276) = ( 0.5983054 0.1247604 0.1247604), wk = 0.0034364 k( 277) = ( 0.6105935 0.1403554 0.1403554), wk = 0.0034364 k( 278) = ( 0.6228817 0.1559504 0.1559504), wk = 0.0034364 k( 279) = ( 0.6351699 0.1715455 0.1715455), wk = 0.0034364 k( 280) = ( 0.6474581 0.1871405 0.1871405), wk = 0.0034364 k( 281) = ( 0.6597462 0.2027356 0.2027356), wk = 0.0034364 k( 282) = ( 0.6720344 0.2183306 0.2183306), wk = 0.0034364 k( 283) = ( 0.6843226 0.2339257 0.2339257), wk = 0.0034364 k( 284) = ( 0.6966107 0.2495207 0.2495207), wk = 0.0034364 k( 285) = ( 0.7088989 0.2651158 0.2651158), wk = 0.0034364 k( 286) = ( 0.7211871 0.2807108 0.2807108), wk = 0.0034364 k( 287) = ( 0.7334753 0.2963058 0.2963058), wk = 0.0034364 k( 288) = ( 0.7457634 0.3119009 0.3119009), wk = 0.0034364 k( 289) = ( 0.7580516 0.3274959 0.3274959), wk = 0.0034364 k( 290) = ( 0.7703398 0.3430910 0.3430910), wk = 0.0034364 k( 291) = ( 0.7826279 0.3586860 0.3586860), wk = 0.0034364 Dense grid: 167461 G-vectors FFT dimensions: ( 90, 90, 90) Smooth grid: 27029 G-vectors FFT dimensions: ( 48, 48, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.25 Mb ( 202, 82) NL pseudopotentials 0.28 Mb ( 101, 180) Each V/rho on FFT grid 0.37 Mb ( 24300) Each G-vector array 0.04 Mb ( 4651) G-vector shells 0.03 Mb ( 3759) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.01 Mb ( 202, 328) Each subspace H/S matrix 0.10 Mb ( 82, 82) Each matrix 0.45 Mb ( 180, 2, 82) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./VBO3.save/charge-density.dat negative rho (up, down): 1.652E-04 0.000E+00 Starting wfc are 104 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.3 secs Computing kpt #: 2 total cpu time spent up to now is 6.5 secs Computing kpt #: 3 total cpu time spent up to now is 7.5 secs Computing kpt #: 4 total cpu time spent up to now is 8.6 secs Computing kpt #: 5 total cpu time spent up to now is 9.6 secs Computing kpt #: 6 total cpu time spent up to now is 10.6 secs Computing kpt #: 7 total cpu time spent up to now is 11.6 secs Computing kpt #: 8 total cpu time spent up to now is 12.5 secs Computing kpt #: 9 total cpu time spent up to now is 13.5 secs Computing kpt #: 10 total cpu time spent up to now is 15.0 secs Computing kpt #: 11 total cpu time spent up to now is 16.7 secs Computing kpt #: 12 total cpu time spent up to now is 18.2 secs Computing kpt #: 13 total cpu time spent up to now is 19.6 secs Computing kpt #: 14 total cpu time spent up to now is 21.2 secs Computing kpt #: 15 total cpu time spent up to now is 23.6 secs Computing kpt #: 16 total cpu time spent up to now is 25.1 secs Computing kpt #: 17 total cpu time spent up to now is 26.6 secs Computing kpt #: 18 total cpu time spent up to now is 28.4 secs Computing kpt #: 19 total cpu time spent up to now is 30.7 secs Computing kpt #: 20 total cpu time spent up to now is 32.1 secs Computing kpt #: 21 total cpu time spent up to now is 34.5 secs Computing kpt #: 22 total cpu time spent up to now is 36.6 secs Computing kpt #: 23 total cpu time spent up to now is 38.9 secs Computing kpt #: 24 total cpu time spent up to now is 40.8 secs Computing kpt #: 25 total cpu time spent up to now is 41.8 secs Computing kpt #: 26 total cpu time spent up to now is 44.0 secs Computing kpt #: 27 total cpu time spent up to now is 46.3 secs Computing kpt #: 28 total cpu time spent up to now is 47.4 secs Computing kpt #: 29 total cpu time spent up to now is 48.4 secs Computing kpt #: 30 total cpu time spent up to now is 49.5 secs Computing kpt #: 31 total cpu time spent up to now is 50.6 secs Computing kpt #: 32 total cpu time spent up to now is 51.6 secs Computing kpt #: 33 total cpu time spent up to now is 52.8 secs Computing kpt #: 34 total cpu time spent up to now is 53.9 secs Computing kpt #: 35 total cpu time spent up to now is 55.1 secs Computing kpt #: 36 total cpu time spent up to now is 56.3 secs Computing kpt #: 37 total cpu time spent up to now is 57.5 secs Computing kpt #: 38 total cpu time spent up to now is 58.7 secs Computing kpt #: 39 total cpu time spent up to now is 59.9 secs Computing kpt #: 40 total cpu time spent up to now is 61.1 secs Computing kpt #: 41 total cpu time spent up to now is 62.3 secs Computing kpt #: 42 total cpu time spent up to now is 63.5 secs Computing kpt #: 43 total cpu time spent up to now is 64.7 secs Computing kpt #: 44 total cpu time spent up to now is 65.9 secs Computing kpt #: 45 total cpu time spent up to now is 67.2 secs Computing kpt #: 46 total cpu time spent up to now is 68.4 secs Computing kpt #: 47 total cpu time spent up to now is 69.7 secs Computing kpt #: 48 total cpu time spent up to now is 71.2 secs Computing kpt #: 49 total cpu time spent up to now is 72.4 secs Computing kpt #: 50 total cpu time spent up to now is 73.6 secs Computing kpt #: 51 total cpu time spent up to now is 74.8 secs Computing kpt #: 52 total cpu time spent up to now is 76.0 secs Computing kpt #: 53 total cpu time spent up to now is 77.3 secs Computing kpt #: 54 total cpu time spent up to now is 78.5 secs Computing kpt #: 55 total cpu time spent up to now is 79.7 secs Computing kpt #: 56 total cpu time spent up to now is 80.9 secs Computing kpt #: 57 total cpu time spent up to now is 82.1 secs Computing kpt #: 58 total cpu time spent up to now is 83.3 secs Computing kpt #: 59 total cpu time spent up to now is 84.6 secs Computing kpt #: 60 total cpu time spent up to now is 85.8 secs Computing kpt #: 61 total cpu time spent up to now is 87.0 secs Computing kpt #: 62 total cpu time spent up to now is 88.2 secs Computing kpt #: 63 total cpu time spent up to now is 89.4 secs Computing kpt #: 64 total cpu time spent up to now is 90.6 secs Computing kpt #: 65 total cpu time spent up to now is 91.8 secs Computing kpt #: 66 total cpu time spent up to now is 93.0 secs Computing kpt #: 67 total cpu time spent up to now is 94.2 secs Computing kpt #: 68 total cpu time spent up to now is 95.4 secs Computing kpt #: 69 total cpu time spent up to now is 96.6 secs Computing kpt #: 70 total cpu time spent up to now is 97.8 secs Computing kpt #: 71 total cpu time spent up to now is 98.9 secs Computing kpt #: 72 total cpu time spent up to now is 100.1 secs Computing kpt #: 73 total cpu time spent up to now is 101.3 secs Computing kpt #: 74 total cpu time spent up to now is 102.4 secs Computing kpt #: 75 total cpu time spent up to now is 103.6 secs Computing kpt #: 76 total cpu time spent up to now is 104.8 secs Computing kpt #: 77 total cpu time spent up to now is 106.0 secs Computing kpt #: 78 total cpu time spent up to now is 107.2 secs Computing kpt #: 79 total cpu time spent up to now is 108.3 secs Computing kpt #: 80 total cpu time spent up to now is 109.5 secs Computing kpt #: 81 total cpu time spent up to now is 110.7 secs Computing kpt #: 82 total cpu time spent up to now is 111.8 secs Computing kpt #: 83 total cpu time spent up to now is 113.0 secs Computing kpt #: 84 total cpu time spent up to now is 114.2 secs Computing kpt #: 85 total cpu time spent up to now is 115.4 secs Computing kpt #: 86 total cpu time spent up to now is 116.6 secs Computing kpt #: 87 total cpu time spent up to now is 117.9 secs Computing kpt #: 88 total cpu time spent up to now is 119.1 secs Computing kpt #: 89 total cpu time spent up to now is 120.3 secs Computing kpt #: 90 total cpu time spent up to now is 121.5 secs Computing kpt #: 91 total cpu time spent up to now is 122.7 secs Computing kpt #: 92 total cpu time spent up to now is 123.9 secs Computing kpt #: 93 total cpu time spent up to now is 125.1 secs Computing kpt #: 94 total cpu time spent up to now is 126.3 secs Computing kpt #: 95 total cpu time spent up to now is 127.5 secs Computing kpt #: 96 total cpu time spent up to now is 128.7 secs Computing kpt #: 97 total cpu time spent up to now is 129.8 secs Computing kpt #: 98 total cpu time spent up to now is 131.0 secs Computing kpt #: 99 total cpu time spent up to now is 132.2 secs Computing kpt #: 100 total cpu time spent up to now is 133.5 secs Computing kpt #: 101 total cpu time spent up to now is 134.6 secs Computing kpt #: 102 total cpu time spent up to now is 135.8 secs Computing kpt #: 103 total cpu time spent up to now is 137.4 secs Computing kpt #: 104 total cpu time spent up to now is 139.0 secs Computing kpt #: 105 total cpu time spent up to now is 140.7 secs Computing kpt #: 106 total cpu time spent up to now is 142.3 secs Computing kpt #: 107 total cpu time spent up to now is 144.0 secs Computing kpt #: 108 total cpu time spent up to now is 145.6 secs Computing kpt #: 109 total cpu time spent up to now is 147.4 secs Computing kpt #: 110 total cpu time spent up to now is 149.1 secs Computing kpt #: 111 c_bands: 6 eigenvalues not converged total cpu time spent up to now is 152.0 secs Computing kpt #: 112 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 154.8 secs Computing kpt #: 113 total cpu time spent up to now is 155.6 secs Computing kpt #: 114 total cpu time spent up to now is 156.5 secs Computing kpt #: 115 total cpu time spent up to now is 158.9 secs Computing kpt #: 116 total cpu time spent up to now is 160.5 secs Computing kpt #: 117 total cpu time spent up to now is 161.4 secs Computing kpt #: 118 total cpu time spent up to now is 163.1 secs Computing kpt #: 119 total cpu time spent up to now is 164.8 secs Computing kpt #: 120 total cpu time spent up to now is 165.8 secs Computing kpt #: 121 total cpu time spent up to now is 167.5 secs Computing kpt #: 122 total cpu time spent up to now is 169.4 secs Computing kpt #: 123 total cpu time spent up to now is 171.1 secs Computing kpt #: 124 total cpu time spent up to now is 172.0 secs Computing kpt #: 125 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 174.6 secs Computing kpt #: 126 total cpu time spent up to now is 175.5 secs Computing kpt #: 127 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 178.2 secs Computing kpt #: 128 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 180.8 secs Computing kpt #: 129 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 183.5 secs Computing kpt #: 130 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 186.1 secs Computing kpt #: 131 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 188.9 secs Computing kpt #: 132 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 191.6 secs Computing kpt #: 133 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 195.9 secs Computing kpt #: 134 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 198.5 secs Computing kpt #: 135 total cpu time spent up to now is 199.7 secs Computing kpt #: 136 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 202.3 secs Computing kpt #: 137 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 204.9 secs Computing kpt #: 138 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 207.7 secs Computing kpt #: 139 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 210.3 secs Computing kpt #: 140 total cpu time spent up to now is 211.5 secs Computing kpt #: 141 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 214.2 secs Computing kpt #: 142 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 216.8 secs Computing kpt #: 143 total cpu time spent up to now is 217.8 secs Computing kpt #: 144 total cpu time spent up to now is 218.9 secs Computing kpt #: 145 total cpu time spent up to now is 219.9 secs Computing kpt #: 146 total cpu time spent up to now is 220.9 secs Computing kpt #: 147 total cpu time spent up to now is 222.0 secs Computing kpt #: 148 total cpu time spent up to now is 223.1 secs Computing kpt #: 149 total cpu time spent up to now is 224.1 secs Computing kpt #: 150 total cpu time spent up to now is 225.2 secs Computing kpt #: 151 total cpu time spent up to now is 226.2 secs Computing kpt #: 152 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 229.0 secs Computing kpt #: 153 total cpu time spent up to now is 230.0 secs Computing kpt #: 154 total cpu time spent up to now is 232.5 secs Computing kpt #: 155 total cpu time spent up to now is 234.7 secs Computing kpt #: 156 total cpu time spent up to now is 236.9 secs Computing kpt #: 157 total cpu time spent up to now is 237.8 secs Computing kpt #: 158 total cpu time spent up to now is 239.4 secs Computing kpt #: 159 total cpu time spent up to now is 241.6 secs Computing kpt #: 160 total cpu time spent up to now is 243.2 secs Computing kpt #: 161 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 245.8 secs Computing kpt #: 162 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 248.4 secs Computing kpt #: 163 total cpu time spent up to now is 250.9 secs Computing kpt #: 164 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 253.5 secs Computing kpt #: 165 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 256.2 secs Computing kpt #: 166 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 259.0 secs Computing kpt #: 167 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 261.6 secs Computing kpt #: 168 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 264.3 secs Computing kpt #: 169 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 267.2 secs Computing kpt #: 170 total cpu time spent up to now is 269.5 secs Computing kpt #: 171 total cpu time spent up to now is 271.9 secs Computing kpt #: 172 total cpu time spent up to now is 273.1 secs Computing kpt #: 173 total cpu time spent up to now is 274.7 secs Computing kpt #: 174 total cpu time spent up to now is 275.8 secs Computing kpt #: 175 total cpu time spent up to now is 276.8 secs Computing kpt #: 176 total cpu time spent up to now is 277.9 secs Computing kpt #: 177 total cpu time spent up to now is 278.9 secs Computing kpt #: 178 total cpu time spent up to now is 281.0 secs Computing kpt #: 179 total cpu time spent up to now is 282.0 secs Computing kpt #: 180 total cpu time spent up to now is 283.0 secs Computing kpt #: 181 total cpu time spent up to now is 284.0 secs Computing kpt #: 182 total cpu time spent up to now is 285.1 secs Computing kpt #: 183 total cpu time spent up to now is 286.1 secs Computing kpt #: 184 total cpu time spent up to now is 287.1 secs Computing kpt #: 185 total cpu time spent up to now is 288.2 secs Computing kpt #: 186 total cpu time spent up to now is 289.4 secs Computing kpt #: 187 total cpu time spent up to now is 290.4 secs Computing kpt #: 188 total cpu time spent up to now is 291.4 secs Computing kpt #: 189 total cpu time spent up to now is 292.6 secs Computing kpt #: 190 total cpu time spent up to now is 293.6 secs Computing kpt #: 191 total cpu time spent up to now is 294.6 secs Computing kpt #: 192 total cpu time spent up to now is 295.7 secs Computing kpt #: 193 total cpu time spent up to now is 296.8 secs Computing kpt #: 194 total cpu time spent up to now is 298.0 secs Computing kpt #: 195 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 300.8 secs Computing kpt #: 196 total cpu time spent up to now is 301.8 secs Computing kpt #: 197 total cpu time spent up to now is 302.9 secs Computing kpt #: 198 total cpu time spent up to now is 305.2 secs Computing kpt #: 199 total cpu time spent up to now is 306.2 secs Computing kpt #: 200 total cpu time spent up to now is 307.2 secs Computing kpt #: 201 total cpu time spent up to now is 308.2 secs Computing kpt #: 202 total cpu time spent up to now is 309.2 secs Computing kpt #: 203 total cpu time spent up to now is 310.3 secs Computing kpt #: 204 total cpu time spent up to now is 311.9 secs Computing kpt #: 205 total cpu time spent up to now is 313.0 secs Computing kpt #: 206 total cpu time spent up to now is 314.1 secs Computing kpt #: 207 total cpu time spent up to now is 315.2 secs Computing kpt #: 208 total cpu time spent up to now is 316.7 secs Computing kpt #: 209 total cpu time spent up to now is 318.2 secs Computing kpt #: 210 total cpu time spent up to now is 319.7 secs Computing kpt #: 211 total cpu time spent up to now is 321.2 secs Computing kpt #: 212 total cpu time spent up to now is 322.7 secs Computing kpt #: 213 total cpu time spent up to now is 324.2 secs Computing kpt #: 214 total cpu time spent up to now is 325.7 secs Computing kpt #: 215 total cpu time spent up to now is 327.3 secs Computing kpt #: 216 total cpu time spent up to now is 328.8 secs Computing kpt #: 217 total cpu time spent up to now is 330.3 secs Computing kpt #: 218 total cpu time spent up to now is 331.8 secs Computing kpt #: 219 total cpu time spent up to now is 333.2 secs Computing kpt #: 220 total cpu time spent up to now is 334.7 secs Computing kpt #: 221 total cpu time spent up to now is 336.2 secs Computing kpt #: 222 total cpu time spent up to now is 337.7 secs Computing kpt #: 223 total cpu time spent up to now is 339.2 secs Computing kpt #: 224 total cpu time spent up to now is 340.7 secs Computing kpt #: 225 total cpu time spent up to now is 342.1 secs Computing kpt #: 226 total cpu time spent up to now is 343.6 secs Computing kpt #: 227 total cpu time spent up to now is 345.1 secs Computing kpt #: 228 total cpu time spent up to now is 346.6 secs Computing kpt #: 229 total cpu time spent up to now is 348.2 secs Computing kpt #: 230 total cpu time spent up to now is 350.0 secs Computing kpt #: 231 total cpu time spent up to now is 351.6 secs Computing kpt #: 232 total cpu time spent up to now is 353.1 secs Computing kpt #: 233 total cpu time spent up to now is 354.6 secs Computing kpt #: 234 total cpu time spent up to now is 356.1 secs Computing kpt #: 235 total cpu time spent up to now is 357.3 secs Computing kpt #: 236 total cpu time spent up to now is 358.4 secs Computing kpt #: 237 total cpu time spent up to now is 359.5 secs Computing kpt #: 238 total cpu time spent up to now is 360.6 secs Computing kpt #: 239 total cpu time spent up to now is 361.8 secs Computing kpt #: 240 total cpu time spent up to now is 362.9 secs Computing kpt #: 241 total cpu time spent up to now is 364.1 secs Computing kpt #: 242 total cpu time spent up to now is 365.2 secs Computing kpt #: 243 total cpu time spent up to now is 366.3 secs Computing kpt #: 244 total cpu time spent up to now is 367.5 secs Computing kpt #: 245 total cpu time spent up to now is 368.6 secs Computing kpt #: 246 total cpu time spent up to now is 370.0 secs Computing kpt #: 247 total cpu time spent up to now is 371.4 secs Computing kpt #: 248 total cpu time spent up to now is 372.6 secs Computing kpt #: 249 total cpu time spent up to now is 373.7 secs Computing kpt #: 250 total cpu time spent up to now is 374.9 secs Computing kpt #: 251 total cpu time spent up to now is 376.0 secs Computing kpt #: 252 total cpu time spent up to now is 377.7 secs Computing kpt #: 253 total cpu time spent up to now is 379.3 secs Computing kpt #: 254 total cpu time spent up to now is 380.4 secs Computing kpt #: 255 total cpu time spent up to now is 381.6 secs Computing kpt #: 256 total cpu time spent up to now is 383.3 secs Computing kpt #: 257 total cpu time spent up to now is 384.4 secs Computing kpt #: 258 total cpu time spent up to now is 386.0 secs Computing kpt #: 259 total cpu time spent up to now is 387.5 secs Computing kpt #: 260 total cpu time spent up to now is 389.1 secs Computing kpt #: 261 total cpu time spent up to now is 390.7 secs Computing kpt #: 262 total cpu time spent up to now is 392.3 secs Computing kpt #: 263 total cpu time spent up to now is 393.8 secs Computing kpt #: 264 total cpu time spent up to now is 395.5 secs Computing kpt #: 265 total cpu time spent up to now is 397.1 secs Computing kpt #: 266 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 399.9 secs Computing kpt #: 267 total cpu time spent up to now is 400.8 secs Computing kpt #: 268 total cpu time spent up to now is 402.0 secs Computing kpt #: 269 total cpu time spent up to now is 403.2 secs Computing kpt #: 270 total cpu time spent up to now is 404.4 secs Computing kpt #: 271 total cpu time spent up to now is 405.4 secs Computing kpt #: 272 total cpu time spent up to now is 406.6 secs Computing kpt #: 273 total cpu time spent up to now is 407.8 secs Computing kpt #: 274 total cpu time spent up to now is 408.9 secs Computing kpt #: 275 total cpu time spent up to now is 410.0 secs Computing kpt #: 276 total cpu time spent up to now is 411.1 secs Computing kpt #: 277 total cpu time spent up to now is 412.1 secs Computing kpt #: 278 total cpu time spent up to now is 413.2 secs Computing kpt #: 279 total cpu time spent up to now is 414.2 secs Computing kpt #: 280 total cpu time spent up to now is 415.3 secs Computing kpt #: 281 total cpu time spent up to now is 416.3 secs Computing kpt #: 282 total cpu time spent up to now is 417.3 secs Computing kpt #: 283 total cpu time spent up to now is 418.4 secs Computing kpt #: 284 total cpu time spent up to now is 419.4 secs Computing kpt #: 285 total cpu time spent up to now is 421.0 secs Computing kpt #: 286 total cpu time spent up to now is 422.1 secs Computing kpt #: 287 total cpu time spent up to now is 423.7 secs Computing kpt #: 288 total cpu time spent up to now is 425.1 secs Computing kpt #: 289 total cpu time spent up to now is 426.3 secs Computing kpt #: 290 total cpu time spent up to now is 427.8 secs Computing kpt #: 291 total cpu time spent up to now is 429.3 secs ethr = 1.47E-08, avg # of iterations = 41.4 total cpu time spent up to now is 429.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3411 PWs) bands (ev): -54.1707 -54.1707 -54.1655 -54.1655 -28.6043 -28.6043 -28.5675 -28.5675 -27.8223 -27.8223 -27.7776 -27.7776 -27.7097 -27.7097 -27.6775 -27.6775 -11.5048 -11.5048 -10.3627 -10.3627 -9.4948 -9.4948 -9.4947 -9.4947 -9.0273 -9.0273 -9.0182 -9.0182 1.7833 1.7833 1.9647 1.9647 2.1858 2.1858 2.3452 2.3452 2.3559 2.3559 2.8642 2.8642 2.8687 2.8687 4.7714 4.7714 4.7726 4.7726 5.6076 5.6076 5.6353 5.6353 6.5698 6.5698 6.5831 6.5831 6.6127 6.6127 6.6378 6.6378 7.1519 7.1519 7.8437 7.8437 7.8563 7.8563 11.0616 11.0616 11.0825 11.0825 11.0937 11.0937 11.4983 11.4983 11.5384 11.5384 11.9563 11.9563 13.2790 13.2790 13.2896 13.2896 14.4576 14.4576 k = 0.0122-0.0104-0.0069 ( 3417 PWs) bands (ev): -54.1707 -54.1707 -54.1655 -54.1655 -28.6043 -28.6043 -28.5675 -28.5675 -27.8223 -27.8223 -27.7776 -27.7776 -27.7097 -27.7097 -27.6776 -27.6776 -11.5041 -11.5041 -10.3630 -10.3630 -9.4947 -9.4947 -9.4946 -9.4946 -9.0278 -9.0278 -9.0187 -9.0187 1.7819 1.7819 1.9660 1.9660 2.1853 2.1853 2.3468 2.3468 2.3577 2.3577 2.8640 2.8640 2.8694 2.8694 4.7700 4.7700 4.7729 4.7729 5.6096 5.6096 5.6357 5.6357 6.5667 6.5667 6.5801 6.5801 6.6150 6.6150 6.6388 6.6388 7.1520 7.1520 7.8421 7.8421 7.8548 7.8548 11.0621 11.0621 11.0828 11.0828 11.0940 11.0940 11.4981 11.4981 11.5382 11.5382 11.9559 11.9559 13.2782 13.2782 13.2888 13.2888 14.4442 14.4442 k = 0.0244-0.0209-0.0138 ( 3415 PWs) bands (ev): -54.1707 -54.1707 -54.1655 -54.1655 -28.6043 -28.6043 -28.5676 -28.5676 -27.8223 -27.8223 -27.7777 -27.7777 -27.7097 -27.7097 -27.6776 -27.6776 -11.5021 -11.5021 -10.3638 -10.3638 -9.4944 -9.4944 -9.4942 -9.4942 -9.0293 -9.0293 -9.0202 -9.0202 1.7777 1.7777 1.9697 1.9697 2.1838 2.1838 2.3504 2.3504 2.3640 2.3640 2.8611 2.8611 2.8738 2.8738 4.7643 4.7643 4.7751 4.7751 5.6158 5.6158 5.6369 5.6369 6.5544 6.5544 6.5783 6.5783 6.6162 6.6162 6.6430 6.6430 7.1522 7.1522 7.8366 7.8366 7.8512 7.8512 11.0633 11.0633 11.0836 11.0836 11.0949 11.0949 11.4974 11.4974 11.5375 11.5375 11.9549 11.9549 13.2757 13.2757 13.2869 13.2869 14.4129 14.4129 k = 0.0366-0.0313-0.0206 ( 3409 PWs) bands (ev): -54.1706 -54.1706 -54.1655 -54.1655 -28.6042 -28.6042 -28.5677 -28.5677 -27.8222 -27.8222 -27.7778 -27.7778 -27.7096 -27.7096 -27.6777 -27.6777 -11.4988 -11.4988 -10.3652 -10.3652 -9.4939 -9.4939 -9.4935 -9.4935 -9.0318 -9.0318 -9.0226 -9.0226 1.7710 1.7710 1.9757 1.9757 2.1811 2.1811 2.3548 2.3548 2.3762 2.3762 2.8553 2.8553 2.8820 2.8820 4.7549 4.7549 4.7789 4.7789 5.6260 5.6260 5.6387 5.6387 6.5362 6.5362 6.5770 6.5770 6.6144 6.6144 6.6499 6.6499 7.1526 7.1526 7.8259 7.8259 7.8469 7.8469 11.0654 11.0654 11.0849 11.0849 11.0963 11.0963 11.4962 11.4962 11.5364 11.5364 11.9531 11.9531 13.2709 13.2709 13.2843 13.2843 14.3792 14.3792 k = 0.0488-0.0417-0.0275 ( 3408 PWs) bands (ev): -54.1706 -54.1706 -54.1656 -54.1656 -28.6041 -28.6041 -28.5678 -28.5678 -27.8221 -27.8221 -27.7779 -27.7779 -27.7096 -27.7096 -27.6778 -27.6778 -11.4942 -11.4942 -10.3670 -10.3670 -9.4933 -9.4933 -9.4926 -9.4926 -9.0355 -9.0355 -9.0259 -9.0259 1.7624 1.7624 1.9840 1.9840 2.1772 2.1772 2.3603 2.3603 2.3936 2.3936 2.8471 2.8471 2.8936 2.8936 4.7421 4.7421 4.7842 4.7842 5.6399 5.6399 5.6414 5.6414 6.5150 6.5150 6.5705 6.5705 6.6146 6.6146 6.6569 6.6569 7.1532 7.1532 7.8098 7.8098 7.8422 7.8422 11.0684 11.0684 11.0868 11.0868 11.0984 11.0984 11.4946 11.4946 11.5350 11.5350 11.9507 11.9507 13.2638 13.2638 13.2815 13.2815 14.3465 14.3465 k = 0.0610-0.0522-0.0344 ( 3406 PWs) bands (ev): -54.1706 -54.1706 -54.1656 -54.1656 -28.6040 -28.6040 -28.5679 -28.5679 -27.8220 -27.8220 -27.7781 -27.7781 -27.7095 -27.7095 -27.6779 -27.6779 -11.4882 -11.4882 -10.3694 -10.3694 -9.4925 -9.4925 -9.4914 -9.4914 -9.0402 -9.0402 -9.0300 -9.0300 1.7525 1.7525 1.9944 1.9944 2.1719 2.1719 2.3675 2.3675 2.4155 2.4155 2.8369 2.8369 2.9080 2.9080 4.7261 4.7261 4.7909 4.7909 5.6438 5.6438 5.6580 5.6580 6.4920 6.4920 6.5563 6.5563 6.6199 6.6199 6.6625 6.6625 7.1539 7.1539 7.7890 7.7890 7.8368 7.8368 11.0720 11.0720 11.0891 11.0891 11.1010 11.1010 11.4925 11.4925 11.5333 11.5333 11.9474 11.9474 13.2546 13.2546 13.2785 13.2785 14.3153 14.3153 k = 0.0732-0.0626-0.0413 ( 3405 PWs) bands (ev): -54.1706 -54.1706 -54.1656 -54.1656 -28.6039 -28.6039 -28.5681 -28.5681 -27.8218 -27.8218 -27.7783 -27.7783 -27.7094 -27.7094 -27.6781 -27.6781 -11.4809 -11.4809 -10.3723 -10.3723 -9.4915 -9.4915 -9.4900 -9.4900 -9.0462 -9.0462 -9.0348 -9.0348 1.7416 1.7416 2.0068 2.0068 2.1651 2.1651 2.3767 2.3767 2.4413 2.4413 2.8250 2.8250 2.9252 2.9252 4.7073 4.7073 4.7989 4.7989 5.6468 5.6468 5.6792 5.6792 6.4674 6.4674 6.5355 6.5355 6.6291 6.6291 6.6662 6.6662 7.1548 7.1548 7.7638 7.7638 7.8305 7.8305 11.0765 11.0765 11.0920 11.0920 11.1041 11.1041 11.4898 11.4898 11.5315 11.5315 11.9434 11.9434 13.2438 13.2438 13.2753 13.2753 14.2860 14.2860 k = 0.0854-0.0730-0.0482 ( 3401 PWs) bands (ev): -54.1706 -54.1706 -54.1656 -54.1656 -28.6037 -28.6037 -28.5682 -28.5682 -27.8216 -27.8216 -27.7785 -27.7785 -27.7093 -27.7093 -27.6783 -27.6783 -11.4724 -11.4724 -10.3757 -10.3757 -9.4903 -9.4903 -9.4885 -9.4885 -9.0533 -9.0533 -9.0403 -9.0403 1.7304 1.7304 2.0212 2.0212 2.1569 2.1569 2.3882 2.3882 2.4702 2.4702 2.8116 2.8116 2.9447 2.9447 4.6861 4.6861 4.8082 4.8082 5.6499 5.6499 5.7036 5.7036 6.4416 6.4416 6.5092 6.5092 6.6408 6.6408 6.6677 6.6677 7.1559 7.1559 7.7348 7.7348 7.8234 7.8234 11.0816 11.0816 11.0953 11.0953 11.1077 11.1077 11.4867 11.4867 11.5296 11.5296 11.9386 11.9386 13.2318 13.2318 13.2718 13.2718 14.2584 14.2584 k = 0.0976-0.0835-0.0550 ( 3401 PWs) bands (ev): -54.1705 -54.1705 -54.1656 -54.1656 -28.6035 -28.6035 -28.5685 -28.5685 -27.8214 -27.8214 -27.7787 -27.7787 -27.7092 -27.7092 -27.6785 -27.6785 -11.4625 -11.4625 -10.3794 -10.3794 -9.4890 -9.4890 -9.4868 -9.4868 -9.0616 -9.0616 -9.0464 -9.0464 1.7192 1.7192 2.0374 2.0374 2.1475 2.1475 2.4019 2.4019 2.5019 2.5019 2.7972 2.7972 2.9663 2.9663 4.6629 4.6629 4.8187 4.8187 5.6530 5.6530 5.7307 5.7307 6.4148 6.4148 6.4783 6.4783 6.6538 6.6538 6.6672 6.6672 7.1572 7.1572 7.7022 7.7022 7.8153 7.8153 11.0873 11.0873 11.0990 11.0990 11.1119 11.1119 11.4831 11.4831 11.5277 11.5277 11.9330 11.9330 13.2191 13.2191 13.2682 13.2682 14.2323 14.2323 k = 0.1098-0.0939-0.0619 ( 3403 PWs) bands (ev): -54.1705 -54.1705 -54.1657 -54.1657 -28.6033 -28.6033 -28.5687 -28.5687 -27.8211 -27.8211 -27.7790 -27.7790 -27.7090 -27.7090 -27.6787 -27.6787 -11.4515 -11.4515 -10.3836 -10.3836 -9.4874 -9.4874 -9.4850 -9.4850 -9.0709 -9.0709 -9.0532 -9.0532 1.7084 1.7084 2.0553 2.0553 2.1369 2.1369 2.4178 2.4178 2.5357 2.5357 2.7821 2.7821 2.9897 2.9897 4.6379 4.6379 4.8304 4.8304 5.6558 5.6558 5.7603 5.7603 6.3871 6.3871 6.4429 6.4429 6.6618 6.6618 6.6704 6.6704 7.1587 7.1587 7.6665 7.6665 7.8065 7.8065 11.0936 11.0936 11.1031 11.1031 11.1165 11.1165 11.4792 11.4792 11.5259 11.5259 11.9265 11.9265 13.2060 13.2060 13.2645 13.2645 14.2077 14.2077 k = 0.1220-0.1043-0.0688 ( 3400 PWs) bands (ev): -54.1705 -54.1705 -54.1657 -54.1657 -28.6031 -28.6031 -28.5690 -28.5690 -27.8208 -27.8208 -27.7794 -27.7794 -27.7088 -27.7088 -27.6790 -27.6790 -11.4392 -11.4392 -10.3882 -10.3882 -9.4857 -9.4857 -9.4832 -9.4832 -9.0813 -9.0813 -9.0606 -9.0606 1.6982 1.6982 2.0748 2.0748 2.1255 2.1255 2.4358 2.4358 2.5713 2.5713 2.7671 2.7671 3.0148 3.0148 4.6118 4.6118 4.8430 4.8430 5.6582 5.6582 5.7920 5.7920 6.3587 6.3587 6.4035 6.4035 6.6570 6.6570 6.6847 6.6847 7.1603 7.1603 7.6282 7.6282 7.7969 7.7969 11.1003 11.1003 11.1077 11.1077 11.1217 11.1217 11.4752 11.4752 11.5241 11.5241 11.9192 11.9192 13.1929 13.1929 13.2607 13.2607 14.1843 14.1843 k = 0.1341-0.1148-0.0757 ( 3401 PWs) bands (ev): -54.1704 -54.1704 -54.1658 -54.1658 -28.6028 -28.6028 -28.5693 -28.5693 -27.8205 -27.8205 -27.7797 -27.7797 -27.7086 -27.7086 -27.6793 -27.6793 -11.4257 -11.4257 -10.3932 -10.3932 -9.4839 -9.4839 -9.4814 -9.4814 -9.0926 -9.0926 -9.0686 -9.0686 1.6890 1.6890 2.0957 2.0957 2.1133 2.1133 2.4556 2.4556 2.6077 2.6077 2.7530 2.7530 3.0412 3.0412 4.5847 4.5847 4.8566 4.8566 5.6603 5.6603 5.8253 5.8253 6.3295 6.3295 6.3605 6.3605 6.6490 6.6490 6.7001 6.7001 7.1620 7.1620 7.5877 7.5877 7.7866 7.7866 11.1071 11.1071 11.1129 11.1129 11.1275 11.1275 11.4710 11.4710 11.5224 11.5224 11.9109 11.9109 13.1802 13.1802 13.2570 13.2570 14.1619 14.1619 k = 0.1463-0.1252-0.0826 ( 3398 PWs) bands (ev): -54.1704 -54.1704 -54.1658 -54.1658 -28.6025 -28.6025 -28.5696 -28.5696 -27.8202 -27.8202 -27.7801 -27.7801 -27.7084 -27.7084 -27.6796 -27.6796 -11.4110 -11.4110 -10.3984 -10.3984 -9.4819 -9.4819 -9.4796 -9.4796 -9.1048 -9.1048 -9.0772 -9.0772 1.6808 1.6808 2.1003 2.1003 2.1180 2.1180 2.4772 2.4772 2.6432 2.6432 2.7417 2.7417 3.0687 3.0687 4.5570 4.5570 4.8709 4.8709 5.6618 5.6618 5.8597 5.8597 6.2982 6.2982 6.3155 6.3155 6.6385 6.6385 6.7154 6.7154 7.1637 7.1637 7.5454 7.5454 7.7757 7.7757 11.1131 11.1131 11.1193 11.1193 11.1340 11.1340 11.4671 11.4671 11.5208 11.5208 11.9018 11.9018 13.1681 13.1681 13.2535 13.2535 14.1405 14.1405 k = 0.1585-0.1356-0.0894 ( 3398 PWs) bands (ev): -54.1703 -54.1703 -54.1658 -54.1658 -28.6022 -28.6022 -28.5699 -28.5699 -27.8198 -27.8198 -27.7805 -27.7805 -27.7082 -27.7082 -27.6800 -27.6800 -11.3953 -11.3953 -10.4040 -10.4040 -9.4798 -9.4798 -9.4778 -9.4778 -9.1178 -9.1178 -9.0864 -9.0864 1.6738 1.6738 2.0871 2.0871 2.1410 2.1410 2.5002 2.5002 2.6723 2.6723 2.7391 2.7391 3.0972 3.0972 4.5291 4.5291 4.8860 4.8860 5.6627 5.6627 5.8948 5.8948 6.2564 6.2564 6.2774 6.2774 6.6259 6.6259 6.7304 6.7304 7.1653 7.1653 7.5019 7.5019 7.7642 7.7642 11.1179 11.1179 11.1273 11.1273 11.1413 11.1413 11.4634 11.4634 11.5191 11.5191 11.8918 11.8918 13.1568 13.1568 13.2504 13.2504 14.1198 14.1198 k = 0.1707-0.1461-0.0963 ( 3398 PWs) bands (ev): -54.1703 -54.1703 -54.1659 -54.1659 -28.6019 -28.6019 -28.5703 -28.5703 -27.8194 -27.8194 -27.7810 -27.7810 -27.7080 -27.7080 -27.6804 -27.6804 -11.3784 -11.3784 -10.4098 -10.4098 -9.4775 -9.4775 -9.4762 -9.4762 -9.1316 -9.1316 -9.0961 -9.0961 1.6682 1.6682 2.0737 2.0737 2.1646 2.1646 2.5245 2.5245 2.6834 2.6834 2.7571 2.7571 3.1265 3.1265 4.5012 4.5012 4.9017 4.9017 5.6628 5.6628 5.9301 5.9301 6.2038 6.2038 6.2469 6.2469 6.6111 6.6111 6.7446 6.7446 7.1664 7.1664 7.4578 7.4578 7.7524 7.7524 11.1220 11.1220 11.1363 11.1363 11.1495 11.1495 11.4602 11.4602 11.5175 11.5175 11.8810 11.8810 13.1466 13.1466 13.2476 13.2476 14.0998 14.0998 k = 0.1829-0.1565-0.1032 ( 3401 PWs) bands (ev): -54.1702 -54.1702 -54.1659 -54.1659 -28.6016 -28.6016 -28.5707 -28.5707 -27.8190 -27.8190 -27.7814 -27.7814 -27.7077 -27.7077 -27.6808 -27.6808 -11.3604 -11.3604 -10.4159 -10.4159 -9.4754 -9.4754 -9.4744 -9.4744 -9.1460 -9.1460 -9.1063 -9.1063 1.6639 1.6639 2.0600 2.0600 2.1883 2.1883 2.5498 2.5498 2.6810 2.6810 2.7919 2.7919 3.1562 3.1562 4.4737 4.4737 4.9177 4.9177 5.6621 5.6621 5.9650 5.9650 6.1470 6.1470 6.2182 6.2182 6.5945 6.5945 6.7577 6.7577 7.1665 7.1665 7.4139 7.4139 7.7402 7.7402 11.1257 11.1257 11.1460 11.1460 11.1585 11.1585 11.4575 11.4575 11.5157 11.5157 11.8693 11.8693 13.1376 13.1376 13.2453 13.2453 14.0803 14.0803 k = 0.1951-0.1669-0.1101 ( 3397 PWs) bands (ev): -54.1702 -54.1702 -54.1660 -54.1660 -28.6012 -28.6012 -28.5711 -28.5711 -27.8185 -27.8185 -27.7819 -27.7819 -27.7075 -27.7075 -27.6812 -27.6812 -11.3415 -11.3415 -10.4222 -10.4222 -9.4739 -9.4739 -9.4721 -9.4721 -9.1609 -9.1609 -9.1169 -9.1169 1.6611 1.6611 2.0463 2.0463 2.2116 2.2116 2.5757 2.5757 2.6764 2.6764 2.8324 2.8324 3.1863 3.1863 4.4468 4.4468 4.9341 4.9341 5.6604 5.6604 5.9987 5.9987 6.0874 6.0874 6.1906 6.1906 6.5764 6.5764 6.7695 6.7695 7.1646 7.1646 7.3715 7.3715 7.7278 7.7278 11.1290 11.1290 11.1564 11.1564 11.1684 11.1684 11.4555 11.4555 11.5137 11.5137 11.8570 11.8570 13.1300 13.1300 13.2437 13.2437 14.0612 14.0612 k = 0.2073-0.1774-0.1170 ( 3397 PWs) bands (ev): -54.1701 -54.1701 -54.1660 -54.1660 -28.6008 -28.6008 -28.5716 -28.5716 -27.8180 -27.8180 -27.7825 -27.7825 -27.7072 -27.7072 -27.6816 -27.6816 -11.3216 -11.3216 -10.4288 -10.4288 -9.4729 -9.4729 -9.4694 -9.4694 -9.1764 -9.1764 -9.1279 -9.1279 1.6597 1.6597 2.0326 2.0326 2.2339 2.2339 2.6021 2.6021 2.6740 2.6740 2.8751 2.8751 3.2167 3.2167 4.4209 4.4209 4.9507 4.9507 5.6572 5.6572 6.0251 6.0251 6.0309 6.0309 6.1646 6.1646 6.5571 6.5571 6.7796 6.7796 7.1591 7.1591 7.3328 7.3328 7.7153 7.7153 11.1319 11.1319 11.1674 11.1674 11.1791 11.1791 11.4542 11.4542 11.5115 11.5115 11.8441 11.8441 13.1238 13.1238 13.2427 13.2427 14.0425 14.0425 k = 0.2195-0.1878-0.1238 ( 3391 PWs) bands (ev): -54.1700 -54.1700 -54.1661 -54.1661 -28.6004 -28.6004 -28.5720 -28.5720 -27.8175 -27.8175 -27.7830 -27.7830 -27.7069 -27.7069 -27.6821 -27.6821 -11.3007 -11.3007 -10.4356 -10.4356 -9.4722 -9.4722 -9.4666 -9.4666 -9.1923 -9.1923 -9.1392 -9.1392 1.6597 1.6597 2.0190 2.0190 2.2544 2.2544 2.6287 2.6287 2.6757 2.6757 2.9189 2.9189 3.2470 3.2470 4.3961 4.3961 4.9672 4.9672 5.6519 5.6519 5.9634 5.9634 6.0568 6.0568 6.1421 6.1421 6.5372 6.5372 6.7879 6.7879 7.1468 7.1468 7.3008 7.3008 7.7028 7.7028 11.1346 11.1346 11.1790 11.1790 11.1906 11.1906 11.4536 11.4536 11.5090 11.5090 11.8307 11.8307 13.1192 13.1192 13.2426 13.2426 14.0242 14.0242 k = 0.2317-0.1982-0.1307 ( 3390 PWs) bands (ev): -54.1700 -54.1700 -54.1662 -54.1662 -28.6000 -28.6000 -28.5725 -28.5725 -27.8170 -27.8170 -27.7836 -27.7836 -27.7065 -27.7065 -27.6826 -27.6826 -11.2790 -11.2790 -10.4427 -10.4427 -9.4719 -9.4719 -9.4637 -9.4637 -9.2085 -9.2085 -9.1508 -9.1508 1.6611 1.6611 2.0055 2.0055 2.2725 2.2725 2.6550 2.6550 2.6825 2.6825 2.9633 2.9633 3.2772 3.2772 4.3726 4.3726 4.9835 4.9835 5.6432 5.6432 5.9018 5.9018 6.0707 6.0707 6.1303 6.1303 6.5174 6.5174 6.7942 6.7942 7.1247 7.1247 7.2789 7.2789 7.6904 7.6904 11.1371 11.1371 11.1913 11.1913 11.2029 11.2029 11.4536 11.4536 11.5060 11.5060 11.8170 11.8170 13.1162 13.1162 13.2433 13.2433 14.0061 14.0061 k = 0.2439-0.2087-0.1376 ( 3394 PWs) bands (ev): -54.1699 -54.1699 -54.1662 -54.1662 -28.5995 -28.5995 -28.5730 -28.5730 -27.8164 -27.8164 -27.7842 -27.7842 -27.7062 -27.7062 -27.6831 -27.6831 -11.2565 -11.2565 -10.4500 -10.4500 -9.4720 -9.4720 -9.4606 -9.4606 -9.2249 -9.2249 -9.1626 -9.1626 1.6637 1.6637 1.9922 1.9922 2.2878 2.2878 2.6807 2.6807 2.6952 2.6952 3.0079 3.0079 3.3071 3.3071 4.3508 4.3508 4.9993 4.9993 5.6289 5.6289 5.8436 5.8436 6.0624 6.0624 6.1382 6.1382 6.4985 6.4985 6.7983 6.7983 7.0929 7.0929 7.2674 7.2674 7.6782 7.6782 11.1395 11.1395 11.2041 11.2041 11.2160 11.2160 11.4541 11.4541 11.5027 11.5027 11.8031 11.8031 13.1147 13.1147 13.2449 13.2449 13.9882 13.9882 k = 0.2561-0.2191-0.1445 ( 3394 PWs) bands (ev): -54.1698 -54.1698 -54.1663 -54.1663 -28.5990 -28.5990 -28.5736 -28.5736 -27.8158 -27.8158 -27.7849 -27.7849 -27.7058 -27.7058 -27.6836 -27.6836 -11.2332 -11.2332 -10.4575 -10.4575 -9.4724 -9.4724 -9.4575 -9.4575 -9.2414 -9.2414 -9.1745 -9.1745 1.6675 1.6675 1.9792 1.9792 2.3003 2.3003 2.7055 2.7055 2.7140 2.7140 3.0525 3.0525 3.3365 3.3365 4.3307 4.3307 5.0146 5.0146 5.6049 5.6049 5.7933 5.7933 6.0425 6.0425 6.1541 6.1541 6.4814 6.4814 6.8001 6.8001 7.0541 7.0541 7.2637 7.2637 7.6663 7.6663 11.1418 11.1418 11.2175 11.2175 11.2299 11.2299 11.4549 11.4549 11.4988 11.4988 11.7893 11.7893 13.1148 13.1148 13.2475 13.2475 13.9705 13.9705 k = 0.2683-0.2295-0.1513 ( 3394 PWs) bands (ev): -54.1698 -54.1698 -54.1664 -54.1664 -28.5985 -28.5985 -28.5741 -28.5741 -27.8152 -27.8152 -27.7855 -27.7855 -27.7055 -27.7055 -27.6841 -27.6841 -11.2092 -11.2092 -10.4653 -10.4653 -9.4732 -9.4732 -9.4543 -9.4543 -9.2580 -9.2580 -9.1864 -9.1864 1.6725 1.6725 1.9664 1.9664 2.3102 2.3102 2.7290 2.7290 2.7390 2.7390 3.0970 3.0970 3.3653 3.3653 4.3126 4.3126 5.0289 5.0289 5.5670 5.5670 5.7555 5.7555 6.0195 6.0195 6.1687 6.1687 6.4674 6.4674 6.7995 6.7995 7.0115 7.0115 7.2648 7.2648 7.6547 7.6547 11.1442 11.1442 11.2313 11.2313 11.2446 11.2446 11.4556 11.4556 11.4947 11.4947 11.7757 11.7757 13.1166 13.1166 13.2510 13.2510 13.9531 13.9531 k = 0.2805-0.2400-0.1582 ( 3399 PWs) bands (ev): -54.1697 -54.1697 -54.1664 -54.1664 -28.5980 -28.5980 -28.5747 -28.5747 -27.8146 -27.8146 -27.7862 -27.7862 -27.7051 -27.7051 -27.6846 -27.6846 -11.1846 -11.1846 -10.4735 -10.4735 -9.4744 -9.4744 -9.4511 -9.4511 -9.2745 -9.2745 -9.1983 -9.1983 1.6783 1.6783 1.9539 1.9539 2.3181 2.3181 2.7508 2.7508 2.7696 2.7696 3.1413 3.1413 3.3934 3.3934 4.2965 4.2965 5.0423 5.0423 5.5152 5.5152 5.7307 5.7307 5.9956 5.9956 6.1791 6.1791 6.4572 6.4572 6.7962 6.7962 6.9673 6.9673 7.2689 7.2689 7.6436 7.6436 11.1467 11.1467 11.2456 11.2456 11.2601 11.2601 11.4557 11.4557 11.4906 11.4906 11.7625 11.7625 13.1201 13.1201 13.2555 13.2555 13.9358 13.9358 k = 0.2927-0.2504-0.1651 ( 3397 PWs) bands (ev): -54.1696 -54.1696 -54.1665 -54.1665 -28.5975 -28.5975 -28.5753 -28.5753 -27.8140 -27.8140 -27.7869 -27.7869 -27.7047 -27.7047 -27.6852 -27.6852 -11.1594 -11.1594 -10.4819 -10.4819 -9.4761 -9.4761 -9.4479 -9.4479 -9.2909 -9.2909 -9.2101 -9.2101 1.6849 1.6849 1.9417 1.9417 2.3247 2.3247 2.7704 2.7704 2.8053 2.8053 3.1850 3.1850 3.4207 3.4207 4.2824 4.2824 5.0543 5.0543 5.4540 5.4540 5.7148 5.7148 5.9711 5.9711 6.1847 6.1847 6.4515 6.4515 6.7903 6.7903 6.9229 6.9229 7.2751 7.2751 7.6328 7.6328 11.1493 11.1493 11.2601 11.2601 11.2765 11.2765 11.4543 11.4543 11.4871 11.4871 11.7499 11.7499 13.1251 13.1251 13.2611 13.2611 13.9186 13.9186 k = 0.3049-0.2608-0.1720 ( 3393 PWs) bands (ev): -54.1695 -54.1695 -54.1666 -54.1666 -28.5970 -28.5970 -28.5758 -28.5758 -27.8133 -27.8133 -27.7876 -27.7876 -27.7042 -27.7042 -27.6858 -27.6858 -11.1338 -11.1338 -10.4908 -10.4908 -9.4781 -9.4781 -9.4448 -9.4448 -9.3068 -9.3068 -9.2217 -9.2217 1.6921 1.6921 1.9299 1.9299 2.3309 2.3309 2.7875 2.7875 2.8454 2.8454 3.2282 3.2282 3.4470 3.4470 4.2704 4.2704 5.0648 5.0648 5.3879 5.3879 5.7039 5.7039 5.9460 5.9460 6.1863 6.1863 6.4500 6.4500 6.7814 6.7814 6.8794 6.8794 7.2826 7.2826 7.6225 7.6225 11.1520 11.1520 11.2747 11.2747 11.2935 11.2935 11.4505 11.4505 11.4852 11.4852 11.7381 11.7381 13.1317 13.1317 13.2676 13.2676 13.9017 13.9017 k = 0.3171-0.2713-0.1789 ( 3391 PWs) bands (ev): -54.1694 -54.1694 -54.1667 -54.1667 -28.5964 -28.5964 -28.5765 -28.5765 -27.8126 -27.8126 -27.7883 -27.7883 -27.7038 -27.7038 -27.6864 -27.6864 -11.1077 -11.1077 -10.5000 -10.5000 -9.4805 -9.4805 -9.4418 -9.4418 -9.3223 -9.3223 -9.2330 -9.2330 1.6997 1.6997 1.9184 1.9184 2.3374 2.3374 2.8018 2.8018 2.8892 2.8892 3.2706 3.2706 3.4722 3.4722 4.2602 4.2602 5.0736 5.0736 5.3198 5.3198 5.6955 5.6955 5.9199 5.9199 6.1854 6.1854 6.4518 6.4518 6.7689 6.7689 6.8380 6.8380 7.2912 7.2912 7.6127 7.6127 11.1550 11.1550 11.2895 11.2895 11.3113 11.3113 11.4439 11.4439 11.4850 11.4850 11.7271 11.7271 13.1400 13.1400 13.2750 13.2750 13.8849 13.8849 k = 0.3293-0.2817-0.1857 ( 3393 PWs) bands (ev): -54.1694 -54.1694 -54.1667 -54.1667 -28.5958 -28.5958 -28.5771 -28.5771 -27.8119 -27.8119 -27.7891 -27.7891 -27.7034 -27.7034 -27.6869 -27.6869 -11.0813 -11.0813 -10.5098 -10.5098 -9.4833 -9.4833 -9.4392 -9.4392 -9.3370 -9.3370 -9.2439 -9.2439 1.7076 1.7076 1.9073 1.9073 2.3447 2.3447 2.8129 2.8129 2.9362 2.9362 3.3122 3.3122 3.4963 3.4963 4.2514 4.2514 5.0805 5.0805 5.2519 5.2519 5.6884 5.6884 5.8927 5.8927 6.1836 6.1836 6.4559 6.4559 6.7510 6.7510 6.8011 6.8011 7.3007 7.3007 7.6033 7.6033 11.1582 11.1582 11.3041 11.3041 11.3296 11.3296 11.4350 11.4350 11.4860 11.4860 11.7169 11.7169 13.1498 13.1498 13.2833 13.2833 13.8682 13.8682 k = 0.3415-0.2921-0.1926 ( 3392 PWs) bands (ev): -54.1693 -54.1693 -54.1668 -54.1668 -28.5953 -28.5953 -28.5777 -28.5777 -27.8112 -27.8112 -27.7899 -27.7899 -27.7029 -27.7029 -27.6876 -27.6876 -11.0546 -11.0546 -10.5200 -10.5200 -9.4863 -9.4863 -9.4371 -9.4371 -9.3506 -9.3506 -9.2545 -9.2545 1.7155 1.7155 1.8966 1.8966 2.3534 2.3534 2.8205 2.8205 2.9858 2.9858 3.3526 3.3526 3.5191 3.5191 4.2435 4.2435 5.0853 5.0853 5.1855 5.1855 5.6818 5.6818 5.8643 5.8643 6.1826 6.1826 6.4610 6.4610 6.7252 6.7252 6.7715 6.7715 7.3110 7.3110 7.5942 7.5942 11.1617 11.1617 11.3186 11.3186 11.3482 11.3482 11.4246 11.4246 11.4876 11.4876 11.7074 11.7074 13.1610 13.1610 13.2924 13.2924 13.8517 13.8517 k = 0.3537-0.3026-0.1995 ( 3396 PWs) bands (ev): -54.1692 -54.1692 -54.1669 -54.1669 -28.5947 -28.5947 -28.5784 -28.5784 -27.8105 -27.8105 -27.7906 -27.7906 -27.7024 -27.7024 -27.6882 -27.6882 -11.0278 -11.0278 -10.5309 -10.5309 -9.4895 -9.4895 -9.4359 -9.4359 -9.3627 -9.3627 -9.2647 -9.2647 1.7233 1.7233 1.8864 1.8864 2.3638 2.3638 2.8245 2.8245 3.0377 3.0377 3.3919 3.3919 3.5405 3.5405 4.2358 4.2358 5.0877 5.0877 5.1222 5.1222 5.6752 5.6752 5.8349 5.8349 6.1837 6.1837 6.4663 6.4663 6.6932 6.6932 6.7482 6.7482 7.3219 7.3219 7.5854 7.5854 11.1655 11.1655 11.3327 11.3327 11.3666 11.3666 11.4138 11.4138 11.4895 11.4895 11.6986 11.6986 13.1737 13.1737 13.3021 13.3021 13.8354 13.8354 k = 0.3659-0.3130-0.2064 ( 3396 PWs) bands (ev): -54.1691 -54.1691 -54.1670 -54.1670 -28.5940 -28.5940 -28.5790 -28.5790 -27.8097 -27.8097 -27.7914 -27.7914 -27.7019 -27.7019 -27.6888 -27.6888 -11.0009 -11.0009 -10.5424 -10.5424 -9.4928 -9.4928 -9.4362 -9.4362 -9.3727 -9.3727 -9.2744 -9.2744 1.7309 1.7309 1.8765 1.8765 2.3763 2.3763 2.8248 2.8248 3.0915 3.0915 3.4300 3.4300 3.5604 3.5604 4.2271 4.2271 5.0623 5.0623 5.0887 5.0887 5.6686 5.6686 5.8048 5.8048 6.1875 6.1875 6.4713 6.4713 6.6593 6.6593 6.7272 6.7272 7.3333 7.3333 7.5768 7.5768 11.1696 11.1696 11.3460 11.3460 11.3815 11.3815 11.4062 11.4062 11.4913 11.4913 11.6904 11.6904 13.1879 13.1879 13.3124 13.3124 13.8194 13.8194 k = 0.3780-0.3234-0.2133 ( 3402 PWs) bands (ev): -54.1690 -54.1690 -54.1671 -54.1671 -28.5934 -28.5934 -28.5797 -28.5797 -27.8090 -27.8090 -27.7923 -27.7923 -27.7014 -27.7014 -27.6894 -27.6894 -10.9739 -10.9739 -10.5546 -10.5546 -9.4961 -9.4961 -9.4386 -9.4386 -9.3798 -9.3798 -9.2836 -9.2836 1.7382 1.7382 1.8671 1.8671 2.3908 2.3908 2.8215 2.8215 3.1467 3.1467 3.4666 3.4666 3.5787 3.5787 4.2163 4.2163 5.0092 5.0092 5.0863 5.0863 5.6615 5.6615 5.7746 5.7746 6.1944 6.1944 6.4757 6.4757 6.6261 6.6261 6.7063 6.7063 7.3452 7.3452 7.5684 7.5684 11.1741 11.1741 11.3567 11.3567 11.3827 11.3827 11.4140 11.4140 11.4929 11.4929 11.6825 11.6825 13.2032 13.2032 13.3231 13.3231 13.8036 13.8036 k = 0.3902-0.3339-0.2201 ( 3398 PWs) bands (ev): -54.1689 -54.1689 -54.1672 -54.1672 -28.5928 -28.5928 -28.5804 -28.5804 -27.8082 -27.8082 -27.7931 -27.7931 -27.7009 -27.7009 -27.6900 -27.6900 -10.9471 -10.9471 -10.5675 -10.5675 -9.4993 -9.4993 -9.4435 -9.4435 -9.3836 -9.3836 -9.2924 -9.2924 1.7452 1.7452 1.8582 1.8582 2.4076 2.4076 2.8144 2.8144 3.2030 3.2030 3.5019 3.5019 3.5951 3.5951 4.2020 4.2020 4.9632 4.9632 5.0814 5.0814 5.6542 5.6542 5.7450 5.7450 6.2045 6.2045 6.4793 6.4793 6.5948 6.5948 6.6848 6.6848 7.3574 7.3574 7.5599 7.5599 11.1790 11.1790 11.3576 11.3576 11.3833 11.3833 11.4313 11.4313 11.4941 11.4941 11.6748 11.6748 13.2198 13.2198 13.3339 13.3339 13.7881 13.7881 k = 0.4024-0.3443-0.2270 ( 3396 PWs) bands (ev): -54.1688 -54.1688 -54.1672 -54.1672 -28.5921 -28.5921 -28.5810 -28.5810 -27.8074 -27.8074 -27.7939 -27.7939 -27.7003 -27.7003 -27.6907 -27.6907 -10.9205 -10.9205 -10.5813 -10.5813 -9.5023 -9.5023 -9.4503 -9.4503 -9.3846 -9.3846 -9.3008 -9.3008 1.7517 1.7517 1.8497 1.8497 2.4265 2.4265 2.8039 2.8039 3.2600 3.2600 3.5357 3.5357 3.6095 3.6095 4.1826 4.1826 4.9257 4.9257 5.0739 5.0739 5.6464 5.6464 5.7166 5.7166 6.2175 6.2175 6.4821 6.4821 6.5658 6.5658 6.6627 6.6627 7.3699 7.3699 7.5513 7.5513 11.1843 11.1843 11.3475 11.3475 11.3926 11.3926 11.4498 11.4498 11.4950 11.4950 11.6671 11.6671 13.2372 13.2372 13.3446 13.3446 13.7731 13.7731 k = 0.4146-0.3547-0.2339 ( 3404 PWs) bands (ev): -54.1687 -54.1687 -54.1673 -54.1673 -28.5915 -28.5915 -28.5817 -28.5817 -27.8066 -27.8066 -27.7947 -27.7947 -27.6998 -27.6998 -27.6913 -27.6913 -10.8941 -10.8941 -10.5959 -10.5959 -9.5049 -9.5049 -9.4582 -9.4582 -9.3835 -9.3835 -9.3087 -9.3087 1.7579 1.7579 1.8416 1.8416 2.4474 2.4474 2.7902 2.7902 3.3170 3.3170 3.5684 3.5684 3.6216 3.6216 4.1571 4.1571 4.8979 4.8979 5.0637 5.0637 5.6384 5.6384 5.6903 5.6903 6.2333 6.2333 6.4843 6.4843 6.5392 6.5392 6.6400 6.6400 7.3827 7.3827 7.5426 7.5426 11.1901 11.1901 11.3345 11.3345 11.4039 11.4039 11.4676 11.4676 11.4960 11.4960 11.6593 11.6593 13.2555 13.2555 13.3548 13.3548 13.7587 13.7587 k = 0.4268-0.3652-0.2408 ( 3407 PWs) bands (ev): -54.1687 -54.1687 -54.1674 -54.1674 -28.5908 -28.5908 -28.5824 -28.5824 -27.8058 -27.8058 -27.7956 -27.7956 -27.6992 -27.6992 -27.6919 -27.6919 -10.8681 -10.8681 -10.6114 -10.6114 -9.5070 -9.5070 -9.4664 -9.4664 -9.3810 -9.3810 -9.3162 -9.3162 1.7637 1.7637 1.8339 1.8339 2.4702 2.4702 2.7735 2.7735 3.3735 3.3735 3.6001 3.6001 3.6311 3.6311 4.1251 4.1251 4.8801 4.8801 5.0507 5.0507 5.6303 5.6303 5.6667 5.6667 6.2514 6.2514 6.4860 6.4860 6.5149 6.5149 6.6173 6.6173 7.3955 7.3955 7.5335 7.5335 11.1964 11.1964 11.3209 11.3209 11.4151 11.4151 11.4819 11.4819 11.4996 11.4996 11.6510 11.6510 13.2742 13.2742 13.3641 13.3641 13.7452 13.7452 k = 0.4390-0.3756-0.2477 ( 3407 PWs) bands (ev): -54.1686 -54.1686 -54.1675 -54.1675 -28.5901 -28.5901 -28.5831 -28.5831 -27.8049 -27.8049 -27.7964 -27.7964 -27.6987 -27.6987 -27.6926 -27.6926 -10.8426 -10.8426 -10.6279 -10.6279 -9.5084 -9.5084 -9.4744 -9.4744 -9.3777 -9.3777 -9.3233 -9.3233 1.7693 1.7693 1.8267 1.8267 2.4946 2.4946 2.7541 2.7541 3.4282 3.4282 3.6312 3.6312 3.6385 3.6385 4.0865 4.0865 4.8720 4.8720 5.0351 5.0351 5.6224 5.6224 5.6463 5.6463 6.2715 6.2715 6.4864 6.4864 6.4937 6.4937 6.5948 6.5948 7.4084 7.4084 7.5241 7.5241 11.2032 11.2032 11.3073 11.3073 11.4259 11.4259 11.4867 11.4867 11.5113 11.5113 11.6423 11.6423 13.2931 13.2931 13.3720 13.3720 13.7327 13.7327 k = 0.4512-0.3860-0.2545 ( 3399 PWs) bands (ev): -54.1685 -54.1685 -54.1676 -54.1676 -28.5894 -28.5894 -28.5838 -28.5838 -27.8041 -27.8041 -27.7973 -27.7973 -27.6981 -27.6981 -27.6932 -27.6932 -10.8176 -10.8176 -10.6453 -10.6453 -9.5092 -9.5092 -9.4819 -9.4819 -9.3737 -9.3737 -9.3301 -9.3301 1.7747 1.7747 1.8198 1.8198 2.5203 2.5203 2.7324 2.7324 3.4795 3.4795 3.6410 3.6410 3.6652 3.6652 4.0424 4.0424 4.8725 4.8725 5.0170 5.0170 5.6150 5.6150 5.6296 5.6296 6.2931 6.2931 6.4704 6.4704 6.4906 6.4906 6.5734 6.5734 7.4213 7.4213 7.5143 7.5143 11.2107 11.2107 11.2941 11.2941 11.4361 11.4361 11.4859 11.4859 11.5271 11.5271 11.6329 11.6329 13.3116 13.3116 13.3780 13.3780 13.7217 13.7217 k = 0.4634-0.3965-0.2614 ( 3397 PWs) bands (ev): -54.1684 -54.1684 -54.1677 -54.1677 -28.5888 -28.5888 -28.5845 -28.5845 -27.8033 -27.8033 -27.7981 -27.7981 -27.6975 -27.6975 -27.6938 -27.6938 -10.7932 -10.7932 -10.6637 -10.6637 -9.5091 -9.5091 -9.4887 -9.4887 -9.3693 -9.3693 -9.3365 -9.3365 1.7799 1.7799 1.8134 1.8134 2.5470 2.5470 2.7087 2.7087 3.5254 3.5254 3.6411 3.6411 3.7008 3.7008 3.9939 3.9939 4.8802 4.8802 4.9970 4.9970 5.6085 5.6085 5.6167 5.6167 6.3159 6.3159 6.4501 6.4501 6.4932 6.4932 6.5537 6.5537 7.4340 7.4340 7.5041 7.5041 11.2187 11.2187 11.2814 11.2814 11.4454 11.4454 11.4832 11.4832 11.5432 11.5432 11.6228 11.6228 13.3293 13.3293 13.3812 13.3812 13.7126 13.7126 k = 0.4756-0.4069-0.2683 ( 3388 PWs) bands (ev): -54.1683 -54.1683 -54.1678 -54.1678 -28.5881 -28.5881 -28.5852 -28.5852 -27.8024 -27.8024 -27.7990 -27.7990 -27.6969 -27.6969 -27.6944 -27.6944 -10.7695 -10.7695 -10.6830 -10.6830 -9.5082 -9.5082 -9.4945 -9.4945 -9.3646 -9.3646 -9.3427 -9.3427 1.7852 1.7852 1.8073 1.8073 2.5744 2.5744 2.6835 2.6835 3.5635 3.5635 3.6372 3.6372 3.7413 3.7413 3.9424 3.9424 4.8936 4.8936 4.9755 4.9755 5.6035 5.6035 5.6076 5.6076 6.3393 6.3393 6.4295 6.4295 6.4972 6.4972 6.5365 6.5365 7.4465 7.4465 7.4934 7.4934 11.2275 11.2275 11.2693 11.2693 11.4540 11.4540 11.4793 11.4793 11.5587 11.5587 11.6118 11.6118 13.3454 13.3454 13.3813 13.3813 13.7061 13.7061 k = 0.4878-0.4174-0.2752 ( 3382 PWs) bands (ev): -54.1682 -54.1682 -54.1678 -54.1678 -28.5874 -28.5874 -28.5859 -28.5859 -27.8016 -27.8016 -27.7998 -27.7998 -27.6963 -27.6963 -27.6950 -27.6950 -10.7466 -10.7466 -10.7033 -10.7033 -9.5063 -9.5063 -9.4994 -9.4994 -9.3595 -9.3595 -9.3486 -9.3486 1.7905 1.7905 1.8014 1.8014 2.6021 2.6021 2.6571 2.6571 3.5929 3.5929 3.6285 3.6285 3.7871 3.7871 3.8895 3.8895 4.9112 4.9112 4.9534 4.9534 5.6004 5.6004 5.6021 5.6021 6.3627 6.3627 6.4081 6.4081 6.5030 6.5030 6.5223 6.5223 7.4588 7.4588 7.4823 7.4823 11.2369 11.2369 11.2578 11.2578 11.4617 11.4617 11.4744 11.4744 11.5734 11.5734 11.5999 11.5999 13.3593 13.3593 13.3777 13.3777 13.7027 13.7027 k = 0.5000-0.4278-0.2821 ( 3382 PWs) bands (ev): -54.1682 -54.1682 -54.1678 -54.1678 -28.5868 -28.5868 -28.5865 -28.5865 -27.8009 -27.8009 -27.8005 -27.8005 -27.6959 -27.6959 -27.6955 -27.6955 -10.7245 -10.7245 -10.7245 -10.7245 -9.5034 -9.5034 -9.5034 -9.5034 -9.3542 -9.3542 -9.3542 -9.3542 1.7958 1.7958 1.7958 1.7958 2.6298 2.6298 2.6298 2.6298 3.6141 3.6141 3.6142 3.6142 3.8371 3.8371 3.8371 3.8371 4.9316 4.9316 4.9316 4.9316 5.5998 5.5998 5.5998 5.5998 6.3858 6.3858 6.3858 6.3858 6.5112 6.5112 6.5112 6.5112 7.4707 7.4707 7.4708 7.4708 11.2468 11.2468 11.2471 11.2471 11.4683 11.4683 11.4686 11.4686 11.5870 11.5870 11.5873 11.5873 13.3701 13.3701 13.3704 13.3704 13.7030 13.7030 k = 0.5000-0.4278-0.2821 ( 3382 PWs) bands (ev): -54.1682 -54.1682 -54.1678 -54.1678 -28.5868 -28.5868 -28.5865 -28.5865 -27.8009 -27.8009 -27.8005 -27.8005 -27.6959 -27.6959 -27.6955 -27.6955 -10.7245 -10.7245 -10.7245 -10.7245 -9.5034 -9.5034 -9.5034 -9.5034 -9.3542 -9.3542 -9.3542 -9.3542 1.7958 1.7958 1.7958 1.7958 2.6298 2.6298 2.6298 2.6298 3.6141 3.6141 3.6142 3.6142 3.8371 3.8371 3.8371 3.8371 4.9316 4.9316 4.9316 4.9316 5.5998 5.5998 5.5998 5.5998 6.3858 6.3858 6.3858 6.3858 6.5112 6.5112 6.5112 6.5112 7.4707 7.4707 7.4708 7.4708 11.2468 11.2468 11.2471 11.2471 11.4683 11.4683 11.4686 11.4686 11.5870 11.5870 11.5873 11.5873 13.3701 13.3701 13.3704 13.3704 13.7030 13.7030 k = 0.5000-0.4182-0.2965 ( 3382 PWs) bands (ev): -54.1682 -54.1682 -54.1678 -54.1678 -28.5869 -28.5869 -28.5864 -28.5864 -27.8010 -27.8010 -27.8005 -27.8005 -27.6959 -27.6959 -27.6955 -27.6955 -10.7243 -10.7243 -10.7242 -10.7242 -9.5041 -9.5041 -9.5038 -9.5038 -9.3540 -9.3540 -9.3539 -9.3539 1.7967 1.7967 1.7968 1.7968 2.6295 2.6295 2.6297 2.6297 3.6131 3.6131 3.6131 3.6131 3.8377 3.8377 3.8382 3.8382 4.9322 4.9322 4.9330 4.9330 5.5969 5.5969 5.5972 5.5972 6.3804 6.3804 6.3849 6.3849 6.5137 6.5137 6.5181 6.5181 7.4709 7.4709 7.4710 7.4710 11.2460 11.2460 11.2473 11.2473 11.4629 11.4629 11.4673 11.4673 11.5869 11.5869 11.5928 11.5928 13.3695 13.3695 13.3705 13.3705 13.7027 13.7027 k = 0.5000-0.4087-0.3110 ( 3384 PWs) bands (ev): -54.1682 -54.1682 -54.1678 -54.1678 -28.5870 -28.5870 -28.5863 -28.5863 -27.8011 -27.8011 -27.8004 -27.8004 -27.6959 -27.6959 -27.6955 -27.6955 -10.7234 -10.7234 -10.7234 -10.7234 -9.5060 -9.5060 -9.5054 -9.5054 -9.3533 -9.3533 -9.3531 -9.3531 1.7993 1.7993 1.7995 1.7995 2.6287 2.6287 2.6291 2.6291 3.6099 3.6099 3.6099 3.6099 3.8399 3.8399 3.8409 3.8409 4.9350 4.9350 4.9366 4.9366 5.5887 5.5887 5.5893 5.5893 6.3703 6.3703 6.3779 6.3779 6.5251 6.5251 6.5327 6.5327 7.4714 7.4714 7.4717 7.4717 11.2444 11.2444 11.2470 11.2470 11.4521 11.4521 11.4595 11.4595 11.5918 11.5918 11.6024 11.6024 13.3682 13.3682 13.3702 13.3702 13.7022 13.7022 k = 0.5000-0.3992-0.3254 ( 3388 PWs) bands (ev): -54.1682 -54.1682 -54.1678 -54.1678 -28.5871 -28.5871 -28.5862 -28.5862 -27.8012 -27.8012 -27.8002 -27.8002 -27.6958 -27.6958 -27.6955 -27.6955 -10.7221 -10.7221 -10.7220 -10.7220 -9.5090 -9.5090 -9.5082 -9.5082 -9.3523 -9.3523 -9.3519 -9.3519 1.8036 1.8036 1.8040 1.8040 2.6274 2.6274 2.6281 2.6281 3.6047 3.6047 3.6048 3.6048 3.8436 3.8436 3.8451 3.8451 4.9399 4.9399 4.9423 4.9423 5.5756 5.5756 5.5764 5.5764 6.3574 6.3574 6.3669 6.3669 6.5432 6.5432 6.5526 6.5526 7.4724 7.4724 7.4728 7.4728 11.2421 11.2421 11.2460 11.2460 11.4377 11.4377 11.4468 11.4468 11.6005 11.6005 11.6142 11.6142 13.3665 13.3665 13.3694 13.3694 13.7017 13.7017 k = 0.5000-0.3896-0.3399 ( 3396 PWs) bands (ev): -54.1682 -54.1682 -54.1678 -54.1678 -28.5872 -28.5872 -28.5861 -28.5861 -27.8014 -27.8014 -27.8001 -27.8001 -27.6958 -27.6958 -27.6954 -27.6954 -10.7202 -10.7202 -10.7201 -10.7201 -9.5131 -9.5131 -9.5121 -9.5121 -9.3508 -9.3508 -9.3504 -9.3504 1.8096 1.8096 1.8101 1.8101 2.6258 2.6258 2.6266 2.6266 3.5975 3.5975 3.5977 3.5977 3.8489 3.8489 3.8509 3.8509 4.9467 4.9467 4.9499 4.9499 5.5580 5.5580 5.5591 5.5591 6.3431 6.3431 6.3534 6.3534 6.5658 6.5658 6.5761 6.5761 7.4737 7.4737 7.4742 7.4742 11.2390 11.2390 11.2443 11.2443 11.4212 11.4212 11.4308 11.4308 11.6111 11.6111 11.6271 11.6271 13.3642 13.3642 13.3680 13.3680 13.7013 13.7013 k = 0.5000-0.3801-0.3544 ( 3402 PWs) bands (ev): -54.1682 -54.1682 -54.1678 -54.1678 -28.5874 -28.5874 -28.5860 -28.5860 -27.8016 -27.8016 -27.8000 -27.8000 -27.6958 -27.6958 -27.6954 -27.6954 -10.7177 -10.7177 -10.7177 -10.7177 -9.5181 -9.5181 -9.5169 -9.5169 -9.3490 -9.3490 -9.3486 -9.3486 1.8172 1.8172 1.8178 1.8178 2.6237 2.6237 2.6248 2.6248 3.5886 3.5886 3.5888 3.5888 3.8557 3.8557 3.8581 3.8581 4.9554 4.9554 4.9592 4.9592 5.5367 5.5367 5.5380 5.5380 6.3278 6.3278 6.3385 6.3385 6.5914 6.5914 6.6020 6.6020 7.4754 7.4754 7.4761 7.4761 11.2351 11.2351 11.2419 11.2419 11.4035 11.4035 11.4129 11.4129 11.6227 11.6227 11.6402 11.6402 13.3615 13.3615 13.3660 13.3660 13.7011 13.7011 k = 0.5000-0.3706-0.3688 ( 3400 PWs) bands (ev): -54.1682 -54.1682 -54.1678 -54.1678 -28.5875 -28.5875 -28.5859 -28.5859 -27.8018 -27.8018 -27.7999 -27.7999 -27.6957 -27.6957 -27.6954 -27.6954 -10.7148 -10.7148 -10.7148 -10.7148 -9.5240 -9.5240 -9.5226 -9.5226 -9.3469 -9.3469 -9.3465 -9.3465 1.8264 1.8264 1.8271 1.8271 2.6213 2.6213 2.6226 2.6226 3.5781 3.5781 3.5783 3.5783 3.8640 3.8640 3.8667 3.8667 4.9656 4.9656 4.9702 4.9702 5.5124 5.5124 5.5140 5.5140 6.3119 6.3119 6.3226 6.3226 6.6187 6.6187 6.6295 6.6295 7.4775 7.4775 7.4782 7.4782 11.2303 11.2303 11.2387 11.2387 11.3852 11.3852 11.3940 11.3940 11.6344 11.6344 11.6531 11.6531 13.3582 13.3582 13.3633 13.3633 13.7013 13.7013 k = 0.5000-0.3610-0.3833 ( 3396 PWs) bands (ev): -54.1682 -54.1682 -54.1678 -54.1678 -28.5876 -28.5876 -28.5858 -28.5858 -27.8019 -27.8019 -27.7998 -27.7998 -27.6957 -27.6957 -27.6953 -27.6953 -10.7114 -10.7114 -10.7114 -10.7114 -9.5307 -9.5307 -9.5292 -9.5292 -9.3447 -9.3447 -9.3443 -9.3443 1.8370 1.8370 1.8378 1.8378 2.6187 2.6187 2.6201 2.6201 3.5661 3.5661 3.5664 3.5664 3.8736 3.8736 3.8767 3.8767 4.9772 4.9772 4.9824 4.9824 5.4860 5.4860 5.4877 5.4877 6.2952 6.2952 6.3058 6.3058 6.6471 6.6471 6.6578 6.6578 7.4799 7.4799 7.4807 7.4807 11.2244 11.2244 11.2347 11.2347 11.3671 11.3671 11.3748 11.3748 11.6458 11.6458 11.6656 11.6656 13.3545 13.3545 13.3601 13.3601 13.7018 13.7018 k = 0.5000-0.3515-0.3978 ( 3392 PWs) bands (ev): -54.1682 -54.1682 -54.1678 -54.1678 -28.5878 -28.5878 -28.5857 -28.5857 -27.8021 -27.8021 -27.7997 -27.7997 -27.6957 -27.6957 -27.6953 -27.6953 -10.7076 -10.7076 -10.7075 -10.7075 -9.5380 -9.5380 -9.5364 -9.5364 -9.3422 -9.3422 -9.3419 -9.3419 1.8489 1.8489 1.8498 1.8498 2.6158 2.6158 2.6174 2.6174 3.5527 3.5527 3.5531 3.5531 3.8845 3.8845 3.8880 3.8880 4.9897 4.9897 4.9957 4.9957 5.4581 5.4581 5.4600 5.4600 6.2778 6.2778 6.2882 6.2882 6.6759 6.6759 6.6864 6.6864 7.4825 7.4825 7.4835 7.4835 11.2172 11.2172 11.2294 11.2294 11.3495 11.3495 11.3559 11.3559 11.6568 11.6568 11.6774 11.6774 13.3503 13.3503 13.3563 13.3563 13.7030 13.7030 k = 0.5000-0.3420-0.4122 ( 3392 PWs) bands (ev): -54.1682 -54.1682 -54.1678 -54.1678 -28.5879 -28.5879 -28.5856 -28.5856 -27.8023 -27.8023 -27.7997 -27.7997 -27.6956 -27.6956 -27.6952 -27.6952 -10.7033 -10.7033 -10.7033 -10.7033 -9.5460 -9.5460 -9.5443 -9.5443 -9.3397 -9.3397 -9.3395 -9.3395 1.8619 1.8619 1.8629 1.8629 2.6129 2.6129 2.6146 2.6146 3.5382 3.5382 3.5387 3.5387 3.8968 3.8968 3.9005 3.9005 5.0028 5.0028 5.0094 5.0094 5.4297 5.4297 5.4318 5.4318 6.2597 6.2597 6.2698 6.2698 6.7044 6.7044 6.7147 6.7147 7.4854 7.4854 7.4864 7.4864 11.2085 11.2085 11.2228 11.2228 11.3330 11.3330 11.3380 11.3380 11.6672 11.6672 11.6885 11.6885 13.3457 13.3457 13.3519 13.3519 13.7046 13.7046 k = 0.5000-0.3324-0.4267 ( 3398 PWs) bands (ev): -54.1682 -54.1682 -54.1678 -54.1678 -28.5880 -28.5880 -28.5855 -28.5855 -27.8025 -27.8025 -27.7996 -27.7996 -27.6955 -27.6955 -27.6952 -27.6952 -10.6988 -10.6988 -10.6987 -10.6987 -9.5544 -9.5544 -9.5526 -9.5526 -9.3371 -9.3371 -9.3370 -9.3370 1.8759 1.8759 1.8769 1.8769 2.6100 2.6100 2.6119 2.6119 3.5227 3.5227 3.5232 3.5232 3.9103 3.9103 3.9144 3.9144 5.0158 5.0158 5.0229 5.0229 5.4017 5.4017 5.4040 5.4040 6.2408 6.2408 6.2507 6.2507 6.7321 6.7321 6.7422 6.7422 7.4885 7.4885 7.4896 7.4896 11.1982 11.1982 11.2144 11.2144 11.3180 11.3180 11.3215 11.3215 11.6769 11.6769 11.6989 11.6989 13.3408 13.3408 13.3471 13.3471 13.7069 13.7069 k = 0.5000-0.3229-0.4411 ( 3398 PWs) bands (ev): -54.1682 -54.1682 -54.1678 -54.1678 -28.5882 -28.5882 -28.5854 -28.5854 -27.8027 -27.8027 -27.7995 -27.7995 -27.6955 -27.6955 -27.6951 -27.6951 -10.6938 -10.6938 -10.6938 -10.6938 -9.5632 -9.5632 -9.5614 -9.5614 -9.3345 -9.3345 -9.3345 -9.3345 1.8905 1.8905 1.8916 1.8916 2.6073 2.6073 2.6093 2.6093 3.5063 3.5063 3.5068 3.5068 3.9251 3.9251 3.9295 3.9295 5.0279 5.0279 5.0355 5.0355 5.3752 5.3752 5.3778 5.3778 6.2213 6.2213 6.2310 6.2310 6.7586 6.7586 6.7685 6.7685 7.4918 7.4918 7.4930 7.4930 11.1861 11.1861 11.2040 11.2040 11.3049 11.3049 11.3073 11.3073 11.6859 11.6859 11.7085 11.7085 13.3356 13.3356 13.3419 13.3419 13.7099 13.7099 k = 0.5000-0.3134-0.4556 ( 3392 PWs) bands (ev): -54.1682 -54.1682 -54.1678 -54.1678 -28.5883 -28.5883 -28.5853 -28.5853 -27.8029 -27.8029 -27.7995 -27.7995 -27.6954 -27.6954 -27.6950 -27.6950 -10.6887 -10.6887 -10.6886 -10.6886 -9.5723 -9.5723 -9.5705 -9.5705 -9.3320 -9.3320 -9.3319 -9.3319 1.9057 1.9057 1.9068 1.9068 2.6050 2.6050 2.6070 2.6070 3.4890 3.4890 3.4896 3.4896 3.9411 3.9411 3.9458 3.9458 5.0380 5.0380 5.0459 5.0459 5.3516 5.3516 5.3545 5.3545 6.2012 6.2012 6.2106 6.2106 6.7835 6.7835 6.7931 6.7931 7.4952 7.4952 7.4964 7.4964 11.1724 11.1724 11.1914 11.1914 11.2938 11.2938 11.2955 11.2955 11.6941 11.6941 11.7173 11.7173 13.3303 13.3303 13.3364 13.3364 13.7135 13.7135 k = 0.5000-0.3038-0.4701 ( 3386 PWs) bands (ev): -54.1682 -54.1682 -54.1678 -54.1678 -28.5885 -28.5885 -28.5852 -28.5852 -27.8031 -27.8031 -27.7994 -27.7994 -27.6953 -27.6953 -27.6950 -27.6950 -10.6833 -10.6833 -10.6832 -10.6832 -9.5816 -9.5816 -9.5798 -9.5798 -9.3296 -9.3296 -9.3293 -9.3293 1.9210 1.9210 1.9221 1.9221 2.6033 2.6033 2.6054 2.6054 3.4711 3.4711 3.4717 3.4717 3.9583 3.9583 3.9632 3.9632 5.0445 5.0445 5.0527 5.0527 5.3325 5.3325 5.3358 5.3358 6.1807 6.1807 6.1897 6.1897 6.8063 6.8063 6.8157 6.8157 7.4987 7.4987 7.4999 7.4999 11.1573 11.1573 11.1769 11.1769 11.2847 11.2847 11.2862 11.2862 11.7016 11.7016 11.7254 11.7254 13.3250 13.3250 13.3308 13.3308 13.7176 13.7176 k = 0.5000-0.2943-0.4845 ( 3382 PWs) bands (ev): -54.1682 -54.1682 -54.1678 -54.1678 -28.5886 -28.5886 -28.5851 -28.5851 -27.8033 -27.8033 -27.7994 -27.7994 -27.6953 -27.6953 -27.6949 -27.6949 -10.6777 -10.6777 -10.6777 -10.6777 -9.5910 -9.5910 -9.5892 -9.5892 -9.3272 -9.3272 -9.3267 -9.3267 1.9361 1.9361 1.9372 1.9372 2.6024 2.6024 2.6045 2.6045 3.4526 3.4526 3.4531 3.4531 3.9767 3.9767 3.9819 3.9819 5.0460 5.0460 5.0541 5.0541 5.3194 5.3194 5.3234 5.3234 6.1597 6.1597 6.1685 6.1685 6.8268 6.8268 6.8359 6.8359 7.5022 7.5022 7.5035 7.5035 11.1412 11.1412 11.1609 11.1609 11.2774 11.2774 11.2791 11.2791 11.7084 11.7084 11.7327 11.7327 13.3197 13.3197 13.3253 13.3253 13.7223 13.7223 k = 0.5000-0.2847-0.4990 ( 3382 PWs) bands (ev): -54.1682 -54.1682 -54.1678 -54.1678 -28.5887 -28.5887 -28.5850 -28.5850 -27.8035 -27.8035 -27.7993 -27.7993 -27.6952 -27.6952 -27.6948 -27.6948 -10.6721 -10.6721 -10.6721 -10.6721 -9.6004 -9.6004 -9.5987 -9.5987 -9.3248 -9.3248 -9.3242 -9.3242 1.9508 1.9508 1.9519 1.9519 2.6026 2.6026 2.6047 2.6047 3.4336 3.4336 3.4341 3.4341 3.9962 3.9962 4.0016 4.0016 5.0412 5.0412 5.0491 5.0491 5.3138 5.3138 5.3186 5.3186 6.1386 6.1386 6.1472 6.1472 6.8447 6.8447 6.8535 6.8535 7.5056 7.5056 7.5070 7.5070 11.1246 11.1246 11.1441 11.1441 11.2716 11.2716 11.2740 11.2740 11.7146 11.7146 11.7392 11.7392 13.3147 13.3147 13.3198 13.3198 13.7274 13.7274 k = 0.5000-0.2752-0.5135 ( 3386 PWs) bands (ev): -54.1682 -54.1682 -54.1678 -54.1678 -28.5888 -28.5888 -28.5850 -28.5850 -27.8037 -27.8037 -27.7993 -27.7993 -27.6951 -27.6951 -27.6947 -27.6947 -10.6665 -10.6665 -10.6665 -10.6665 -9.6097 -9.6097 -9.6081 -9.6081 -9.3226 -9.3226 -9.3217 -9.3217 1.9647 1.9647 1.9656 1.9656 2.6042 2.6042 2.6063 2.6063 3.4141 3.4141 3.4146 3.4146 4.0167 4.0167 4.0224 4.0224 5.0298 5.0298 5.0373 5.0373 5.3159 5.3159 5.3216 5.3216 6.1176 6.1176 6.1258 6.1258 6.8597 6.8597 6.8682 6.8682 7.5090 7.5090 7.5103 7.5103 11.1079 11.1079 11.1270 11.1270 11.2673 11.2673 11.2704 11.2704 11.7200 11.7200 11.7451 11.7451 13.3100 13.3100 13.3147 13.3147 13.7329 13.7329 k = 0.5000-0.2657-0.5279 ( 3380 PWs) bands (ev): -54.1682 -54.1682 -54.1678 -54.1678 -28.5890 -28.5890 -28.5849 -28.5849 -27.8039 -27.8039 -27.7993 -27.7993 -27.6950 -27.6950 -27.6946 -27.6946 -10.6610 -10.6610 -10.6610 -10.6610 -9.6189 -9.6189 -9.6172 -9.6172 -9.3203 -9.3203 -9.3193 -9.3193 1.9773 1.9773 1.9782 1.9782 2.6075 2.6075 2.6095 2.6095 3.3943 3.3943 3.3948 3.3948 4.0382 4.0382 4.0441 4.0441 5.0128 5.0128 5.0199 5.0199 5.3248 5.3248 5.3314 5.3314 6.0967 6.0967 6.1047 6.1047 6.8716 6.8716 6.8798 6.8798 7.5121 7.5121 7.5135 7.5135 11.0914 11.0914 11.1100 11.1100 11.2642 11.2642 11.2681 11.2681 11.7249 11.7249 11.7504 11.7504 13.3057 13.3057 13.3099 13.3099 13.7387 13.7387 k = 0.5000-0.2561-0.5424 ( 3384 PWs) bands (ev): -54.1682 -54.1682 -54.1678 -54.1678 -28.5891 -28.5891 -28.5848 -28.5848 -27.8041 -27.8041 -27.7992 -27.7992 -27.6949 -27.6949 -27.6946 -27.6946 -10.6557 -10.6557 -10.6557 -10.6557 -9.6278 -9.6278 -9.6262 -9.6262 -9.3182 -9.3182 -9.3169 -9.3169 1.9884 1.9884 1.9891 1.9891 2.6127 2.6127 2.6146 2.6146 3.3743 3.3743 3.3747 3.3747 4.0606 4.0606 4.0667 4.0667 4.9914 4.9914 4.9983 4.9983 5.3391 5.3391 5.3465 5.3465 6.0763 6.0763 6.0840 6.0840 6.8804 6.8804 6.8883 6.8883 7.5150 7.5150 7.5164 7.5164 11.0755 11.0755 11.0934 11.0934 11.2621 11.2621 11.2669 11.2669 11.7291 11.7291 11.7550 11.7550 13.3019 13.3019 13.3056 13.3056 13.7446 13.7446 k = 0.5000-0.2466-0.5568 ( 3380 PWs) bands (ev): -54.1682 -54.1682 -54.1678 -54.1678 -28.5892 -28.5892 -28.5848 -28.5848 -27.8043 -27.8043 -27.7992 -27.7992 -27.6948 -27.6948 -27.6945 -27.6945 -10.6506 -10.6506 -10.6506 -10.6506 -9.6363 -9.6363 -9.6347 -9.6347 -9.3161 -9.3161 -9.3146 -9.3146 1.9976 1.9976 1.9982 1.9982 2.6202 2.6202 2.6220 2.6220 3.3540 3.3540 3.3543 3.3543 4.0836 4.0836 4.0900 4.0900 4.9673 4.9673 4.9739 4.9739 5.3574 5.3574 5.3654 5.3654 6.0566 6.0566 6.0640 6.0640 6.8859 6.8859 6.8935 6.8935 7.5174 7.5174 7.5189 7.5189 11.0602 11.0602 11.0776 11.0776 11.2611 11.2611 11.2668 11.2668 11.7329 11.7329 11.7591 11.7591 13.2987 13.2987 13.3019 13.3019 13.7507 13.7507 k = 0.5000-0.2371-0.5713 ( 3372 PWs) bands (ev): -54.1682 -54.1682 -54.1678 -54.1678 -28.5893 -28.5893 -28.5847 -28.5847 -27.8044 -27.8044 -27.7992 -27.7992 -27.6947 -27.6947 -27.6944 -27.6944 -10.6459 -10.6459 -10.6458 -10.6458 -9.6442 -9.6442 -9.6427 -9.6427 -9.3140 -9.3140 -9.3124 -9.3124 2.0047 2.0047 2.0051 2.0051 2.6300 2.6300 2.6316 2.6316 3.3336 3.3336 3.3338 3.3338 4.1072 4.1072 4.1138 4.1138 4.9414 4.9414 4.9478 4.9478 5.3784 5.3784 5.3870 5.3870 6.0379 6.0379 6.0450 6.0450 6.8881 6.8881 6.8955 6.8955 7.5194 7.5194 7.5209 7.5209 11.0459 11.0459 11.0626 11.0626 11.2611 11.2611 11.2677 11.2677 11.7361 11.7361 11.7627 11.7627 13.2961 13.2961 13.2988 13.2988 13.7569 13.7569 k = 0.5000-0.2275-0.5858 ( 3372 PWs) bands (ev): -54.1682 -54.1682 -54.1678 -54.1678 -28.5894 -28.5894 -28.5847 -28.5847 -27.8046 -27.8046 -27.7992 -27.7992 -27.6947 -27.6947 -27.6943 -27.6943 -10.6416 -10.6416 -10.6415 -10.6415 -9.6516 -9.6516 -9.6501 -9.6501 -9.3120 -9.3120 -9.3102 -9.3102 2.0094 2.0094 2.0097 2.0097 2.6423 2.6423 2.6437 2.6437 3.3131 3.3131 3.3132 3.3132 4.1311 4.1311 4.1378 4.1378 4.9148 4.9148 4.9210 4.9210 5.4014 5.4014 5.4104 5.4104 6.0205 6.0205 6.0272 6.0272 6.8871 6.8871 6.8942 6.8942 7.5207 7.5207 7.5223 7.5223 11.0326 11.0326 11.0487 11.0487 11.2620 11.2620 11.2695 11.2695 11.7389 11.7389 11.7658 11.7658 13.2943 13.2943 13.2964 13.2964 13.7631 13.7631 k = 0.5000-0.2180-0.6002 ( 3372 PWs) bands (ev): -54.1682 -54.1682 -54.1678 -54.1678 -28.5895 -28.5895 -28.5846 -28.5846 -27.8047 -27.8047 -27.7992 -27.7992 -27.6946 -27.6946 -27.6942 -27.6942 -10.6378 -10.6378 -10.6377 -10.6377 -9.6582 -9.6582 -9.6567 -9.6567 -9.3101 -9.3101 -9.3080 -9.3080 2.0118 2.0118 2.0118 2.0118 2.6571 2.6571 2.6583 2.6583 3.2926 3.2926 3.2926 3.2926 4.1550 4.1550 4.1619 4.1619 4.8880 4.8880 4.8941 4.8941 5.4255 5.4255 5.4349 5.4349 6.0046 6.0046 6.0109 6.0109 6.8830 6.8830 6.8898 6.8898 7.5213 7.5213 7.5230 7.5230 11.0205 11.0205 11.0360 11.0360 11.2639 11.2639 11.2721 11.2721 11.7413 11.7413 11.7684 11.7684 13.2931 13.2931 13.2947 13.2947 13.7688 13.7688 k = 0.5000-0.2085-0.6147 ( 3372 PWs) bands (ev): -54.1682 -54.1682 -54.1678 -54.1678 -28.5896 -28.5896 -28.5846 -28.5846 -27.8049 -27.8049 -27.7992 -27.7992 -27.6945 -27.6945 -27.6941 -27.6941 -10.6347 -10.6347 -10.6345 -10.6345 -9.6640 -9.6640 -9.6626 -9.6626 -9.3082 -9.3082 -9.3060 -9.3060 2.0116 2.0116 2.0118 2.0118 2.6742 2.6742 2.6752 2.6752 3.2720 3.2720 3.2722 3.2722 4.1785 4.1785 4.1856 4.1856 4.8616 4.8616 4.8676 4.8676 5.4504 5.4504 5.4600 5.4600 5.9906 5.9906 5.9965 5.9965 6.8758 6.8758 6.8823 6.8823 7.5211 7.5211 7.5229 7.5229 11.0096 11.0096 11.0245 11.0245 11.2666 11.2666 11.2756 11.2756 11.7433 11.7433 11.7707 11.7707 13.2927 13.2927 13.2938 13.2938 13.7743 13.7743 k = 0.5000-0.1989-0.6292 ( 3374 PWs) bands (ev): -54.1682 -54.1682 -54.1678 -54.1678 -28.5897 -28.5897 -28.5845 -28.5845 -27.8050 -27.8050 -27.7992 -27.7992 -27.6944 -27.6944 -27.6940 -27.6940 -10.6323 -10.6323 -10.6321 -10.6321 -9.6689 -9.6689 -9.6675 -9.6675 -9.3063 -9.3063 -9.3039 -9.3039 2.0091 2.0091 2.0095 2.0095 2.6934 2.6934 2.6943 2.6943 3.2516 3.2516 3.2520 3.2520 4.2012 4.2012 4.2085 4.2085 4.8363 4.8363 4.8420 4.8420 5.4756 5.4756 5.4853 5.4853 5.9789 5.9789 5.9842 5.9842 6.8658 6.8658 6.8720 6.8720 7.5199 7.5199 7.5219 7.5219 11.0000 11.0000 11.0144 11.0144 11.2702 11.2702 11.2800 11.2800 11.7449 11.7449 11.7725 11.7725 13.2930 13.2930 13.2936 13.2936 13.7796 13.7796 k = 0.5000-0.1894-0.6436 ( 3370 PWs) bands (ev): -54.1682 -54.1682 -54.1678 -54.1678 -28.5897 -28.5897 -28.5845 -28.5845 -27.8051 -27.8051 -27.7992 -27.7992 -27.6943 -27.6943 -27.6940 -27.6940 -10.6307 -10.6307 -10.6304 -10.6304 -9.6728 -9.6728 -9.6713 -9.6713 -9.3045 -9.3045 -9.3020 -9.3020 2.0044 2.0044 2.0050 2.0050 2.7145 2.7145 2.7151 2.7151 3.2314 3.2314 3.2320 3.2320 4.2225 4.2225 4.2298 4.2298 4.8126 4.8126 4.8181 4.8181 5.5006 5.5006 5.5104 5.5104 5.9696 5.9696 5.9743 5.9743 6.8531 6.8531 6.8591 6.8591 7.5177 7.5177 7.5198 7.5198 10.9918 10.9918 11.0056 11.0056 11.2747 11.2747 11.2851 11.2851 11.7462 11.7462 11.7741 11.7741 13.2940 13.2940 13.2942 13.2942 13.7847 13.7847 k = 0.5000-0.1799-0.6581 ( 3372 PWs) bands (ev): -54.1682 -54.1682 -54.1678 -54.1678 -28.5898 -28.5898 -28.5844 -28.5844 -27.8052 -27.8052 -27.7992 -27.7992 -27.6942 -27.6942 -27.6939 -27.6939 -10.6299 -10.6299 -10.6296 -10.6296 -9.6755 -9.6755 -9.6741 -9.6741 -9.3027 -9.3027 -9.3000 -9.3000 1.9979 1.9979 1.9986 1.9986 2.7370 2.7370 2.7375 2.7375 3.2117 3.2117 3.2124 3.2124 4.2415 4.2415 4.2488 4.2488 4.7913 4.7913 4.7965 4.7965 5.5253 5.5253 5.5350 5.5350 5.9631 5.9631 5.9671 5.9671 6.8381 6.8381 6.8439 6.8439 7.5144 7.5144 7.5167 7.5167 10.9848 10.9848 10.9981 10.9981 11.2799 11.2799 11.2910 11.2910 11.7472 11.7472 11.7753 11.7753 13.2955 13.2955 13.2958 13.2958 13.7897 13.7897 k = 0.5000-0.1703-0.6725 ( 3378 PWs) bands (ev): -54.1682 -54.1682 -54.1678 -54.1678 -28.5898 -28.5898 -28.5844 -28.5844 -27.8053 -27.8053 -27.7992 -27.7992 -27.6942 -27.6942 -27.6938 -27.6938 -10.6301 -10.6301 -10.6297 -10.6297 -9.6771 -9.6771 -9.6757 -9.6757 -9.3010 -9.3010 -9.2981 -9.2981 1.9896 1.9896 1.9906 1.9906 2.7606 2.7606 2.7610 2.7610 3.1924 3.1924 3.1934 3.1934 4.2574 4.2574 4.2645 4.2645 4.7734 4.7734 4.7780 4.7780 5.5492 5.5492 5.5587 5.5587 5.9598 5.9598 5.9629 5.9629 6.8210 6.8210 6.8265 6.8265 7.5099 7.5099 7.5124 7.5124 10.9792 10.9792 10.9920 10.9920 11.2859 11.2859 11.2975 11.2975 11.7479 11.7479 11.7762 11.7762 13.2975 13.2975 13.2982 13.2982 13.7945 13.7945 k = 0.5000-0.1608-0.6870 ( 3378 PWs) bands (ev): -54.1682 -54.1682 -54.1678 -54.1678 -28.5899 -28.5899 -28.5844 -28.5844 -27.8054 -27.8054 -27.7992 -27.7992 -27.6941 -27.6941 -27.6937 -27.6937 -10.6313 -10.6313 -10.6308 -10.6308 -9.6775 -9.6775 -9.6761 -9.6761 -9.2993 -9.2993 -9.2963 -9.2963 1.9800 1.9800 1.9811 1.9811 2.7848 2.7848 2.7850 2.7850 3.1740 3.1740 3.1752 3.1752 4.2691 4.2691 4.2759 4.2759 4.7598 4.7598 4.7637 4.7637 5.5721 5.5721 5.5813 5.5813 5.9597 5.9597 5.9619 5.9619 6.8023 6.8023 6.8074 6.8074 7.5042 7.5042 7.5069 7.5069 10.9750 10.9750 10.9873 10.9873 11.2926 11.2926 11.3047 11.3047 11.7483 11.7483 11.7768 11.7768 13.3003 13.3003 13.3013 13.3013 13.7991 13.7991 k = 0.5000-0.1512-0.7015 ( 3378 PWs) bands (ev): -54.1682 -54.1682 -54.1678 -54.1678 -28.5899 -28.5899 -28.5843 -28.5843 -27.8055 -27.8055 -27.7992 -27.7992 -27.6940 -27.6940 -27.6937 -27.6937 -10.6335 -10.6335 -10.6329 -10.6329 -9.6766 -9.6766 -9.6752 -9.6752 -9.2976 -9.2976 -9.2945 -9.2945 1.9692 1.9692 1.9704 1.9704 2.8089 2.8089 2.8089 2.8089 3.1566 3.1566 3.1580 3.1580 4.2755 4.2755 4.2819 4.2819 4.7515 4.7515 4.7546 4.7546 5.5937 5.5937 5.6025 5.6025 5.9631 5.9631 5.9642 5.9642 6.7821 6.7821 6.7870 6.7870 7.4972 7.4972 7.5001 7.5001 10.9721 10.9721 10.9840 10.9840 11.3000 11.3000 11.3125 11.3125 11.7485 11.7485 11.7771 11.7771 13.3036 13.3036 13.3050 13.3050 13.8035 13.8035 k = 0.5000-0.1417-0.7159 ( 3376 PWs) bands (ev): -54.1682 -54.1682 -54.1678 -54.1678 -28.5900 -28.5900 -28.5843 -28.5843 -27.8056 -27.8056 -27.7992 -27.7992 -27.6940 -27.6940 -27.6936 -27.6936 -10.6366 -10.6366 -10.6360 -10.6360 -9.6744 -9.6744 -9.6730 -9.6730 -9.2960 -9.2960 -9.2927 -9.2927 1.9575 1.9575 1.9588 1.9588 2.8322 2.8322 2.8322 2.8322 3.1407 3.1407 3.1424 3.1424 4.2758 4.2758 4.2816 4.2816 4.7492 4.7492 4.7514 4.7514 5.6136 5.6136 5.6221 5.6221 5.9699 5.9699 5.9700 5.9700 6.7611 6.7611 6.7656 6.7656 7.4889 7.4889 7.4921 7.4921 10.9705 10.9705 10.9821 10.9821 11.3079 11.3079 11.3208 11.3208 11.7484 11.7484 11.7771 11.7771 13.3076 13.3076 13.3092 13.3092 13.8077 13.8077 k = 0.7826-0.0116-0.4123 ( 3376 PWs) bands (ev): -54.1682 -54.1682 -54.1678 -54.1678 -28.5900 -28.5900 -28.5843 -28.5843 -27.8056 -27.8056 -27.7992 -27.7992 -27.6940 -27.6940 -27.6936 -27.6936 -10.6366 -10.6366 -10.6361 -10.6361 -9.6744 -9.6744 -9.6730 -9.6730 -9.2960 -9.2960 -9.2927 -9.2927 1.9575 1.9575 1.9588 1.9588 2.8322 2.8322 2.8322 2.8322 3.1407 3.1407 3.1424 3.1424 4.2758 4.2758 4.2816 4.2816 4.7492 4.7492 4.7514 4.7514 5.6136 5.6136 5.6221 5.6221 5.9699 5.9699 5.9700 5.9700 6.7611 6.7611 6.7656 6.7656 7.4889 7.4889 7.4921 7.4921 10.9705 10.9705 10.9821 10.9821 11.3079 11.3079 11.3208 11.3208 11.7484 11.7484 11.7771 11.7771 13.3076 13.3076 13.3092 13.3092 13.8077 13.8077 k = 0.7754-0.0054-0.3978 ( 3372 PWs) bands (ev): -54.1682 -54.1682 -54.1678 -54.1678 -28.5900 -28.5900 -28.5843 -28.5843 -27.8056 -27.8056 -27.7992 -27.7992 -27.6939 -27.6939 -27.6935 -27.6935 -10.6409 -10.6409 -10.6402 -10.6402 -9.6709 -9.6709 -9.6695 -9.6695 -9.2943 -9.2943 -9.2910 -9.2910 1.9450 1.9450 1.9464 1.9464 2.8539 2.8539 2.8540 2.8540 3.1269 3.1269 3.1287 3.1287 4.2696 4.2696 4.2747 4.2747 4.7534 4.7534 4.7544 4.7544 5.6319 5.6319 5.6398 5.6398 5.9791 5.9791 5.9802 5.9802 6.7395 6.7395 6.7437 6.7437 7.4795 7.4795 7.4829 7.4829 10.9702 10.9702 10.9814 10.9814 11.3163 11.3163 11.3295 11.3295 11.7479 11.7479 11.7768 11.7768 13.3122 13.3122 13.3141 13.3141 13.8116 13.8116 k = 0.7681 0.0008-0.3834 ( 3368 PWs) bands (ev): -54.1682 -54.1682 -54.1678 -54.1678 -28.5900 -28.5900 -28.5843 -28.5843 -27.8056 -27.8056 -27.7992 -27.7992 -27.6939 -27.6939 -27.6935 -27.6935 -10.6461 -10.6461 -10.6454 -10.6454 -9.6661 -9.6661 -9.6647 -9.6647 -9.2927 -9.2927 -9.2893 -9.2893 1.9321 1.9321 1.9336 1.9336 2.8730 2.8730 2.8730 2.8730 3.1160 3.1160 3.1179 3.1179 4.2571 4.2571 4.2614 4.2614 4.7635 4.7635 4.7636 4.7636 5.6482 5.6482 5.6556 5.6556 5.9914 5.9914 5.9938 5.9938 6.7180 6.7180 6.7218 6.7218 7.4688 7.4688 7.4724 7.4724 10.9712 10.9712 10.9821 10.9821 11.3252 11.3252 11.3387 11.3387 11.7472 11.7472 11.7762 11.7762 13.3174 13.3174 13.3194 13.3194 13.8153 13.8153 k = 0.7609 0.0070-0.3689 ( 3372 PWs) bands (ev): -54.1682 -54.1682 -54.1678 -54.1678 -28.5900 -28.5900 -28.5842 -28.5842 -27.8057 -27.8057 -27.7992 -27.7992 -27.6938 -27.6938 -27.6934 -27.6934 -10.6524 -10.6524 -10.6516 -10.6516 -9.6601 -9.6601 -9.6586 -9.6586 -9.2911 -9.2911 -9.2876 -9.2876 1.9188 1.9188 1.9204 1.9204 2.8882 2.8882 2.8883 2.8883 3.1090 3.1090 3.1109 3.1109 4.2390 4.2390 4.2426 4.2426 4.7781 4.7781 4.7792 4.7792 5.6625 5.6625 5.6695 5.6695 6.0067 6.0067 6.0103 6.0103 6.6970 6.6970 6.7004 6.7004 7.4570 7.4570 7.4608 7.4608 10.9734 10.9734 10.9841 10.9841 11.3344 11.3344 11.3481 11.3481 11.7462 11.7462 11.7753 11.7753 13.3230 13.3230 13.3253 13.3253 13.8188 13.8188 k = 0.7536 0.0132-0.3545 ( 3370 PWs) bands (ev): -54.1682 -54.1682 -54.1678 -54.1678 -28.5900 -28.5900 -28.5842 -28.5842 -27.8057 -27.8057 -27.7992 -27.7992 -27.6938 -27.6938 -27.6934 -27.6934 -10.6595 -10.6595 -10.6587 -10.6587 -9.6528 -9.6528 -9.6513 -9.6513 -9.2896 -9.2896 -9.2860 -9.2860 1.9054 1.9054 1.9071 1.9071 2.8982 2.8982 2.8986 2.8986 3.1067 3.1067 3.1085 3.1085 4.2161 4.2161 4.2193 4.2193 4.7971 4.7971 4.7991 4.7991 5.6747 5.6747 5.6814 5.6814 6.0247 6.0247 6.0293 6.0293 6.6770 6.6770 6.6800 6.6800 7.4440 7.4440 7.4481 7.4481 10.9768 10.9768 10.9873 10.9873 11.3440 11.3440 11.3578 11.3578 11.7448 11.7448 11.7741 11.7741 13.3292 13.3292 13.3316 13.3316 13.8220 13.8220 k = 0.7464 0.0194-0.3400 ( 3364 PWs) bands (ev): -54.1682 -54.1682 -54.1678 -54.1678 -28.5900 -28.5900 -28.5842 -28.5842 -27.8057 -27.8057 -27.7992 -27.7992 -27.6937 -27.6937 -27.6933 -27.6933 -10.6676 -10.6676 -10.6667 -10.6667 -9.6444 -9.6444 -9.6429 -9.6429 -9.2881 -9.2881 -9.2844 -9.2844 1.8920 1.8920 1.8937 1.8937 2.9025 2.9025 2.9032 2.9032 3.1096 3.1096 3.1111 3.1111 4.1897 4.1897 4.1924 4.1924 4.8196 4.8196 4.8224 4.8224 5.6848 5.6848 5.6912 5.6912 6.0448 6.0448 6.0505 6.0505 6.6587 6.6587 6.6612 6.6612 7.4301 7.4301 7.4345 7.4345 10.9814 10.9814 10.9918 10.9918 11.3537 11.3537 11.3676 11.3676 11.7431 11.7431 11.7725 11.7725 13.3359 13.3359 13.3384 13.3384 13.8249 13.8249 k = 0.7391 0.0256-0.3255 ( 3364 PWs) bands (ev): -54.1682 -54.1682 -54.1678 -54.1678 -28.5900 -28.5900 -28.5842 -28.5842 -27.8056 -27.8056 -27.7992 -27.7992 -27.6937 -27.6937 -27.6933 -27.6933 -10.6765 -10.6765 -10.6756 -10.6756 -9.6349 -9.6349 -9.6334 -9.6334 -9.2865 -9.2865 -9.2828 -9.2828 1.8788 1.8788 1.8806 1.8806 2.9013 2.9013 2.9025 2.9025 3.1170 3.1170 3.1182 3.1182 4.1607 4.1607 4.1631 4.1631 4.8448 4.8448 4.8483 4.8483 5.6926 5.6926 5.6989 5.6989 6.0668 6.0668 6.0733 6.0733 6.6426 6.6426 6.6446 6.6446 7.4153 7.4153 7.4199 7.4199 10.9871 10.9871 10.9974 10.9974 11.3637 11.3637 11.3776 11.3776 11.7410 11.7410 11.7705 11.7705 13.3430 13.3430 13.3456 13.3456 13.8275 13.8275 k = 0.7319 0.0318-0.3111 ( 3364 PWs) bands (ev): -54.1682 -54.1682 -54.1678 -54.1678 -28.5899 -28.5899 -28.5842 -28.5842 -27.8056 -27.8056 -27.7992 -27.7992 -27.6936 -27.6936 -27.6932 -27.6932 -10.6862 -10.6862 -10.6852 -10.6852 -9.6244 -9.6244 -9.6229 -9.6229 -9.2850 -9.2850 -9.2813 -9.2813 1.8658 1.8658 1.8677 1.8677 2.8956 2.8956 2.8972 2.8972 3.1278 3.1278 3.1287 3.1287 4.1301 4.1301 4.1323 4.1323 4.8719 4.8719 4.8759 4.8759 5.6979 5.6979 5.7042 5.7042 6.0902 6.0902 6.0974 6.0974 6.6292 6.6292 6.6307 6.6307 7.3998 7.3998 7.4046 7.4046 10.9940 10.9940 11.0041 11.0041 11.3737 11.3737 11.3876 11.3876 11.7385 11.7385 11.7681 11.7681 13.3506 13.3506 13.3532 13.3532 13.8298 13.8298 k = 0.7247 0.0380-0.2966 ( 3380 PWs) bands (ev): -54.1682 -54.1682 -54.1678 -54.1678 -28.5899 -28.5899 -28.5842 -28.5842 -27.8056 -27.8056 -27.7992 -27.7992 -27.6936 -27.6936 -27.6932 -27.6932 -10.6965 -10.6965 -10.6955 -10.6955 -9.6130 -9.6130 -9.6114 -9.6114 -9.2836 -9.2836 -9.2798 -9.2798 1.8532 1.8532 1.8551 1.8551 2.8866 2.8866 2.8887 2.8887 3.1402 3.1402 3.1408 3.1408 4.0987 4.0987 4.1008 4.1008 4.9002 4.9002 4.9046 4.9046 5.7006 5.7006 5.7071 5.7071 6.1148 6.1148 6.1225 6.1225 6.6189 6.6189 6.6199 6.6199 7.3838 7.3838 7.3888 7.3888 11.0019 11.0019 11.0120 11.0120 11.3837 11.3837 11.3975 11.3975 11.7356 11.7356 11.7653 11.7653 13.3586 13.3586 13.3612 13.3612 13.8318 13.8318 k = 0.7174 0.0442-0.2821 ( 3374 PWs) bands (ev): -54.1682 -54.1682 -54.1678 -54.1678 -28.5899 -28.5899 -28.5842 -28.5842 -27.8055 -27.8055 -27.7991 -27.7991 -27.6936 -27.6936 -27.6932 -27.6932 -10.7074 -10.7074 -10.7063 -10.7063 -9.6007 -9.6007 -9.5992 -9.5992 -9.2821 -9.2821 -9.2783 -9.2783 1.8411 1.8411 1.8431 1.8431 2.8755 2.8755 2.8779 2.8779 3.1529 3.1529 3.1532 3.1532 4.0673 4.0673 4.0694 4.0694 4.9293 4.9293 4.9340 4.9340 5.7006 5.7006 5.7074 5.7074 6.1400 6.1400 6.1482 6.1482 6.6121 6.6121 6.6127 6.6127 7.3673 7.3673 7.3726 7.3726 11.0108 11.0108 11.0210 11.0210 11.3936 11.3936 11.4075 11.4075 11.7323 11.7323 11.7621 11.7621 13.3670 13.3670 13.3695 13.3695 13.8335 13.8335 k = 0.7102 0.0504-0.2677 ( 3376 PWs) bands (ev): -54.1682 -54.1682 -54.1678 -54.1678 -28.5898 -28.5898 -28.5842 -28.5842 -27.8054 -27.8054 -27.7991 -27.7991 -27.6936 -27.6936 -27.6932 -27.6932 -10.7188 -10.7188 -10.7177 -10.7177 -9.5877 -9.5877 -9.5862 -9.5862 -9.2807 -9.2807 -9.2769 -9.2769 1.8296 1.8296 1.8316 1.8316 2.8631 2.8631 2.8658 2.8658 3.1645 3.1645 3.1645 3.1645 4.0367 4.0367 4.0387 4.0387 4.9588 4.9588 4.9638 4.9638 5.6978 5.6978 5.7049 5.7049 6.1658 6.1658 6.1743 6.1743 6.6091 6.6091 6.6092 6.6092 7.3508 7.3508 7.3562 7.3562 11.0208 11.0208 11.0310 11.0310 11.4035 11.4035 11.4173 11.4173 11.7285 11.7285 11.7585 11.7585 13.3759 13.3759 13.3783 13.3783 13.8347 13.8347 k = 0.7029 0.0566-0.2532 ( 3380 PWs) bands (ev): -54.1682 -54.1682 -54.1678 -54.1678 -28.5897 -28.5897 -28.5842 -28.5842 -27.8053 -27.8053 -27.7991 -27.7991 -27.6935 -27.6935 -27.6932 -27.6932 -10.7306 -10.7306 -10.7295 -10.7295 -9.5741 -9.5741 -9.5726 -9.5726 -9.2793 -9.2793 -9.2755 -9.2755 1.8187 1.8187 1.8207 1.8207 2.8500 2.8500 2.8530 2.8530 3.1739 3.1739 3.1741 3.1741 4.0075 4.0075 4.0096 4.0096 4.9882 4.9882 4.9934 4.9934 5.6922 5.6922 5.6996 5.6996 6.1919 6.1919 6.2005 6.2005 6.6095 6.6095 6.6099 6.6099 7.3343 7.3343 7.3399 7.3399 11.0317 11.0317 11.0420 11.0420 11.4133 11.4133 11.4269 11.4269 11.7243 11.7243 11.7544 11.7544 13.3851 13.3851 13.3874 13.3874 13.8356 13.8356 k = 0.6957 0.0628-0.2387 ( 3376 PWs) bands (ev): -54.1682 -54.1682 -54.1678 -54.1678 -28.5897 -28.5897 -28.5842 -28.5842 -27.8052 -27.8052 -27.7991 -27.7991 -27.6935 -27.6935 -27.6932 -27.6932 -10.7428 -10.7428 -10.7417 -10.7417 -9.5600 -9.5600 -9.5584 -9.5584 -9.2779 -9.2779 -9.2741 -9.2741 1.8085 1.8085 1.8106 1.8106 2.8365 2.8365 2.8397 2.8397 3.1805 3.1805 3.1808 3.1808 3.9805 3.9805 3.9827 3.9827 5.0175 5.0175 5.0228 5.0228 5.6839 5.6839 5.6917 5.6917 6.2179 6.2179 6.2266 6.2266 6.6136 6.6136 6.6143 6.6143 7.3183 7.3183 7.3240 7.3240 11.0436 11.0436 11.0539 11.0539 11.4228 11.4228 11.4364 11.4364 11.7197 11.7197 11.7499 11.7499 13.3947 13.3947 13.3969 13.3969 13.8361 13.8361 k = 0.6884 0.0690-0.2243 ( 3380 PWs) bands (ev): -54.1682 -54.1682 -54.1678 -54.1678 -28.5896 -28.5896 -28.5842 -28.5842 -27.8051 -27.8051 -27.7991 -27.7991 -27.6935 -27.6935 -27.6931 -27.6931 -10.7552 -10.7552 -10.7540 -10.7540 -9.5454 -9.5454 -9.5439 -9.5439 -9.2765 -9.2765 -9.2728 -9.2728 1.7991 1.7991 1.8012 1.8012 2.8229 2.8229 2.8264 2.8264 3.1835 3.1835 3.1841 3.1841 3.9563 3.9563 3.9585 3.9585 5.0463 5.0463 5.0517 5.0517 5.6730 5.6730 5.6812 5.6812 6.2436 6.2436 6.2523 6.2523 6.6211 6.6211 6.6222 6.6222 7.3029 7.3029 7.3088 7.3088 11.0563 11.0563 11.0668 11.0668 11.4321 11.4321 11.4455 11.4455 11.7146 11.7146 11.7450 11.7450 13.4047 13.4047 13.4067 13.4067 13.8361 13.8361 k = 0.6812 0.0752-0.2098 ( 3384 PWs) bands (ev): -54.1682 -54.1682 -54.1678 -54.1678 -28.5895 -28.5895 -28.5842 -28.5842 -27.8050 -27.8050 -27.7991 -27.7991 -27.6935 -27.6935 -27.6931 -27.6931 -10.7677 -10.7677 -10.7666 -10.7666 -9.5305 -9.5305 -9.5290 -9.5290 -9.2752 -9.2752 -9.2715 -9.2715 1.7906 1.7906 1.7927 1.7927 2.8095 2.8095 2.8131 2.8131 3.1824 3.1824 3.1832 3.1832 3.9353 3.9353 3.9376 3.9376 5.0746 5.0746 5.0800 5.0800 5.6600 5.6600 5.6685 5.6685 6.2686 6.2686 6.2773 6.2773 6.6319 6.6319 6.6333 6.6333 7.2887 7.2887 7.2947 7.2947 11.0699 11.0699 11.0806 11.0806 11.4411 11.4411 11.4544 11.4544 11.7091 11.7091 11.7397 11.7397 13.4150 13.4150 13.4168 13.4168 13.8356 13.8356 k = 0.6739 0.0814-0.1953 ( 3390 PWs) bands (ev): -54.1682 -54.1682 -54.1679 -54.1679 -28.5894 -28.5894 -28.5843 -28.5843 -27.8049 -27.8049 -27.7991 -27.7991 -27.6935 -27.6935 -27.6932 -27.6932 -10.7803 -10.7803 -10.7792 -10.7792 -9.5154 -9.5154 -9.5138 -9.5138 -9.2739 -9.2739 -9.2703 -9.2703 1.7828 1.7828 1.7850 1.7850 2.7963 2.7963 2.8001 2.8001 3.1770 3.1770 3.1780 3.1780 3.9179 3.9179 3.9203 3.9203 5.1020 5.1020 5.1075 5.1075 5.6452 5.6452 5.6539 5.6539 6.2925 6.2925 6.3011 6.3011 6.6455 6.6455 6.6472 6.6472 7.2759 7.2759 7.2819 7.2819 11.0843 11.0843 11.0951 11.0951 11.4497 11.4497 11.4629 11.4629 11.7032 11.7032 11.7340 11.7340 13.4256 13.4256 13.4272 13.4272 13.8347 13.8347 k = 0.6667 0.0876-0.1809 ( 3392 PWs) bands (ev): -54.1682 -54.1682 -54.1679 -54.1679 -28.5893 -28.5893 -28.5843 -28.5843 -27.8047 -27.8047 -27.7991 -27.7991 -27.6935 -27.6935 -27.6932 -27.6932 -10.7930 -10.7930 -10.7919 -10.7919 -9.5001 -9.5001 -9.4986 -9.4986 -9.2726 -9.2726 -9.2691 -9.2691 1.7760 1.7760 1.7782 1.7782 2.7836 2.7836 2.7874 2.7874 3.1671 3.1671 3.1683 3.1683 3.9042 3.9042 3.9067 3.9067 5.1287 5.1287 5.1341 5.1341 5.6291 5.6291 5.6380 5.6380 6.3147 6.3147 6.3232 6.3232 6.6616 6.6616 6.6636 6.6636 7.2648 7.2648 7.2708 7.2708 11.0995 11.0995 11.1105 11.1105 11.4579 11.4579 11.4711 11.4711 11.6970 11.6970 11.7280 11.7280 13.4366 13.4366 13.4380 13.4380 13.8333 13.8333 k = 0.6594 0.0938-0.1664 ( 3390 PWs) bands (ev): -54.1682 -54.1682 -54.1679 -54.1679 -28.5892 -28.5892 -28.5843 -28.5843 -27.8046 -27.8046 -27.7991 -27.7991 -27.6935 -27.6935 -27.6932 -27.6932 -10.8056 -10.8056 -10.8045 -10.8045 -9.4847 -9.4847 -9.4832 -9.4832 -9.2714 -9.2714 -9.2679 -9.2679 1.7701 1.7701 1.7724 1.7724 2.7712 2.7712 2.7752 2.7752 3.1527 3.1527 3.1541 3.1541 3.8943 3.8943 3.8968 3.8968 5.1544 5.1544 5.1598 5.1598 5.6121 5.6121 5.6212 5.6212 6.3347 6.3347 6.3431 6.3431 6.6801 6.6801 6.6823 6.6823 7.2558 7.2558 7.2618 7.2618 11.1153 11.1153 11.1266 11.1266 11.4657 11.4657 11.4788 11.4788 11.6904 11.6904 11.7216 11.7216 13.4478 13.4478 13.4490 13.4490 13.8314 13.8314 k = 0.6522 0.1000-0.1519 ( 3390 PWs) bands (ev): -54.1682 -54.1682 -54.1679 -54.1679 -28.5891 -28.5891 -28.5843 -28.5843 -27.8044 -27.8044 -27.7991 -27.7991 -27.6935 -27.6935 -27.6932 -27.6932 -10.8180 -10.8180 -10.8169 -10.8169 -9.4694 -9.4694 -9.4679 -9.4679 -9.2702 -9.2702 -9.2668 -9.2668 1.7651 1.7651 1.7674 1.7674 2.7594 2.7594 2.7634 2.7634 3.1342 3.1342 3.1358 3.1358 3.8878 3.8878 3.8904 3.8904 5.1791 5.1791 5.1844 5.1844 5.5947 5.5947 5.6039 5.6039 6.3518 6.3518 6.3600 6.3600 6.7007 6.7007 6.7032 6.7032 7.2492 7.2492 7.2550 7.2550 11.1318 11.1318 11.1433 11.1433 11.4730 11.4730 11.4861 11.4861 11.6835 11.6835 11.7149 11.7149 13.4593 13.4593 13.4604 13.4604 13.8291 13.8291 k = 0.6449 0.1062-0.1375 ( 3386 PWs) bands (ev): -54.1682 -54.1682 -54.1679 -54.1679 -28.5889 -28.5889 -28.5844 -28.5844 -27.8042 -27.8042 -27.7991 -27.7991 -27.6936 -27.6936 -27.6932 -27.6932 -10.8303 -10.8303 -10.8292 -10.8292 -9.4542 -9.4542 -9.4528 -9.4528 -9.2690 -9.2690 -9.2657 -9.2657 1.7611 1.7611 1.7634 1.7634 2.7481 2.7481 2.7522 2.7522 3.1121 3.1121 3.1138 3.1138 3.8845 3.8845 3.8871 3.8871 5.2028 5.2028 5.2079 5.2079 5.5773 5.5773 5.5865 5.5865 6.3655 6.3655 6.3734 6.3734 6.7234 6.7234 6.7262 6.7262 7.2451 7.2451 7.2507 7.2507 11.1490 11.1490 11.1607 11.1607 11.4797 11.4797 11.4928 11.4928 11.6763 11.6763 11.7080 11.7080 13.4711 13.4711 13.4719 13.4719 13.8262 13.8262 k = 0.6377 0.1124-0.1230 ( 3386 PWs) bands (ev): -54.1682 -54.1682 -54.1679 -54.1679 -28.5888 -28.5888 -28.5844 -28.5844 -27.8040 -27.8040 -27.7991 -27.7991 -27.6936 -27.6936 -27.6932 -27.6932 -10.8423 -10.8423 -10.8413 -10.8413 -9.4392 -9.4392 -9.4378 -9.4378 -9.2679 -9.2679 -9.2647 -9.2647 1.7580 1.7580 1.7604 1.7604 2.7375 2.7375 2.7415 2.7415 3.0868 3.0868 3.0887 3.0887 3.8837 3.8837 3.8864 3.8864 5.2254 5.2254 5.2304 5.2304 5.5602 5.5602 5.5694 5.5694 6.3751 6.3751 6.3827 6.3827 6.7482 6.7482 6.7511 6.7511 7.2435 7.2435 7.2489 7.2489 11.1666 11.1666 11.1786 11.1786 11.4860 11.4860 11.4990 11.4990 11.6690 11.6690 11.7009 11.7009 13.4831 13.4831 13.4837 13.4837 13.8229 13.8229 k = 0.6304 0.1186-0.1086 ( 3382 PWs) bands (ev): -54.1682 -54.1682 -54.1679 -54.1679 -28.5887 -28.5887 -28.5844 -28.5844 -27.8039 -27.8039 -27.7991 -27.7991 -27.6936 -27.6936 -27.6932 -27.6932 -10.8540 -10.8540 -10.8530 -10.8530 -9.4245 -9.4245 -9.4231 -9.4231 -9.2668 -9.2668 -9.2638 -9.2638 1.7559 1.7559 1.7583 1.7583 2.7274 2.7274 2.7313 2.7313 3.0590 3.0590 3.0610 3.0610 3.8850 3.8850 3.8877 3.8877 5.2469 5.2469 5.2518 5.2518 5.5439 5.5439 5.5530 5.5530 6.3805 6.3805 6.3877 6.3877 6.7750 6.7750 6.7779 6.7779 7.2444 7.2444 7.2495 7.2495 11.1847 11.1847 11.1970 11.1970 11.4916 11.4916 11.5047 11.5047 11.6615 11.6615 11.6936 11.6936 13.4952 13.4952 13.4956 13.4956 13.8191 13.8191 k = 0.6232 0.1248-0.0941 ( 3376 PWs) bands (ev): -54.1682 -54.1682 -54.1679 -54.1679 -28.5885 -28.5885 -28.5845 -28.5845 -27.8037 -27.8037 -27.7991 -27.7991 -27.6936 -27.6936 -27.6933 -27.6933 -10.8653 -10.8653 -10.8644 -10.8644 -9.4101 -9.4101 -9.4088 -9.4088 -9.2657 -9.2657 -9.2628 -9.2628 1.7546 1.7546 1.7570 1.7570 2.7179 2.7179 2.7218 2.7218 3.0293 3.0293 3.0314 3.0314 3.8880 3.8880 3.8906 3.8906 5.2674 5.2674 5.2720 5.2720 5.5286 5.5286 5.5375 5.5375 6.3817 6.3817 6.3883 6.3883 6.8036 6.8036 6.8065 6.8065 7.2476 7.2476 7.2523 7.2523 11.2032 11.2032 11.2158 11.2158 11.4966 11.4966 11.5097 11.5097 11.6539 11.6539 11.6862 11.6862 13.5075 13.5075 13.5077 13.5077 13.8149 13.8149 k = 0.6159 0.1310-0.0796 ( 3378 PWs) bands (ev): -54.1682 -54.1682 -54.1679 -54.1679 -28.5884 -28.5884 -28.5845 -28.5845 -27.8035 -27.8035 -27.7991 -27.7991 -27.6936 -27.6936 -27.6933 -27.6933 -10.8763 -10.8763 -10.8753 -10.8753 -9.3962 -9.3962 -9.3948 -9.3948 -9.2647 -9.2647 -9.2620 -9.2620 1.7543 1.7543 1.7567 1.7567 2.7091 2.7091 2.7129 2.7129 2.9983 2.9983 3.0005 3.0005 3.8920 3.8920 3.8947 3.8947 5.2867 5.2867 5.2912 5.2912 5.5145 5.5145 5.5232 5.5232 6.3786 6.3786 6.3847 6.3847 6.8337 6.8337 6.8366 6.8366 7.2527 7.2527 7.2571 7.2571 11.2221 11.2221 11.2350 11.2350 11.5009 11.5009 11.5140 11.5140 11.6462 11.6462 11.6787 11.6787 13.5198 13.5198 13.5199 13.5199 13.8103 13.8103 k = 0.6087 0.1372-0.0652 ( 3376 PWs) bands (ev): -54.1682 -54.1682 -54.1679 -54.1679 -28.5883 -28.5883 -28.5846 -28.5846 -27.8033 -27.8033 -27.7991 -27.7991 -27.6937 -27.6937 -27.6933 -27.6933 -10.8867 -10.8867 -10.8858 -10.8858 -9.3827 -9.3827 -9.3814 -9.3814 -9.2638 -9.2638 -9.2612 -9.2612 1.7548 1.7548 1.7572 1.7572 2.7009 2.7009 2.7046 2.7046 2.9665 2.9665 2.9688 2.9688 3.8967 3.8967 3.8993 3.8993 5.3050 5.3050 5.3092 5.3092 5.5018 5.5018 5.5103 5.5103 6.3718 6.3718 6.3773 6.3773 6.8650 6.8650 6.8678 6.8678 7.2594 7.2594 7.2633 7.2633 11.2412 11.2412 11.2544 11.2544 11.5046 11.5046 11.5177 11.5177 11.6385 11.6385 11.6711 11.6711 13.5321 13.5321 13.5323 13.5323 13.8052 13.8052 k = 0.6015 0.1434-0.0507 ( 3378 PWs) bands (ev): -54.1683 -54.1683 -54.1679 -54.1679 -28.5881 -28.5881 -28.5847 -28.5847 -27.8031 -27.8031 -27.7991 -27.7991 -27.6937 -27.6937 -27.6933 -27.6933 -10.8967 -10.8967 -10.8959 -10.8959 -9.3697 -9.3697 -9.3685 -9.3685 -9.2629 -9.2629 -9.2605 -9.2605 1.7560 1.7560 1.7584 1.7584 2.6933 2.6933 2.6969 2.6969 2.9344 2.9344 2.9368 2.9368 3.9018 3.9018 3.9044 3.9044 5.3223 5.3223 5.3262 5.3262 5.4907 5.4907 5.4989 5.4989 6.3617 6.3617 6.3666 6.3666 6.8972 6.8972 6.8999 6.8999 7.2670 7.2670 7.2706 7.2706 11.2604 11.2604 11.2740 11.2740 11.5076 11.5076 11.5206 11.5206 11.6308 11.6308 11.6635 11.6635 13.5443 13.5443 13.5447 13.5447 13.7998 13.7998 k = 0.5942 0.1496-0.0362 ( 3382 PWs) bands (ev): -54.1683 -54.1683 -54.1679 -54.1679 -28.5880 -28.5880 -28.5847 -28.5847 -27.8029 -27.8029 -27.7992 -27.7992 -27.6937 -27.6937 -27.6934 -27.6934 -10.9062 -10.9062 -10.9054 -10.9054 -9.3574 -9.3574 -9.3562 -9.3562 -9.2621 -9.2621 -9.2599 -9.2599 1.7580 1.7580 1.7604 1.7604 2.6863 2.6863 2.6898 2.6898 2.9025 2.9025 2.9049 2.9049 3.9069 3.9069 3.9095 3.9095 5.3385 5.3385 5.3422 5.3422 5.4811 5.4811 5.4890 5.4890 6.3488 6.3488 6.3531 6.3531 6.9299 6.9299 6.9324 6.9324 7.2753 7.2753 7.2784 7.2784 11.2798 11.2798 11.2937 11.2937 11.5100 11.5100 11.5229 11.5229 11.6232 11.6232 11.6559 11.6559 13.5566 13.5566 13.5571 13.5571 13.7941 13.7941 k = 0.5870 0.1558-0.0218 ( 3388 PWs) bands (ev): -54.1683 -54.1683 -54.1679 -54.1679 -28.5878 -28.5878 -28.5848 -28.5848 -27.8027 -27.8027 -27.7992 -27.7992 -27.6937 -27.6937 -27.6934 -27.6934 -10.9151 -10.9151 -10.9143 -10.9143 -9.3457 -9.3457 -9.3446 -9.3446 -9.2614 -9.2614 -9.2593 -9.2593 1.7606 1.7606 1.7630 1.7630 2.6800 2.6800 2.6832 2.6832 2.8711 2.8711 2.8735 2.8735 3.9120 3.9120 3.9144 3.9144 5.3538 5.3538 5.3571 5.3571 5.4732 5.4732 5.4806 5.4806 6.3337 6.3337 6.3375 6.3375 6.9627 6.9627 6.9651 6.9651 7.2836 7.2836 7.2864 7.2864 11.2991 11.2991 11.3133 11.3133 11.5117 11.5117 11.5245 11.5245 11.6156 11.6156 11.6482 11.6482 13.5687 13.5687 13.5694 13.5694 13.7880 13.7880 k = 0.5797 0.1620-0.0073 ( 3386 PWs) bands (ev): -54.1683 -54.1683 -54.1679 -54.1679 -28.5877 -28.5877 -28.5849 -28.5849 -27.8025 -27.8025 -27.7993 -27.7993 -27.6938 -27.6938 -27.6934 -27.6934 -10.9233 -10.9233 -10.9226 -10.9226 -9.3347 -9.3347 -9.3336 -9.3336 -9.2608 -9.2608 -9.2589 -9.2589 1.7638 1.7638 1.7661 1.7661 2.6742 2.6742 2.6773 2.6773 2.8407 2.8407 2.8431 2.8431 3.9167 3.9167 3.9190 3.9190 5.3681 5.3681 5.3711 5.3711 5.4669 5.4669 5.4737 5.4737 6.3171 6.3171 6.3204 6.3204 6.9954 6.9954 6.9976 6.9976 7.2915 7.2915 7.2940 7.2940 11.3184 11.3184 11.3329 11.3329 11.5129 11.5129 11.5254 11.5254 11.6080 11.6080 11.6404 11.6404 13.5808 13.5808 13.5815 13.5815 13.7816 13.7816 k = 0.5725 0.1682 0.0072 ( 3392 PWs) bands (ev): -54.1683 -54.1683 -54.1679 -54.1679 -28.5875 -28.5875 -28.5850 -28.5850 -27.8023 -27.8023 -27.7993 -27.7993 -27.6938 -27.6938 -27.6934 -27.6934 -10.9310 -10.9310 -10.9303 -10.9303 -9.3245 -9.3245 -9.3234 -9.3234 -9.2602 -9.2602 -9.2585 -9.2585 1.7675 1.7675 1.7697 1.7697 2.6691 2.6691 2.6719 2.6719 2.8116 2.8116 2.8139 2.8139 3.9211 3.9211 3.9233 3.9233 5.3814 5.3814 5.3840 5.3840 5.4620 5.4620 5.4683 5.4683 6.2994 6.2994 6.3023 6.3023 7.0276 7.0276 7.0296 7.0296 7.2987 7.2987 7.3009 7.3009 11.3374 11.3374 11.3523 11.3523 11.5136 11.5136 11.5258 11.5258 11.6005 11.6005 11.6324 11.6324 13.5926 13.5926 13.5935 13.5935 13.7750 13.7750 k = 0.5652 0.1744 0.0216 ( 3392 PWs) bands (ev): -54.1683 -54.1683 -54.1679 -54.1679 -28.5874 -28.5874 -28.5850 -28.5850 -27.8021 -27.8021 -27.7994 -27.7994 -27.6938 -27.6938 -27.6934 -27.6934 -10.9380 -10.9380 -10.9374 -10.9374 -9.3150 -9.3150 -9.3140 -9.3140 -9.2598 -9.2598 -9.2582 -9.2582 1.7714 1.7714 1.7735 1.7735 2.6645 2.6645 2.6671 2.6671 2.7841 2.7841 2.7863 2.7863 3.9250 3.9250 3.9270 3.9270 5.3938 5.3938 5.3961 5.3961 5.4585 5.4585 5.4641 5.4641 6.2813 6.2813 6.2838 6.2838 7.0590 7.0590 7.0608 7.0608 7.3048 7.3048 7.3067 7.3067 11.3563 11.3563 11.3715 11.3715 11.5139 11.5139 11.5256 11.5256 11.5929 11.5929 11.6244 11.6244 13.6043 13.6043 13.6053 13.6053 13.7682 13.7682 k = 0.5580 0.1806 0.0361 ( 3392 PWs) bands (ev): -54.1683 -54.1683 -54.1679 -54.1679 -28.5872 -28.5872 -28.5851 -28.5851 -27.8019 -27.8019 -27.7995 -27.7995 -27.6938 -27.6938 -27.6935 -27.6935 -10.9443 -10.9443 -10.9438 -10.9438 -9.3063 -9.3063 -9.3054 -9.3054 -9.2594 -9.2594 -9.2581 -9.2581 1.7756 1.7756 1.7775 1.7775 2.6605 2.6605 2.6628 2.6628 2.7585 2.7585 2.7605 2.7605 3.9284 3.9284 3.9302 3.9302 5.4053 5.4053 5.4071 5.4071 5.4561 5.4561 5.4611 5.4611 6.2633 6.2633 6.2654 6.2654 7.0893 7.0893 7.0910 7.0910 7.3094 7.3094 7.3111 7.3111 11.3747 11.3747 11.3902 11.3902 11.5137 11.5137 11.5250 11.5250 11.5851 11.5851 11.6160 11.6160 13.6158 13.6158 13.6168 13.6168 13.7612 13.7615 k = 0.5507 0.1868 0.0506 ( 3384 PWs) bands (ev): -54.1683 -54.1683 -54.1679 -54.1679 -28.5871 -28.5871 -28.5852 -28.5852 -27.8017 -27.8017 -27.7996 -27.7996 -27.6938 -27.6938 -27.6935 -27.6935 -10.9499 -10.9499 -10.9495 -10.9495 -9.2984 -9.2984 -9.2976 -9.2976 -9.2592 -9.2592 -9.2581 -9.2581 1.7798 1.7798 1.7816 1.7816 2.6571 2.6571 2.6591 2.6591 2.7351 2.7351 2.7370 2.7370 3.9313 3.9313 3.9330 3.9330 5.4157 5.4157 5.4171 5.4171 5.4548 5.4548 5.4590 5.4590 6.2459 6.2459 6.2476 6.2476 7.1184 7.1184 7.1198 7.1198 7.3124 7.3124 7.3138 7.3138 11.3927 11.3927 11.4084 11.4084 11.5134 11.5134 11.5242 11.5242 11.5772 11.5772 11.6074 11.6074 13.6271 13.6271 13.6280 13.6280 13.7539 13.7539 k = 0.5435 0.1930 0.0650 ( 3386 PWs) bands (ev): -54.1683 -54.1683 -54.1679 -54.1679 -28.5869 -28.5869 -28.5853 -28.5853 -27.8015 -27.8015 -27.7996 -27.7996 -27.6939 -27.6939 -27.6935 -27.6935 -10.9548 -10.9548 -10.9544 -10.9544 -9.2914 -9.2914 -9.2906 -9.2906 -9.2591 -9.2591 -9.2582 -9.2582 1.7839 1.7839 1.7855 1.7855 2.6542 2.6542 2.6559 2.6559 2.7142 2.7142 2.7159 2.7159 3.9337 3.9337 3.9352 3.9352 5.4250 5.4250 5.4260 5.4260 5.4542 5.4542 5.4577 5.4577 6.2296 6.2296 6.2310 6.2310 7.1460 7.1460 7.1472 7.1472 7.3134 7.3134 7.3146 7.3146 11.4102 11.4102 11.4260 11.4260 11.5128 11.5128 11.5231 11.5231 11.5690 11.5690 11.5985 11.5985 13.6380 13.6380 13.6389 13.6389 13.7465 13.7469 k = 0.5362 0.1992 0.0795 ( 3382 PWs) bands (ev): -54.1683 -54.1683 -54.1679 -54.1679 -28.5868 -28.5868 -28.5854 -28.5854 -27.8013 -27.8013 -27.7997 -27.7997 -27.6939 -27.6939 -27.6935 -27.6935 -10.9590 -10.9590 -10.9586 -10.9586 -9.2852 -9.2852 -9.2845 -9.2845 -9.2593 -9.2593 -9.2585 -9.2585 1.7877 1.7877 1.7891 1.7891 2.6518 2.6518 2.6532 2.6532 2.6961 2.6961 2.6974 2.6974 3.9357 3.9357 3.9370 3.9370 5.4331 5.4331 5.4337 5.4337 5.4544 5.4544 5.4571 5.4571 6.2149 6.2149 6.2160 6.2160 7.1718 7.1718 7.1729 7.1729 7.3124 7.3124 7.3133 7.3133 11.4270 11.4270 11.4429 11.4429 11.5120 11.5120 11.5220 11.5220 11.5606 11.5606 11.5891 11.5891 13.6487 13.6487 13.6496 13.6496 13.7392 13.7400 k = 0.5290 0.2054 0.0940 ( 3382 PWs) bands (ev): -54.1683 -54.1683 -54.1679 -54.1679 -28.5867 -28.5867 -28.5855 -28.5855 -27.8011 -27.8011 -27.7999 -27.7999 -27.6939 -27.6939 -27.6935 -27.6935 -10.9624 -10.9624 -10.9621 -10.9621 -9.2798 -9.2798 -9.2792 -9.2792 -9.2596 -9.2596 -9.2591 -9.2591 1.7912 1.7912 1.7923 1.7923 2.6499 2.6499 2.6509 2.6509 2.6809 2.6809 2.6819 2.6819 3.9373 3.9373 3.9383 3.9383 5.4398 5.4398 5.4399 5.4399 5.4552 5.4552 5.4570 5.4570 6.2022 6.2022 6.2030 6.2030 7.1958 7.1958 7.1967 7.1967 7.3092 7.3092 7.3099 7.3099 11.4431 11.4431 11.4587 11.4587 11.5112 11.5112 11.5208 11.5208 11.5521 11.5521 11.5794 11.5794 13.6591 13.6591 13.6598 13.6598 13.7314 13.7318 k = 0.5217 0.2116 0.1084 ( 3384 PWs) bands (ev): -54.1683 -54.1683 -54.1679 -54.1679 -28.5865 -28.5865 -28.5856 -28.5856 -27.8009 -27.8009 -27.8000 -27.8000 -27.6939 -27.6939 -27.6935 -27.6935 -10.9651 -10.9651 -10.9649 -10.9649 -9.2752 -9.2752 -9.2747 -9.2747 -9.2602 -9.2602 -9.2599 -9.2599 1.7940 1.7940 1.7949 1.7949 2.6486 2.6486 2.6493 2.6493 2.6688 2.6688 2.6695 2.6695 3.9385 3.9385 3.9393 3.9393 5.4445 5.4445 5.4449 5.4449 5.4564 5.4564 5.4573 5.4573 6.1918 6.1918 6.1924 6.1924 7.2176 7.2176 7.2183 7.2183 7.3038 7.3038 7.3043 7.3043 11.4584 11.4584 11.4732 11.4732 11.5102 11.5102 11.5193 11.5193 11.5439 11.5439 11.5693 11.5693 13.6691 13.6691 13.6698 13.6698 13.7231 13.7234 k = 0.5145 0.2178 0.1229 ( 3384 PWs) bands (ev): -54.1683 -54.1683 -54.1679 -54.1679 -28.5864 -28.5864 -28.5858 -28.5858 -27.8008 -27.8008 -27.8001 -27.8001 -27.6939 -27.6939 -27.6935 -27.6935 -10.9670 -10.9670 -10.9668 -10.9668 -9.2715 -9.2715 -9.2711 -9.2711 -9.2611 -9.2611 -9.2609 -9.2609 1.7962 1.7962 1.7968 1.7968 2.6478 2.6478 2.6482 2.6482 2.6599 2.6599 2.6603 2.6603 3.9394 3.9394 3.9399 3.9399 5.4475 5.4475 5.4481 5.4481 5.4578 5.4578 5.4582 5.4582 6.1842 6.1842 6.1845 6.1845 7.2372 7.2372 7.2377 7.2377 7.2962 7.2962 7.2965 7.2965 11.4728 11.4728 11.4857 11.4857 11.5090 11.5090 11.5164 11.5164 11.5379 11.5379 11.5592 11.5592 13.6789 13.6790 13.6794 13.6794 13.7150 13.7153 k = 0.5072 0.2240 0.1373 ( 3390 PWs) bands (ev): -54.1683 -54.1683 -54.1679 -54.1679 -28.5863 -28.5863 -28.5858 -28.5858 -27.8007 -27.8007 -27.8002 -27.8002 -27.6939 -27.6939 -27.6935 -27.6935 -10.9681 -10.9681 -10.9680 -10.9680 -9.2686 -9.2686 -9.2684 -9.2684 -9.2622 -9.2622 -9.2621 -9.2621 1.7976 1.7976 1.7980 1.7980 2.6476 2.6476 2.6477 2.6477 2.6544 2.6544 2.6545 2.6545 3.9400 3.9400 3.9402 3.9402 5.4492 5.4492 5.4496 5.4496 5.4590 5.4590 5.4591 5.4591 6.1795 6.1795 6.1797 6.1797 7.2538 7.2538 7.2541 7.2541 7.2868 7.2868 7.2869 7.2869 11.4859 11.4859 11.4949 11.4949 11.5073 11.5073 11.5104 11.5104 11.5368 11.5368 11.5495 11.5495 13.6884 13.6886 13.6889 13.6901 13.7065 13.7066 k = 0.5000 0.2302 0.1518 ( 3392 PWs) bands (ev): -54.1683 -54.1683 -54.1679 -54.1679 -28.5863 -28.5863 -28.5859 -28.5859 -27.8006 -27.8006 -27.8002 -27.8002 -27.6939 -27.6939 -27.6935 -27.6935 -10.9684 -10.9684 -10.9684 -10.9684 -9.2673 -9.2673 -9.2673 -9.2673 -9.2628 -9.2628 -9.2628 -9.2628 1.7982 1.7982 1.7982 1.7982 2.6477 2.6477 2.6477 2.6477 2.6523 2.6523 2.6524 2.6524 3.9402 3.9402 3.9402 3.9402 5.4499 5.4499 5.4499 5.4499 5.4594 5.4594 5.4595 5.4595 6.1780 6.1780 6.1780 6.1780 7.2632 7.2632 7.2632 7.2632 7.2801 7.2801 7.2801 7.2801 11.4960 11.4960 11.4963 11.4963 11.5055 11.5055 11.5057 11.5057 11.5412 11.5412 11.5415 11.5415 13.6972 13.6974 13.6975 13.6976 13.6980 13.6981 k = 0.5000 0.2302 0.1518 ( 3392 PWs) bands (ev): -54.1683 -54.1683 -54.1679 -54.1679 -28.5863 -28.5863 -28.5859 -28.5859 -27.8006 -27.8006 -27.8002 -27.8002 -27.6939 -27.6939 -27.6935 -27.6935 -10.9684 -10.9684 -10.9684 -10.9684 -9.2673 -9.2673 -9.2673 -9.2673 -9.2628 -9.2628 -9.2628 -9.2628 1.7982 1.7982 1.7982 1.7982 2.6477 2.6477 2.6477 2.6477 2.6523 2.6523 2.6524 2.6524 3.9402 3.9402 3.9402 3.9402 5.4499 5.4499 5.4499 5.4499 5.4594 5.4594 5.4595 5.4595 6.1780 6.1780 6.1780 6.1780 7.2632 7.2632 7.2632 7.2632 7.2801 7.2801 7.2801 7.2801 11.4960 11.4960 11.4963 11.4963 11.5055 11.5055 11.5057 11.5058 11.5412 11.5412 11.5415 11.5415 13.6972 13.6973 13.6976 13.6978 13.6979 13.6980 k = 0.4848 0.2233 0.1472 ( 3386 PWs) bands (ev): -54.1683 -54.1683 -54.1679 -54.1679 -28.5870 -28.5870 -28.5852 -28.5852 -27.8015 -27.8015 -27.7993 -27.7993 -27.6945 -27.6945 -27.6929 -27.6929 -10.9953 -10.9953 -10.9414 -10.9414 -9.2784 -9.2784 -9.2741 -9.2741 -9.2562 -9.2562 -9.2515 -9.2515 1.7869 1.7869 1.8102 1.8102 2.6356 2.6356 2.6406 2.6406 2.6596 2.6596 2.6639 2.6639 3.8470 3.8470 4.0338 4.0338 5.4115 5.4115 5.4207 5.4207 5.4889 5.4889 5.4989 5.4989 6.1547 6.1547 6.2013 6.2013 7.2388 7.2388 7.2558 7.2558 7.2877 7.2877 7.3045 7.3045 11.4826 11.4826 11.4945 11.4945 11.5015 11.5015 11.5158 11.5158 11.5416 11.5416 11.5486 11.5486 13.6681 13.6681 13.6694 13.6694 13.7273 13.7274 k = 0.4697 0.2163 0.1426 ( 3386 PWs) bands (ev): -54.1684 -54.1684 -54.1678 -54.1678 -28.5878 -28.5878 -28.5843 -28.5843 -27.8025 -27.8025 -27.7983 -27.7983 -27.6953 -27.6953 -27.6922 -27.6922 -11.0220 -11.0220 -10.9143 -10.9143 -9.2894 -9.2894 -9.2854 -9.2854 -9.2450 -9.2450 -9.2401 -9.2401 1.7761 1.7761 1.8228 1.8228 2.6234 2.6234 2.6287 2.6287 2.6713 2.6713 2.6752 2.6752 3.7544 3.7544 4.1274 4.1274 5.3739 5.3739 5.3827 5.3827 5.5286 5.5286 5.5389 5.5389 6.1312 6.1312 6.2246 6.2246 7.2145 7.2145 7.2316 7.2316 7.3123 7.3123 7.3290 7.3290 11.4660 11.4660 11.4825 11.4825 11.4962 11.4962 11.5250 11.5250 11.5499 11.5499 11.5598 11.5598 13.6398 13.6398 13.6415 13.6415 13.7577 13.7578 k = 0.4545 0.2093 0.1380 ( 3392 PWs) bands (ev): -54.1685 -54.1685 -54.1677 -54.1677 -28.5887 -28.5887 -28.5834 -28.5834 -27.8036 -27.8036 -27.7972 -27.7972 -27.6960 -27.6960 -27.6914 -27.6914 -11.0484 -11.0484 -10.8871 -10.8871 -9.3004 -9.3004 -9.2965 -9.2965 -9.2339 -9.2339 -9.2288 -9.2288 1.7660 1.7660 1.8359 1.8359 2.6110 2.6110 2.6166 2.6166 2.6828 2.6828 2.6863 2.6863 3.6626 3.6626 4.2208 4.2208 5.3371 5.3371 5.3455 5.3455 5.5688 5.5688 5.5795 5.5795 6.1077 6.1077 6.2479 6.2479 7.1904 7.1904 7.2076 7.2076 7.3370 7.3370 7.3535 7.3535 11.4486 11.4486 11.4698 11.4698 11.4856 11.4856 11.5333 11.5333 11.5594 11.5594 11.5745 11.5745 13.6124 13.6124 13.6146 13.6147 13.7888 13.7891 k = 0.4394 0.2023 0.1334 ( 3383 PWs) bands (ev): -54.1686 -54.1686 -54.1676 -54.1676 -28.5895 -28.5895 -28.5826 -28.5826 -27.8046 -27.8046 -27.7962 -27.7962 -27.6968 -27.6968 -27.6907 -27.6907 -11.0745 -11.0745 -10.8599 -10.8599 -9.3112 -9.3112 -9.3076 -9.3076 -9.2229 -9.2229 -9.2176 -9.2176 1.7566 1.7566 1.8495 1.8495 2.5984 2.5984 2.6044 2.6044 2.6940 2.6940 2.6972 2.6972 3.5718 3.5718 4.3138 4.3138 5.3011 5.3011 5.3092 5.3092 5.6093 5.6093 5.6204 5.6204 6.0841 6.0841 6.2714 6.2714 7.1666 7.1666 7.1839 7.1839 7.3617 7.3617 7.3781 7.3781 11.4308 11.4308 11.4563 11.4563 11.4727 11.4727 11.5406 11.5406 11.5677 11.5677 11.5917 11.5917 13.5860 13.5860 13.5888 13.5888 13.8196 13.8198 k = 0.4242 0.1954 0.1288 ( 3383 PWs) bands (ev): -54.1687 -54.1687 -54.1675 -54.1675 -28.5904 -28.5904 -28.5817 -28.5817 -27.8057 -27.8057 -27.7951 -27.7951 -27.6975 -27.6975 -27.6899 -27.6899 -11.1002 -11.1002 -10.8329 -10.8329 -9.3220 -9.3220 -9.3185 -9.3185 -9.2119 -9.2119 -9.2064 -9.2064 1.7479 1.7479 1.8635 1.8635 2.5858 2.5858 2.5922 2.5922 2.7050 2.7050 2.7078 2.7078 3.4822 3.4822 4.4060 4.4060 5.2661 5.2661 5.2738 5.2738 5.6503 5.6503 5.6618 5.6618 6.0604 6.0604 6.2951 6.2951 7.1430 7.1430 7.1604 7.1604 7.3863 7.3863 7.4026 7.4026 11.4129 11.4129 11.4420 11.4420 11.4585 11.4585 11.5469 11.5469 11.5748 11.5748 11.6098 11.6098 13.5607 13.5607 13.5640 13.5640 13.8514 13.8515 k = 0.4091 0.1884 0.1242 ( 3395 PWs) bands (ev): -54.1688 -54.1688 -54.1673 -54.1673 -28.5912 -28.5912 -28.5809 -28.5809 -27.8067 -27.8067 -27.7941 -27.7941 -27.6983 -27.6983 -27.6892 -27.6892 -11.1255 -11.1255 -10.8059 -10.8059 -9.3326 -9.3326 -9.3293 -9.3293 -9.2010 -9.2010 -9.1953 -9.1953 1.7398 1.7398 1.8780 1.8780 2.5732 2.5732 2.5798 2.5798 2.7157 2.7157 2.7181 2.7181 3.3940 3.3940 4.4970 4.4970 5.2321 5.2321 5.2395 5.2395 5.6914 5.6914 5.7033 5.7033 6.0366 6.0366 6.3192 6.3192 7.1197 7.1197 7.1372 7.1372 7.4108 7.4108 7.4270 7.4270 11.3950 11.3950 11.4271 11.4271 11.4434 11.4434 11.5522 11.5522 11.5808 11.5808 11.6283 11.6283 13.5364 13.5364 13.5403 13.5403 13.8843 13.8853 k = 0.3939 0.1814 0.1196 ( 3404 PWs) bands (ev): -54.1689 -54.1689 -54.1672 -54.1672 -28.5921 -28.5921 -28.5800 -28.5800 -27.8077 -27.8077 -27.7931 -27.7931 -27.6990 -27.6990 -27.6885 -27.6885 -11.1503 -11.1503 -10.7793 -10.7793 -9.3430 -9.3430 -9.3399 -9.3399 -9.1903 -9.1903 -9.1843 -9.1843 1.7325 1.7325 1.8928 1.8928 2.5605 2.5605 2.5674 2.5674 2.7261 2.7261 2.7281 2.7281 3.3074 3.3074 4.5866 4.5866 5.1991 5.1991 5.2061 5.2061 5.7328 5.7328 5.7450 5.7450 6.0128 6.0128 6.3439 6.3439 7.0967 7.0967 7.1143 7.1143 7.4352 7.4352 7.4512 7.4512 11.3773 11.3773 11.4117 11.4117 11.4276 11.4276 11.5564 11.5564 11.5858 11.5858 11.6470 11.6470 13.5134 13.5134 13.5177 13.5177 13.9157 13.9162 k = 0.3788 0.1744 0.1150 ( 3404 PWs) bands (ev): -54.1691 -54.1691 -54.1671 -54.1671 -28.5929 -28.5929 -28.5792 -28.5792 -27.8087 -27.8087 -27.7920 -27.7920 -27.6997 -27.6997 -27.6877 -27.6877 -11.1746 -11.1746 -10.7529 -10.7529 -9.3532 -9.3532 -9.3504 -9.3504 -9.1797 -9.1797 -9.1735 -9.1735 1.7260 1.7260 1.9080 1.9080 2.5478 2.5478 2.5550 2.5550 2.7363 2.7363 2.7378 2.7378 3.2224 3.2224 4.6742 4.6742 5.1673 5.1673 5.1739 5.1739 5.7741 5.7741 5.7867 5.7867 5.9891 5.9891 6.3693 6.3693 7.0741 7.0741 7.0917 7.0917 7.4595 7.4595 7.4753 7.4753 11.3598 11.3598 11.3957 11.3957 11.4113 11.4113 11.5597 11.5597 11.5898 11.5898 11.6657 11.6657 13.4915 13.4915 13.4963 13.4963 13.9474 13.9475 k = 0.3636 0.1674 0.1104 ( 3404 PWs) bands (ev): -54.1692 -54.1692 -54.1670 -54.1670 -28.5937 -28.5937 -28.5784 -28.5784 -27.8096 -27.8096 -27.7911 -27.7911 -27.7004 -27.7004 -27.6870 -27.6870 -11.1983 -11.1983 -10.7268 -10.7268 -9.3632 -9.3632 -9.3606 -9.3606 -9.1692 -9.1692 -9.1629 -9.1629 1.7201 1.7201 1.9234 1.9234 2.5351 2.5351 2.5426 2.5426 2.7461 2.7461 2.7473 2.7473 3.1393 3.1393 4.7596 4.7596 5.1365 5.1365 5.1428 5.1428 5.8154 5.8154 5.8284 5.8284 5.9654 5.9654 6.3956 6.3956 7.0518 7.0518 7.0696 7.0696 7.4835 7.4835 7.4992 7.4992 11.3424 11.3424 11.3793 11.3793 11.3945 11.3945 11.5620 11.5620 11.5928 11.5928 11.6844 11.6844 13.4709 13.4709 13.4762 13.4762 13.9800 13.9815 k = 0.3485 0.1605 0.1058 ( 3404 PWs) bands (ev): -54.1693 -54.1693 -54.1669 -54.1669 -28.5945 -28.5945 -28.5776 -28.5776 -27.8106 -27.8106 -27.7901 -27.7901 -27.7011 -27.7011 -27.6863 -27.6863 -11.2214 -11.2214 -10.7011 -10.7011 -9.3730 -9.3730 -9.3705 -9.3705 -9.1590 -9.1590 -9.1524 -9.1524 1.7150 1.7150 1.9390 1.9390 2.5225 2.5225 2.5303 2.5303 2.7556 2.7556 2.7564 2.7564 3.0582 3.0582 4.8423 4.8423 5.1069 5.1069 5.1128 5.1128 5.8566 5.8566 5.8700 5.8700 5.9418 5.9418 6.4230 6.4230 7.0299 7.0299 7.0477 7.0477 7.5072 7.5072 7.5228 7.5228 11.3253 11.3253 11.3625 11.3625 11.3774 11.3774 11.5633 11.5633 11.5949 11.5949 11.7029 11.7029 13.4515 13.4515 13.4573 13.4573 14.0119 14.0127 k = 0.3333 0.1535 0.1012 ( 3407 PWs) bands (ev): -54.1694 -54.1694 -54.1668 -54.1668 -28.5952 -28.5952 -28.5768 -28.5768 -27.8115 -27.8115 -27.7891 -27.7891 -27.7018 -27.7018 -27.6857 -27.6857 -11.2438 -11.2438 -10.6760 -10.6760 -9.3825 -9.3825 -9.3802 -9.3802 -9.1490 -9.1490 -9.1422 -9.1422 1.7107 1.7107 1.9547 1.9547 2.5101 2.5101 2.5181 2.5181 2.7647 2.7647 2.7651 2.7651 2.9791 2.9791 4.9219 4.9219 5.0785 5.0785 5.0840 5.0840 5.8974 5.8974 5.9112 5.9112 5.9185 5.9185 6.4518 6.4518 7.0084 7.0084 7.0263 7.0263 7.5307 7.5307 7.5460 7.5460 11.3083 11.3083 11.3455 11.3455 11.3599 11.3599 11.5638 11.5638 11.5961 11.5961 11.7211 11.7211 13.4333 13.4333 13.4395 13.4395 14.0432 14.0447 k = 0.3182 0.1465 0.0966 ( 3392 PWs) bands (ev): -54.1695 -54.1695 -54.1667 -54.1667 -28.5960 -28.5960 -28.5761 -28.5761 -27.8124 -27.8124 -27.7882 -27.7882 -27.7024 -27.7024 -27.6850 -27.6850 -11.2656 -11.2656 -10.6513 -10.6513 -9.3917 -9.3917 -9.3896 -9.3896 -9.1392 -9.1392 -9.1323 -9.1323 1.7071 1.7071 1.9705 1.9705 2.4978 2.4978 2.5061 2.5061 2.7735 2.7735 2.7736 2.7736 2.9024 2.9024 4.9979 4.9979 5.0512 5.0512 5.0565 5.0565 5.8953 5.8953 5.9381 5.9381 5.9522 5.9522 6.4820 6.4820 6.9873 6.9873 7.0053 7.0053 7.5537 7.5537 7.5690 7.5690 11.2916 11.2916 11.3283 11.3283 11.3423 11.3423 11.5634 11.5634 11.5964 11.5964 11.7391 11.7391 13.4164 13.4164 13.4231 13.4231 14.0747 14.0788 k = 0.3030 0.1395 0.0920 ( 3392 PWs) bands (ev): -54.1696 -54.1696 -54.1666 -54.1666 -28.5967 -28.5967 -28.5753 -28.5753 -27.8132 -27.8132 -27.7873 -27.7873 -27.7030 -27.7030 -27.6844 -27.6844 -11.2865 -11.2865 -10.6273 -10.6273 -9.4006 -9.4006 -9.3987 -9.3987 -9.1297 -9.1297 -9.1226 -9.1226 1.7043 1.7043 1.9863 1.9863 2.4857 2.4857 2.4942 2.4942 2.7815 2.7815 2.7821 2.7821 2.8281 2.8281 5.0252 5.0252 5.0302 5.0302 5.0701 5.0701 5.8726 5.8726 5.9782 5.9782 5.9926 5.9926 6.5140 6.5140 6.9666 6.9666 6.9847 6.9847 7.5764 7.5764 7.5915 7.5915 11.2751 11.2751 11.3109 11.3109 11.3247 11.3247 11.5622 11.5622 11.5959 11.5959 11.7567 11.7567 13.4007 13.4007 13.4078 13.4078 14.1056 14.1063 k = 0.2879 0.1326 0.0874 ( 3392 PWs) bands (ev): -54.1697 -54.1697 -54.1665 -54.1665 -28.5974 -28.5974 -28.5746 -28.5746 -27.8141 -27.8141 -27.7864 -27.7864 -27.7036 -27.7036 -27.6838 -27.6838 -11.3067 -11.3067 -10.6040 -10.6040 -9.4093 -9.4093 -9.4075 -9.4075 -9.1205 -9.1205 -9.1132 -9.1132 1.7022 1.7022 2.0020 2.0020 2.4738 2.4738 2.4825 2.4825 2.7554 2.7554 2.7899 2.7899 2.7902 2.7902 5.0004 5.0004 5.0051 5.0051 5.1379 5.1379 5.8503 5.8503 6.0177 6.0177 6.0325 6.0325 6.5477 6.5477 6.9462 6.9462 6.9644 6.9644 7.5986 7.5986 7.6135 7.6135 11.2589 11.2589 11.2936 11.2936 11.3070 11.3070 11.5603 11.5603 11.5947 11.5947 11.7739 11.7739 13.3862 13.3862 13.3937 13.3937 14.1356 14.1388 k = 0.2727 0.1256 0.0828 ( 3398 PWs) bands (ev): -54.1698 -54.1698 -54.1664 -54.1664 -28.5981 -28.5981 -28.5740 -28.5740 -27.8149 -27.8149 -27.7856 -27.7856 -27.7042 -27.7042 -27.6832 -27.6832 -11.3261 -11.3261 -10.5814 -10.5814 -9.4175 -9.4175 -9.4160 -9.4160 -9.1117 -9.1117 -9.1042 -9.1042 1.7009 1.7009 2.0175 2.0175 2.4622 2.4622 2.4711 2.4711 2.6862 2.6862 2.7971 2.7971 2.7980 2.7980 4.9769 4.9769 4.9812 4.9812 5.2011 5.2011 5.8285 5.8285 6.0566 6.0566 6.0718 6.0718 6.5834 6.5834 6.9263 6.9263 6.9446 6.9446 7.6203 7.6203 7.6350 7.6350 11.2429 11.2429 11.2763 11.2763 11.2894 11.2894 11.5577 11.5577 11.5927 11.5927 11.7907 11.7907 13.3729 13.3729 13.3807 13.3807 14.1647 14.1683 k = 0.2576 0.1186 0.0782 ( 3395 PWs) bands (ev): -54.1699 -54.1699 -54.1663 -54.1663 -28.5987 -28.5987 -28.5733 -28.5733 -27.8156 -27.8156 -27.7848 -27.7848 -27.7048 -27.7048 -27.6826 -27.6826 -11.3446 -11.3446 -10.5595 -10.5595 -9.4255 -9.4255 -9.4241 -9.4241 -9.1031 -9.1031 -9.0955 -9.0955 1.7004 1.7004 2.0328 2.0328 2.4509 2.4509 2.4601 2.4601 2.6194 2.6194 2.8041 2.8041 2.8054 2.8054 4.9547 4.9547 4.9587 4.9587 5.2595 5.2595 5.8073 5.8073 6.0948 6.0948 6.1103 6.1103 6.6208 6.6208 6.9068 6.9068 6.9252 6.9252 7.6414 7.6414 7.6559 7.6559 11.2272 11.2272 11.2591 11.2591 11.2720 11.2720 11.5546 11.5546 11.5902 11.5902 11.8069 11.8069 13.3607 13.3607 13.3689 13.3689 14.1937 14.1946 k = 0.2424 0.1116 0.0736 ( 3401 PWs) bands (ev): -54.1699 -54.1699 -54.1662 -54.1662 -28.5993 -28.5993 -28.5727 -28.5727 -27.8164 -27.8164 -27.7840 -27.7840 -27.7053 -27.7053 -27.6820 -27.6820 -11.3623 -11.3623 -10.5386 -10.5386 -9.4331 -9.4331 -9.4318 -9.4318 -9.0950 -9.0950 -9.0872 -9.0872 1.7006 1.7006 2.0478 2.0478 2.4400 2.4400 2.4493 2.4493 2.5553 2.5553 2.8108 2.8108 2.8124 2.8124 4.9337 4.9337 4.9374 4.9374 5.3129 5.3129 5.7867 5.7867 6.1321 6.1321 6.1480 6.1480 6.6601 6.6601 6.8876 6.8876 6.9061 6.9061 7.6618 7.6618 7.6761 7.6761 11.2118 11.2118 11.2422 11.2422 11.2548 11.2548 11.5510 11.5510 11.5872 11.5872 11.8225 11.8225 13.3496 13.3496 13.3581 13.3581 14.2211 14.2224 k = 0.2273 0.1047 0.0690 ( 3401 PWs) bands (ev): -54.1700 -54.1700 -54.1662 -54.1662 -28.5999 -28.5999 -28.5721 -28.5721 -27.8171 -27.8171 -27.7833 -27.7833 -27.7058 -27.7058 -27.6815 -27.6815 -11.3790 -11.3790 -10.5186 -10.5186 -9.4403 -9.4403 -9.4391 -9.4391 -9.0872 -9.0872 -9.0793 -9.0793 1.7016 1.7016 2.0625 2.0625 2.4295 2.4295 2.4390 2.4390 2.4939 2.4939 2.8171 2.8171 2.8190 2.8190 4.9140 4.9140 4.9174 4.9174 5.3613 5.3613 5.7669 5.7669 6.1686 6.1686 6.1847 6.1847 6.7008 6.7008 6.8688 6.8688 6.8874 6.8874 7.6815 7.6815 7.6957 7.6957 11.1968 11.1968 11.2257 11.2257 11.2380 11.2380 11.5471 11.5471 11.5837 11.5837 11.8375 11.8375 13.3396 13.3396 13.3483 13.3483 14.2478 14.2503 k = 0.2121 0.0977 0.0644 ( 3413 PWs) bands (ev): -54.1701 -54.1701 -54.1661 -54.1661 -28.6004 -28.6004 -28.5715 -28.5715 -27.8177 -27.8177 -27.7826 -27.7826 -27.7063 -27.7063 -27.6810 -27.6810 -11.3948 -11.3948 -10.4996 -10.4996 -9.4471 -9.4471 -9.4461 -9.4461 -9.0798 -9.0798 -9.0717 -9.0717 1.7034 1.7034 2.0766 2.0766 2.4195 2.4195 2.4288 2.4288 2.4356 2.4356 2.8230 2.8230 2.8253 2.8253 4.8956 4.8956 4.8987 4.8987 5.4048 5.4048 5.7479 5.7479 6.2041 6.2041 6.2206 6.2206 6.7427 6.7427 6.8503 6.8503 6.8690 6.8690 7.7005 7.7005 7.7144 7.7144 11.1821 11.1821 11.2096 11.2096 11.2218 11.2218 11.5428 11.5428 11.5799 11.5799 11.8519 11.8519 13.3305 13.3305 13.3395 13.3395 14.2726 14.2773 k = 0.1970 0.0907 0.0598 ( 3413 PWs) bands (ev): -54.1702 -54.1702 -54.1660 -54.1660 -28.6010 -28.6010 -28.5710 -28.5710 -27.8183 -27.8183 -27.7819 -27.7819 -27.7068 -27.7068 -27.6806 -27.6806 -11.4096 -11.4096 -10.4816 -10.4816 -9.4534 -9.4534 -9.4526 -9.4526 -9.0728 -9.0728 -9.0646 -9.0646 1.7060 1.7060 2.0902 2.0902 2.3796 2.3796 2.4099 2.4099 2.4197 2.4197 2.8286 2.8286 2.8311 2.8311 4.8784 4.8784 4.8813 4.8813 5.4434 5.4434 5.7299 5.7299 6.2386 6.2386 6.2554 6.2554 6.7854 6.7854 6.8321 6.8321 6.8508 6.8508 7.7185 7.7185 7.7324 7.7324 11.1680 11.1680 11.1940 11.1940 11.2060 11.2060 11.5383 11.5383 11.5759 11.5759 11.8655 11.8655 13.3223 13.3223 13.3316 13.3316 14.2965 14.2981 k = 0.1818 0.0837 0.0552 ( 3410 PWs) bands (ev): -54.1703 -54.1703 -54.1659 -54.1659 -28.6014 -28.6014 -28.5705 -28.5705 -27.8189 -27.8189 -27.7813 -27.7813 -27.7072 -27.7072 -27.6801 -27.6801 -11.4234 -11.4234 -10.4647 -10.4647 -9.4594 -9.4594 -9.4587 -9.4587 -9.0663 -9.0663 -9.0580 -9.0580 1.7094 1.7094 2.1032 2.1032 2.3268 2.3268 2.4009 2.4009 2.4108 2.4108 2.8338 2.8338 2.8366 2.8366 4.8626 4.8626 4.8652 4.8652 5.4775 5.4775 5.7128 5.7128 6.2721 6.2721 6.2891 6.2891 6.8137 6.8137 6.8287 6.8287 6.8330 6.8330 7.7357 7.7357 7.7494 7.7494 11.1543 11.1543 11.1791 11.1791 11.1910 11.1910 11.5337 11.5337 11.5717 11.5717 11.8783 11.8783 13.3151 13.3151 13.3245 13.3245 14.3192 14.3192 k = 0.1667 0.0767 0.0506 ( 3422 PWs) bands (ev): -54.1703 -54.1703 -54.1659 -54.1659 -28.6019 -28.6019 -28.5700 -28.5700 -27.8194 -27.8194 -27.7807 -27.7807 -27.7076 -27.7076 -27.6797 -27.6797 -11.4362 -11.4362 -10.4489 -10.4489 -9.4650 -9.4650 -9.4643 -9.4643 -9.0602 -9.0602 -9.0518 -9.0518 1.7135 1.7135 2.1155 2.1155 2.2771 2.2771 2.3924 2.3924 2.4024 2.4024 2.8386 2.8386 2.8417 2.8417 4.8480 4.8480 4.8504 4.8504 5.5072 5.5072 5.6968 5.6968 6.3045 6.3045 6.3216 6.3216 6.7961 6.7961 6.8153 6.8153 6.8711 6.8711 7.7519 7.7519 7.7654 7.7654 11.1411 11.1411 11.1650 11.1650 11.1767 11.1767 11.5291 11.5291 11.5674 11.5674 11.8902 11.8902 13.3087 13.3087 13.3183 13.3183 14.3407 14.3432 k = 0.1515 0.0698 0.0460 ( 3422 PWs) bands (ev): -54.1704 -54.1704 -54.1658 -54.1658 -28.6023 -28.6023 -28.5696 -28.5696 -27.8199 -27.8199 -27.7802 -27.7802 -27.7080 -27.7080 -27.6794 -27.6794 -11.4479 -11.4479 -10.4344 -10.4344 -9.4700 -9.4700 -9.4695 -9.4695 -9.0547 -9.0547 -9.0461 -9.0461 1.7185 1.7185 2.1270 2.1270 2.2303 2.2303 2.3845 2.3845 2.3947 2.3947 2.8430 2.8430 2.8463 2.8463 4.8347 4.8347 4.8369 4.8369 5.5329 5.5329 5.6819 5.6819 6.3357 6.3357 6.3531 6.3531 6.7785 6.7785 6.7978 6.7978 6.9128 6.9128 7.7670 7.7670 7.7803 7.7803 11.1287 11.1287 11.1517 11.1517 11.1633 11.1633 11.5246 11.5246 11.5632 11.5632 11.9013 11.9013 13.3030 13.3030 13.3128 13.3128 14.3600 14.3611 k = 0.1364 0.0628 0.0414 ( 3419 PWs) bands (ev): -54.1705 -54.1705 -54.1657 -54.1657 -28.6027 -28.6027 -28.5692 -28.5692 -27.8204 -27.8204 -27.7797 -27.7797 -27.7083 -27.7083 -27.6790 -27.6790 -11.4586 -11.4586 -10.4211 -10.4211 -9.4747 -9.4747 -9.4742 -9.4742 -9.0495 -9.0495 -9.0409 -9.0409 1.7243 1.7243 2.1376 2.1376 2.1866 2.1866 2.3773 2.3773 2.3875 2.3875 2.8469 2.8469 2.8505 2.8505 4.8226 4.8226 4.8247 4.8247 5.5550 5.5550 5.6683 5.6683 6.3658 6.3658 6.3833 6.3833 6.7609 6.7609 6.7803 6.7803 6.9529 6.9529 7.7809 7.7809 7.7941 7.7941 11.1171 11.1171 11.1393 11.1393 11.1508 11.1508 11.5202 11.5202 11.5591 11.5591 11.9115 11.9115 13.2981 13.2981 13.3080 13.3080 14.3784 14.3837 k = 0.1212 0.0558 0.0368 ( 3425 PWs) bands (ev): -54.1705 -54.1705 -54.1657 -54.1657 -28.6030 -28.6030 -28.5689 -28.5689 -27.8208 -27.8208 -27.7793 -27.7793 -27.7086 -27.7086 -27.6787 -27.6787 -11.4682 -11.4682 -10.4090 -10.4090 -9.4789 -9.4789 -9.4785 -9.4785 -9.0449 -9.0449 -9.0362 -9.0362 1.7308 1.7308 2.1461 2.1461 2.1474 2.1474 2.3707 2.3707 2.3811 2.3811 2.8505 2.8505 2.8543 2.8543 4.8119 4.8119 4.8137 4.8137 5.5737 5.5737 5.6558 5.6558 6.3947 6.3947 6.4124 6.4124 6.7434 6.7434 6.7630 6.7630 6.9908 6.9908 7.7936 7.7936 7.8067 7.8067 11.1062 11.1062 11.1279 11.1279 11.1393 11.1393 11.5160 11.5160 11.5552 11.5552 11.9207 11.9207 13.2938 13.2938 13.3039 13.3039 14.3944 14.3948 k = 0.1061 0.0488 0.0322 ( 3410 PWs) bands (ev): -54.1705 -54.1705 -54.1657 -54.1657 -28.6033 -28.6033 -28.5686 -28.5686 -27.8212 -27.8212 -27.7789 -27.7789 -27.7088 -27.7088 -27.6784 -27.6784 -11.4768 -11.4768 -10.3983 -10.3983 -9.4826 -9.4826 -9.4822 -9.4822 -9.0408 -9.0408 -9.0320 -9.0320 1.7380 1.7380 2.1088 2.1088 2.1561 2.1561 2.3649 2.3649 2.3753 2.3753 2.8537 2.8537 2.8577 2.8577 4.8024 4.8024 4.8041 4.8041 5.5894 5.5894 5.6448 5.6448 6.4225 6.4225 6.4402 6.4402 6.7258 6.7258 6.7456 6.7456 7.0259 7.0259 7.8050 7.8050 7.8180 7.8180 11.0964 11.0964 11.1176 11.1176 11.1290 11.1290 11.5122 11.5122 11.5516 11.5516 11.9289 11.9289 13.2902 13.2902 13.3003 13.3003 14.4089 14.4089 k = 0.0909 0.0419 0.0276 ( 3410 PWs) bands (ev): -54.1706 -54.1706 -54.1656 -54.1656 -28.6036 -28.6036 -28.5683 -28.5683 -27.8215 -27.8215 -27.7786 -27.7786 -27.7091 -27.7091 -27.6782 -27.6782 -11.4842 -11.4842 -10.3890 -10.3890 -9.4858 -9.4858 -9.4855 -9.4855 -9.0373 -9.0373 -9.0284 -9.0284 1.7458 1.7458 2.0749 2.0749 2.1638 2.1638 2.3597 2.3597 2.3702 2.3702 2.8565 2.8565 2.8606 2.8606 4.7942 4.7942 4.7957 4.7957 5.6024 5.6024 5.6350 5.6350 6.4491 6.4491 6.4668 6.4668 6.7081 6.7081 6.7282 6.7282 7.0576 7.0576 7.8151 7.8151 7.8279 7.8279 11.0875 11.0875 11.1086 11.1086 11.1199 11.1199 11.5087 11.5087 11.5483 11.5483 11.9361 11.9361 13.2871 13.2871 13.2974 13.2974 14.4217 14.4222 k = 0.0758 0.0349 0.0230 ( 3417 PWs) bands (ev): -54.1706 -54.1706 -54.1656 -54.1656 -28.6038 -28.6038 -28.5681 -28.5681 -27.8217 -27.8217 -27.7783 -27.7783 -27.7093 -27.7093 -27.6780 -27.6780 -11.4904 -11.4904 -10.3810 -10.3810 -9.4885 -9.4885 -9.4883 -9.4883 -9.0342 -9.0342 -9.0253 -9.0253 1.7540 1.7540 2.0445 2.0445 2.1704 2.1704 2.3553 2.3553 2.3659 2.3659 2.8588 2.8588 2.8631 2.8631 4.7872 4.7872 4.7887 4.7887 5.6130 5.6130 5.6267 5.6267 6.4745 6.4745 6.4921 6.4921 6.6904 6.6904 6.7107 6.7107 7.0854 7.0854 7.8237 7.8237 7.8364 7.8364 11.0799 11.0799 11.1007 11.1007 11.1120 11.1120 11.5056 11.5056 11.5453 11.5453 11.9422 11.9422 13.2846 13.2846 13.2949 13.2949 14.4327 14.4359 k = 0.0606 0.0279 0.0184 ( 3417 PWs) bands (ev): -54.1706 -54.1706 -54.1656 -54.1656 -28.6040 -28.6040 -28.5679 -28.5679 -27.8219 -27.8219 -27.7780 -27.7780 -27.7094 -27.7094 -27.6778 -27.6778 -11.4956 -11.4956 -10.3744 -10.3744 -9.4908 -9.4908 -9.4906 -9.4906 -9.0317 -9.0317 -9.0228 -9.0228 1.7623 1.7623 2.0180 2.0180 2.1759 2.1759 2.3517 2.3517 2.3623 2.3623 2.8608 2.8608 2.8651 2.8651 4.7815 4.7815 4.7829 4.7829 5.6198 5.6198 5.6213 5.6213 6.4988 6.4988 6.5161 6.5161 6.6724 6.6724 6.6931 6.6931 7.1088 7.1088 7.8308 7.8308 7.8435 7.8435 11.0734 11.0734 11.0943 11.0943 11.1055 11.1055 11.5030 11.5030 11.5429 11.5429 11.9472 11.9472 13.2825 13.2825 13.2930 13.2930 14.4415 14.4415 k = 0.0455 0.0209 0.0138 ( 3417 PWs) bands (ev): -54.1706 -54.1706 -54.1656 -54.1656 -28.6041 -28.6041 -28.5677 -28.5677 -27.8221 -27.8221 -27.7779 -27.7779 -27.7096 -27.7096 -27.6777 -27.6777 -11.4996 -11.4996 -10.3693 -10.3693 -9.4925 -9.4925 -9.4924 -9.4924 -9.0298 -9.0298 -9.0208 -9.0208 1.7702 1.7702 1.9960 1.9960 2.1802 2.1802 2.3489 2.3489 2.3595 2.3595 2.8623 2.8623 2.8667 2.8667 4.7771 4.7771 4.7784 4.7784 5.6145 5.6145 5.6275 5.6275 6.5217 6.5217 6.5386 6.5386 6.6545 6.6545 6.6757 6.6757 7.1274 7.1274 7.8364 7.8364 7.8491 7.8491 11.0683 11.0683 11.0892 11.0892 11.1004 11.1004 11.5010 11.5010 11.5410 11.5410 11.9512 11.9512 13.2810 13.2810 13.2915 13.2915 14.4485 14.4485 k = 0.0303 0.0140 0.0092 ( 3417 PWs) bands (ev): -54.1707 -54.1707 -54.1655 -54.1655 -28.6042 -28.6042 -28.5676 -28.5676 -27.8222 -27.8222 -27.7777 -27.7777 -27.7096 -27.7096 -27.6776 -27.6776 -11.5025 -11.5025 -10.3656 -10.3656 -9.4938 -9.4938 -9.4937 -9.4937 -9.0284 -9.0284 -9.0194 -9.0194 1.7770 1.7770 1.9792 1.9792 2.1833 2.1833 2.3469 2.3469 2.3575 2.3575 2.8633 2.8633 2.8678 2.8678 4.7739 4.7739 4.7752 4.7752 5.6107 5.6107 5.6319 5.6319 6.5429 6.5429 6.5591 6.5591 6.6368 6.6368 6.6589 6.6589 7.1409 7.1409 7.8405 7.8405 7.8530 7.8530 11.0646 11.0646 11.0855 11.0855 11.0967 11.0967 11.4995 11.4995 11.5395 11.5395 11.9540 11.9540 13.2799 13.2799 13.2904 13.2904 14.4536 14.4536 k = 0.0152 0.0070 0.0046 ( 3417 PWs) bands (ev): -54.1707 -54.1707 -54.1655 -54.1655 -28.6043 -28.6043 -28.5676 -28.5676 -27.8223 -27.8223 -27.7777 -27.7777 -27.7097 -27.7097 -27.6776 -27.6776 -11.5042 -11.5042 -10.3634 -10.3634 -9.4945 -9.4945 -9.4944 -9.4944 -9.0276 -9.0276 -9.0185 -9.0185 1.7816 1.7816 1.9684 1.9684 2.1852 2.1852 2.3456 2.3456 2.3563 2.3563 2.8640 2.8640 2.8685 2.8685 4.7721 4.7721 4.7733 4.7733 5.6083 5.6083 5.6345 5.6345 6.5610 6.5610 6.5757 6.5757 6.6208 6.6208 6.6444 6.6444 7.1491 7.1491 7.8429 7.8429 7.8554 7.8554 11.0624 11.0624 11.0833 11.0833 11.0944 11.0944 11.4986 11.4986 11.5387 11.5387 11.9557 11.9557 13.2792 13.2792 13.2898 13.2898 14.4566 14.4566 k = 0.0000 0.0000 0.0000 ( 3411 PWs) bands (ev): -54.1707 -54.1707 -54.1655 -54.1655 -28.6043 -28.6043 -28.5675 -28.5675 -27.8223 -27.8223 -27.7776 -27.7776 -27.7097 -27.7097 -27.6775 -27.6775 -11.5048 -11.5048 -10.3627 -10.3627 -9.4948 -9.4948 -9.4947 -9.4947 -9.0273 -9.0273 -9.0182 -9.0182 1.7833 1.7833 1.9647 1.9647 2.1858 2.1858 2.3452 2.3452 2.3559 2.3559 2.8642 2.8642 2.8687 2.8687 4.7714 4.7714 4.7726 4.7726 5.6076 5.6076 5.6353 5.6353 6.5698 6.5698 6.5831 6.5831 6.6127 6.6127 6.6378 6.6378 7.1519 7.1519 7.8437 7.8437 7.8563 7.8563 11.0616 11.0616 11.0825 11.0825 11.0937 11.0937 11.4983 11.4983 11.5384 11.5384 11.9563 11.9563 13.2790 13.2790 13.2896 13.2896 14.4576 14.4576 k = 0.0000 0.0000 0.0000 ( 3411 PWs) bands (ev): -54.1707 -54.1707 -54.1655 -54.1655 -28.6043 -28.6043 -28.5675 -28.5675 -27.8223 -27.8223 -27.7776 -27.7776 -27.7097 -27.7097 -27.6775 -27.6775 -11.5048 -11.5048 -10.3627 -10.3627 -9.4948 -9.4948 -9.4947 -9.4947 -9.0273 -9.0273 -9.0182 -9.0182 1.7833 1.7833 1.9647 1.9647 2.1858 2.1858 2.3452 2.3452 2.3559 2.3559 2.8642 2.8642 2.8687 2.8687 4.7714 4.7714 4.7726 4.7726 5.6076 5.6076 5.6353 5.6353 6.5698 6.5698 6.5831 6.5831 6.6127 6.6127 6.6378 6.6378 7.1519 7.1519 7.8437 7.8437 7.8563 7.8563 11.0616 11.0616 11.0825 11.0825 11.0937 11.0937 11.4983 11.4983 11.5384 11.5384 11.9563 11.9563 13.2790 13.2790 13.2896 13.2896 14.4576 14.4576 k = 0.0073-0.0063-0.0146 ( 3415 PWs) bands (ev): -54.1707 -54.1707 -54.1655 -54.1655 -28.6043 -28.6043 -28.5675 -28.5675 -27.8223 -27.8223 -27.7776 -27.7776 -27.7097 -27.7097 -27.6776 -27.6776 -11.5041 -11.5041 -10.3629 -10.3629 -9.4947 -9.4947 -9.4946 -9.4946 -9.0278 -9.0278 -9.0187 -9.0187 1.7819 1.7819 1.9658 1.9658 2.1853 2.1853 2.3469 2.3469 2.3578 2.3578 2.8640 2.8640 2.8695 2.8695 4.7697 4.7697 4.7729 4.7729 5.6097 5.6097 5.6358 5.6358 6.5679 6.5679 6.5793 6.5793 6.6152 6.6152 6.6381 6.6381 7.1522 7.1522 7.8421 7.8421 7.8547 7.8547 11.0620 11.0620 11.0828 11.0828 11.0939 11.0939 11.4980 11.4980 11.5381 11.5381 11.9560 11.9560 13.2782 13.2782 13.2888 13.2888 14.4434 14.4434 k = 0.0146-0.0125-0.0292 ( 3411 PWs) bands (ev): -54.1707 -54.1707 -54.1655 -54.1655 -28.6043 -28.6043 -28.5676 -28.5676 -27.8223 -27.8223 -27.7777 -27.7777 -27.7097 -27.7097 -27.6776 -27.6776 -11.5021 -11.5021 -10.3637 -10.3637 -9.4945 -9.4945 -9.4941 -9.4941 -9.0294 -9.0294 -9.0203 -9.0203 1.7777 1.7777 1.9689 1.9689 2.1839 2.1839 2.3507 2.3507 2.3645 2.3645 2.8609 2.8609 2.8743 2.8743 4.7634 4.7634 4.7753 4.7753 5.6163 5.6163 5.6373 5.6373 6.5605 6.5605 6.5718 6.5718 6.6201 6.6201 6.6391 6.6391 7.1531 7.1531 7.8365 7.8365 7.8509 7.8509 11.0632 11.0632 11.0835 11.0835 11.0947 11.0947 11.4972 11.4972 11.5373 11.5373 11.9550 11.9550 13.2752 13.2752 13.2867 13.2867 14.4111 14.4111 k = 0.0220-0.0188-0.0438 ( 3407 PWs) bands (ev): -54.1706 -54.1706 -54.1655 -54.1655 -28.6042 -28.6042 -28.5677 -28.5677 -27.8222 -27.8222 -27.7778 -27.7778 -27.7096 -27.7096 -27.6777 -27.6777 -11.4987 -11.4987 -10.3649 -10.3649 -9.4943 -9.4943 -9.4933 -9.4933 -9.0321 -9.0321 -9.0227 -9.0227 1.7710 1.7710 1.9742 1.9742 2.1815 2.1815 2.3553 2.3553 2.3773 2.3773 2.8548 2.8548 2.8832 2.8832 4.7529 4.7529 4.7793 4.7793 5.6269 5.6269 5.6396 5.6396 6.5459 6.5459 6.5648 6.5648 6.6237 6.6237 6.6420 6.6420 7.1546 7.1546 7.8257 7.8257 7.8460 7.8460 11.0651 11.0651 11.0846 11.0846 11.0960 11.0960 11.4959 11.4959 11.5360 11.5360 11.9533 11.9533 13.2697 13.2697 13.2841 13.2841 14.3770 14.3770 k = 0.0293-0.0251-0.0584 ( 3403 PWs) bands (ev): -54.1706 -54.1706 -54.1656 -54.1656 -28.6041 -28.6041 -28.5678 -28.5678 -27.8221 -27.8221 -27.7779 -27.7779 -27.7096 -27.7096 -27.6778 -27.6778 -11.4940 -11.4940 -10.3665 -10.3665 -9.4939 -9.4939 -9.4922 -9.4922 -9.0360 -9.0360 -9.0260 -9.0260 1.7623 1.7623 1.9815 1.9815 2.1781 2.1781 2.3605 2.3605 2.3958 2.3958 2.8462 2.8462 2.8957 2.8957 4.7386 4.7386 4.7850 4.7850 5.6395 5.6395 5.6446 5.6446 6.5262 6.5262 6.5572 6.5572 6.6232 6.6232 6.6487 6.6487 7.1567 7.1567 7.8096 7.8096 7.8406 7.8406 11.0677 11.0677 11.0863 11.0863 11.0978 11.0978 11.4942 11.4942 11.5341 11.5341 11.9510 11.9510 13.2615 13.2615 13.2813 13.2813 14.3443 14.3443 k = 0.0366-0.0313-0.0731 ( 3401 PWs) bands (ev): -54.1706 -54.1706 -54.1656 -54.1656 -28.6040 -28.6040 -28.5679 -28.5679 -27.8220 -27.8220 -27.7780 -27.7780 -27.7095 -27.7095 -27.6779 -27.6779 -11.4879 -11.4879 -10.3686 -10.3686 -9.4935 -9.4935 -9.4908 -9.4908 -9.0413 -9.0413 -9.0299 -9.0299 1.7520 1.7520 1.9909 1.9909 2.1739 2.1739 2.3668 2.3668 2.4194 2.4194 2.8354 2.8354 2.9113 2.9113 4.7208 4.7208 4.7922 4.7922 5.6442 5.6442 5.6618 5.6618 6.5026 6.5026 6.5481 6.5481 6.6183 6.6183 6.6588 6.6588 7.1594 7.1594 7.7888 7.7888 7.8343 7.8343 11.0708 11.0708 11.0884 11.0884 11.1001 11.1001 11.4919 11.4919 11.5319 11.5319 11.9480 11.9480 13.2510 13.2510 13.2783 13.2783 14.3138 14.3138 k = 0.0439-0.0376-0.0877 ( 3395 PWs) bands (ev): -54.1706 -54.1706 -54.1656 -54.1656 -28.6039 -28.6039 -28.5680 -28.5680 -27.8218 -27.8218 -27.7782 -27.7782 -27.7094 -27.7094 -27.6781 -27.6781 -11.4806 -11.4806 -10.3712 -10.3712 -9.4929 -9.4929 -9.4891 -9.4891 -9.0480 -9.0480 -9.0344 -9.0344 1.7406 1.7406 2.0022 2.0022 2.1690 2.1690 2.3742 2.3742 2.4473 2.4473 2.8226 2.8226 2.9298 2.9298 4.7000 4.7000 4.8010 4.8010 5.6472 5.6472 5.6844 5.6844 6.4755 6.4755 6.5373 6.5373 6.6099 6.6099 6.6712 6.6712 7.1627 7.1627 7.7637 7.7637 7.8271 7.8271 11.0742 11.0742 11.0911 11.0911 11.1029 11.1029 11.4893 11.4893 11.5292 11.5292 11.9444 11.9444 13.2388 13.2388 13.2749 13.2749 14.2856 14.2856 k = 0.0512-0.0438-0.1023 ( 3397 PWs) bands (ev): -54.1706 -54.1706 -54.1656 -54.1656 -28.6037 -28.6037 -28.5682 -28.5682 -27.8216 -27.8216 -27.7784 -27.7784 -27.7093 -27.7093 -27.6783 -27.6783 -11.4719 -11.4719 -10.3742 -10.3742 -9.4923 -9.4923 -9.4871 -9.4871 -9.0560 -9.0560 -9.0395 -9.0395 1.7285 1.7285 2.0155 2.0155 2.1637 2.1637 2.3827 2.3827 2.4791 2.4791 2.8082 2.8082 2.9509 2.9509 4.6766 4.6766 4.8112 4.8112 5.6497 5.6497 5.7106 5.7106 6.4450 6.4450 6.5249 6.5249 6.5982 6.5982 6.6853 6.6853 7.1667 7.1667 7.7349 7.7349 7.8188 7.8188 11.0776 11.0776 11.0943 11.0943 11.1062 11.1062 11.4863 11.4863 11.5262 11.5262 11.9401 11.9401 13.2253 13.2253 13.2711 13.2711 14.2597 14.2597 k = 0.0586-0.0501-0.1169 ( 3403 PWs) bands (ev): -54.1705 -54.1705 -54.1656 -54.1656 -28.6036 -28.6036 -28.5684 -28.5684 -27.8214 -27.8214 -27.7787 -27.7787 -27.7092 -27.7092 -27.6785 -27.6785 -11.4619 -11.4619 -10.3777 -10.3777 -9.4916 -9.4916 -9.4849 -9.4849 -9.0652 -9.0652 -9.0453 -9.0453 1.7163 1.7163 2.0307 2.0307 2.1579 2.1579 2.3923 2.3923 2.5144 2.5144 2.7925 2.7925 2.9742 2.9742 4.6510 4.6510 4.8229 4.8229 5.6516 5.6516 5.7400 5.7400 6.4113 6.4113 6.5107 6.5107 6.5835 6.5835 6.7007 6.7007 7.1712 7.1712 7.7027 7.7027 7.8096 7.8096 11.0810 11.0810 11.0978 11.0978 11.1102 11.1102 11.4831 11.4831 11.5230 11.5230 11.9351 11.9351 13.2112 13.2112 13.2669 13.2669 14.2360 14.2360 k = 0.0659-0.0564-0.1315 ( 3399 PWs) bands (ev): -54.1705 -54.1705 -54.1657 -54.1657 -28.6034 -28.6034 -28.5687 -28.5687 -27.8212 -27.8212 -27.7790 -27.7790 -27.7091 -27.7091 -27.6787 -27.6787 -11.4506 -11.4506 -10.3815 -10.3815 -9.4909 -9.4909 -9.4824 -9.4824 -9.0757 -9.0757 -9.0516 -9.0516 1.7041 1.7041 2.0477 2.0477 2.1521 2.1521 2.4031 2.4031 2.5527 2.5527 2.7758 2.7758 2.9994 2.9994 4.6238 4.6238 4.8360 4.8360 5.6527 5.6527 5.7722 5.7722 6.3742 6.3742 6.4950 6.4950 6.5658 6.5658 6.7170 6.7170 7.1765 7.1765 7.6677 7.6677 7.7995 7.7995 11.0842 11.0842 11.1013 11.1013 11.1151 11.1151 11.4796 11.4796 11.5198 11.5198 11.9295 11.9295 13.1968 13.1968 13.2623 13.2623 14.2144 14.2144 k = 0.0732-0.0626-0.1461 ( 3399 PWs) bands (ev): -54.1705 -54.1705 -54.1657 -54.1657 -28.6031 -28.6031 -28.5689 -28.5689 -27.8209 -27.8209 -27.7793 -27.7793 -27.7089 -27.7089 -27.6790 -27.6790 -11.4381 -11.4381 -10.3857 -10.3857 -9.4901 -9.4901 -9.4796 -9.4796 -9.0874 -9.0874 -9.0585 -9.0585 1.6922 1.6922 2.0664 2.0664 2.1463 2.1463 2.4148 2.4148 2.5937 2.5937 2.7585 2.7585 3.0262 3.0262 4.5954 4.5954 4.8505 4.8505 5.6529 5.6529 5.8066 5.8066 6.3338 6.3338 6.4778 6.4778 6.5453 6.5453 6.7341 6.7341 7.1823 7.1823 7.6303 7.6303 7.7887 7.7887 11.0872 11.0872 11.1044 11.1044 11.1212 11.1212 11.4758 11.4758 11.5166 11.5166 11.9232 11.9232 13.1826 13.1826 13.2573 13.2573 14.1946 14.1946 k = 0.0805-0.0689-0.1607 ( 3391 PWs) bands (ev): -54.1704 -54.1704 -54.1657 -54.1657 -28.6029 -28.6029 -28.5692 -28.5692 -27.8206 -27.8206 -27.7796 -27.7796 -27.7087 -27.7087 -27.6793 -27.6793 -11.4243 -11.4243 -10.3903 -10.3903 -9.4893 -9.4893 -9.4767 -9.4767 -9.1001 -9.1001 -9.0660 -9.0660 1.6810 1.6810 2.0866 2.0866 2.1406 2.1406 2.4275 2.4275 2.6372 2.6372 2.7409 2.7409 3.0543 3.0543 4.5661 4.5661 4.8661 4.8661 5.6519 5.6519 5.8429 5.8429 6.2901 6.2901 6.4593 6.4593 6.5221 6.5221 6.7513 6.7513 7.1888 7.1888 7.5910 7.5910 7.7772 7.7772 11.0899 11.0899 11.1070 11.1070 11.1283 11.1283 11.4717 11.4717 11.5138 11.5138 11.9163 11.9163 13.1691 13.1691 13.2520 13.2520 14.1764 14.1764 k = 0.0878-0.0752-0.1753 ( 3391 PWs) bands (ev): -54.1704 -54.1704 -54.1658 -54.1658 -28.6026 -28.6026 -28.5695 -28.5695 -27.8203 -27.8203 -27.7800 -27.7800 -27.7085 -27.7085 -27.6796 -27.6796 -11.4094 -11.4094 -10.3953 -10.3953 -9.4884 -9.4884 -9.4735 -9.4735 -9.1139 -9.1139 -9.0740 -9.0740 1.6706 1.6706 2.1081 2.1081 2.1353 2.1353 2.4410 2.4410 2.6827 2.6827 2.7237 2.7237 3.0834 3.0834 4.5363 4.5363 4.8830 4.8830 5.6497 5.6497 5.8803 5.8803 6.2431 6.2431 6.4398 6.4398 6.4965 6.4965 6.7685 6.7685 7.1959 7.1959 7.5502 7.5502 7.7653 7.7653 11.0924 11.0924 11.1090 11.1090 11.1364 11.1364 11.4673 11.4673 11.5114 11.5114 11.9089 11.9089 13.1566 13.1566 13.2464 13.2464 14.1598 14.1598 k = 0.0952-0.0814-0.1899 ( 3391 PWs) bands (ev): -54.1703 -54.1703 -54.1658 -54.1658 -28.6024 -28.6024 -28.5698 -28.5698 -27.8199 -27.8199 -27.7804 -27.7804 -27.7083 -27.7083 -27.6799 -27.6799 -11.3933 -11.3933 -10.4006 -10.4006 -9.4876 -9.4876 -9.4702 -9.4702 -9.1286 -9.1286 -9.0826 -9.0826 1.6611 1.6611 2.1291 2.1291 2.1320 2.1320 2.4553 2.4553 2.7066 2.7066 2.7309 2.7309 3.1132 3.1132 4.5065 4.5065 4.9008 4.9008 5.6463 5.6463 5.9183 5.9183 6.1928 6.1928 6.4195 6.4195 6.4688 6.4688 6.7852 6.7852 7.2036 7.2036 7.5084 7.5084 7.7529 7.7529 11.0945 11.0945 11.1105 11.1105 11.1453 11.1453 11.4625 11.4625 11.5097 11.5097 11.9009 11.9009 13.1454 13.1454 13.2404 13.2404 14.1446 14.1446 k = 0.1025-0.0877-0.2046 ( 3391 PWs) bands (ev): -54.1703 -54.1703 -54.1659 -54.1659 -28.6021 -28.6021 -28.5702 -28.5702 -27.8196 -27.8196 -27.7808 -27.7808 -27.7081 -27.7081 -27.6802 -27.6802 -11.3760 -11.3760 -10.4062 -10.4062 -9.4868 -9.4868 -9.4668 -9.4668 -9.1441 -9.1441 -9.0918 -9.0918 1.6526 1.6526 2.1256 2.1256 2.1544 2.1544 2.4702 2.4702 2.6914 2.6914 2.7801 2.7801 3.1433 3.1433 4.4769 4.4769 4.9196 4.9196 5.6417 5.6417 5.9559 5.9559 6.1391 6.1391 6.3990 6.3990 6.4393 6.4393 6.8011 6.8011 7.2120 7.2120 7.4660 7.4660 7.7403 7.7403 11.0963 11.0963 11.1116 11.1116 11.1549 11.1549 11.4573 11.4573 11.5088 11.5088 11.8924 11.8924 13.1359 13.1359 13.2343 13.2343 14.1305 14.1306 k = 0.1098-0.0939-0.2192 ( 3387 PWs) bands (ev): -54.1702 -54.1702 -54.1659 -54.1659 -28.6017 -28.6017 -28.5706 -28.5706 -27.8192 -27.8192 -27.7813 -27.7813 -27.7079 -27.7079 -27.6806 -27.6806 -11.3576 -11.3576 -10.4121 -10.4121 -9.4860 -9.4860 -9.4632 -9.4632 -9.1604 -9.1604 -9.1014 -9.1014 1.6454 1.6454 2.1216 2.1216 2.1782 2.1782 2.4858 2.4858 2.6778 2.6778 2.8312 2.8312 3.1736 3.1736 4.4478 4.4478 4.9391 4.9391 5.6358 5.6358 5.9917 5.9917 6.0824 6.0824 6.3790 6.3790 6.4084 6.4084 6.8157 6.8157 7.2211 7.2211 7.4233 7.4233 7.7277 7.7277 11.0975 11.0975 11.1125 11.1125 11.1650 11.1650 11.4516 11.4516 11.5086 11.5086 11.8836 11.8836 13.1282 13.1282 13.2281 13.2281 14.1176 14.1176 k = 0.1171-0.1002-0.2338 ( 3385 PWs) bands (ev): -54.1702 -54.1702 -54.1659 -54.1659 -28.6014 -28.6014 -28.5710 -28.5710 -27.8187 -27.8187 -27.7818 -27.7818 -27.7076 -27.7076 -27.6810 -27.6810 -11.3382 -11.3382 -10.4183 -10.4183 -9.4853 -9.4853 -9.4596 -9.4596 -9.1775 -9.1775 -9.1114 -9.1114 1.6393 1.6393 2.1182 2.1182 2.2019 2.2019 2.5019 2.5019 2.6668 2.6668 2.8836 2.8836 3.2037 3.2037 4.4195 4.4195 4.9592 4.9592 5.6287 5.6287 6.0178 6.0178 6.0291 6.0291 6.3606 6.3606 6.3769 6.3769 6.8288 6.8288 7.2307 7.2307 7.3806 7.3806 7.7151 7.7151 11.0980 11.0980 11.1134 11.1134 11.1755 11.1755 11.4454 11.4454 11.5090 11.5090 11.8745 11.8745 13.1226 13.1226 13.2217 13.2217 14.1056 14.1057 k = 0.1244-0.1065-0.2484 ( 3387 PWs) bands (ev): -54.1701 -54.1701 -54.1660 -54.1660 -28.6010 -28.6010 -28.5714 -28.5714 -27.8183 -27.8183 -27.7823 -27.7823 -27.7073 -27.7073 -27.6814 -27.6814 -11.3177 -11.3177 -10.4248 -10.4248 -9.4847 -9.4847 -9.4559 -9.4559 -9.1950 -9.1950 -9.1219 -9.1219 1.6345 1.6345 2.1153 2.1153 2.2248 2.2248 2.5185 2.5185 2.6590 2.6590 2.9372 2.9372 3.2333 3.2333 4.3923 4.3923 4.9797 4.9797 5.6204 5.6204 5.9588 5.9588 6.0523 6.0523 6.3400 6.3400 6.3510 6.3510 6.8401 6.8401 7.2411 7.2411 7.3383 7.3383 7.7028 7.7028 11.0979 11.0979 11.1145 11.1145 11.1864 11.1864 11.4388 11.4388 11.5099 11.5099 11.8655 11.8655 13.1191 13.1191 13.2154 13.2154 14.0944 14.0945 k = 0.1318-0.1127-0.2630 ( 3387 PWs) bands (ev): -54.1701 -54.1701 -54.1661 -54.1661 -28.6007 -28.6007 -28.5718 -28.5718 -27.8179 -27.8179 -27.7828 -27.7828 -27.7071 -27.7071 -27.6818 -27.6818 -11.2962 -11.2962 -10.4314 -10.4314 -9.4842 -9.4842 -9.4523 -9.4523 -9.2131 -9.2131 -9.1327 -9.1327 1.6311 1.6311 2.1130 2.1130 2.2461 2.2461 2.5357 2.5357 2.6553 2.6553 2.9919 2.9919 3.2621 3.2621 4.3664 4.3664 5.0004 5.0004 5.6110 5.6110 5.8934 5.8934 6.0706 6.0706 6.3086 6.3086 6.3422 6.3422 6.8494 6.8494 7.2520 7.2520 7.2965 7.2965 7.6909 7.6909 11.0972 11.0972 11.1156 11.1156 11.1976 11.1976 11.4319 11.4319 11.5110 11.5110 11.8566 11.8566 13.1179 13.1179 13.2090 13.2090 14.0839 14.0841 k = 0.1391-0.1190-0.2776 ( 3385 PWs) bands (ev): -54.1700 -54.1700 -54.1661 -54.1661 -28.6003 -28.6003 -28.5723 -28.5723 -27.8174 -27.8174 -27.7834 -27.7834 -27.7067 -27.7067 -27.6823 -27.6823 -11.2738 -11.2738 -10.4383 -10.4383 -9.4839 -9.4839 -9.4489 -9.4489 -9.2315 -9.2315 -9.1439 -9.1439 1.6290 1.6290 2.1113 2.1113 2.2648 2.2648 2.5536 2.5536 2.6563 2.6563 3.0473 3.0473 3.2899 3.2899 4.3421 4.3421 5.0209 5.0209 5.6004 5.6004 5.8257 5.8257 6.0773 6.0773 6.2756 6.2756 6.3442 6.3442 6.8565 6.8565 7.2554 7.2554 7.2637 7.2637 7.6795 7.6795 11.0961 11.0961 11.1169 11.1169 11.2091 11.2091 11.4247 11.4247 11.5119 11.5119 11.8483 11.8483 13.1190 13.1190 13.2029 13.2029 14.0739 14.0750 k = 0.1464-0.1253-0.2922 ( 3385 PWs) bands (ev): -54.1699 -54.1699 -54.1662 -54.1662 -28.5999 -28.5999 -28.5728 -28.5728 -27.8169 -27.8169 -27.7839 -27.7839 -27.7064 -27.7064 -27.6827 -27.6827 -11.2506 -11.2506 -10.4454 -10.4454 -9.4838 -9.4838 -9.4457 -9.4457 -9.2499 -9.2499 -9.1552 -9.1552 1.6284 1.6284 2.1102 2.1102 2.2804 2.2804 2.5723 2.5723 2.6628 2.6628 3.1033 3.1033 3.3165 3.3165 4.3195 4.3195 5.0410 5.0410 5.5888 5.5888 5.7564 5.7564 6.0718 6.0718 6.2429 6.2429 6.3560 6.3560 6.8614 6.8614 7.2154 7.2154 7.2759 7.2759 7.6687 7.6687 11.0948 11.0948 11.1181 11.1181 11.2208 11.2208 11.4174 11.4174 11.5121 11.5121 11.8407 11.8407 13.1225 13.1225 13.1969 13.1969 14.0628 14.0662 k = 0.1537-0.1315-0.3068 ( 3393 PWs) bands (ev): -54.1699 -54.1699 -54.1662 -54.1662 -28.5994 -28.5994 -28.5732 -28.5732 -27.8164 -27.8164 -27.7845 -27.7845 -27.7061 -27.7061 -27.6832 -27.6832 -11.2265 -11.2265 -10.4526 -10.4526 -9.4839 -9.4839 -9.4429 -9.4429 -9.2683 -9.2683 -9.1668 -9.1668 1.6291 1.6291 2.1097 2.1097 2.2924 2.2924 2.5916 2.5916 2.6752 2.6752 3.1595 3.1595 3.3414 3.3414 4.2988 4.2988 5.0600 5.0600 5.5762 5.5762 5.6861 5.6861 6.0556 6.0556 6.2108 6.2108 6.3752 6.3752 6.8640 6.8640 7.1764 7.1764 7.2887 7.2887 7.6587 7.6587 11.0936 11.0936 11.1191 11.1191 11.2325 11.2325 11.4100 11.4100 11.5113 11.5113 11.8342 11.8342 13.1283 13.1283 13.1912 13.1912 14.0349 14.0452 k = 0.1610-0.1378-0.3214 ( 3397 PWs) bands (ev): -54.1698 -54.1698 -54.1663 -54.1663 -28.5990 -28.5990 -28.5737 -28.5737 -27.8159 -27.8159 -27.7852 -27.7852 -27.7057 -27.7057 -27.6836 -27.6836 -11.2016 -11.2016 -10.4600 -10.4600 -9.4843 -9.4843 -9.4407 -9.4407 -9.2863 -9.2863 -9.1785 -9.1785 1.6313 1.6313 2.1097 2.1097 2.3007 2.3007 2.6111 2.6111 2.6940 2.6940 3.2158 3.2158 3.3644 3.3644 4.2801 4.2801 5.0775 5.0775 5.5624 5.5624 5.6159 5.6159 6.0317 6.0317 6.1797 6.1797 6.3986 6.3986 6.8647 6.8647 7.1386 7.1386 7.3020 7.3020 7.6496 7.6496 11.0926 11.0926 11.1199 11.1199 11.2442 11.2442 11.4026 11.4026 11.5090 11.5090 11.8292 11.8292 13.1364 13.1364 13.1860 13.1860 14.0004 14.0005 k = 0.1684-0.1440-0.3360 ( 3399 PWs) bands (ev): -54.1698 -54.1698 -54.1664 -54.1664 -28.5986 -28.5986 -28.5743 -28.5743 -27.8153 -27.8153 -27.7858 -27.7858 -27.7054 -27.7054 -27.6841 -27.6841 -11.1761 -11.1761 -10.4675 -10.4675 -9.4852 -9.4852 -9.4396 -9.4396 -9.3034 -9.3034 -9.1902 -9.1902 1.6348 1.6348 2.1103 2.1103 2.3060 2.3060 2.6298 2.6298 2.7196 2.7196 3.2716 3.2716 3.3853 3.3853 4.2637 4.2637 5.0926 5.0926 5.5419 5.5419 5.5528 5.5528 6.0024 6.0024 6.1500 6.1500 6.4232 6.4232 6.8637 6.8637 7.1022 7.1022 7.3158 7.3158 7.6413 7.6413 11.0920 11.0920 11.1205 11.1205 11.2558 11.2558 11.3956 11.3956 11.5051 11.5051 11.8257 11.8257 13.1465 13.1465 13.1816 13.1816 13.9660 13.9660 k = 0.1757-0.1503-0.3507 ( 3399 PWs) bands (ev): -54.1697 -54.1697 -54.1664 -54.1664 -28.5981 -28.5981 -28.5748 -28.5748 -27.8148 -27.8148 -27.7865 -27.7865 -27.7050 -27.7050 -27.6846 -27.6846 -11.1499 -11.1499 -10.4751 -10.4751 -9.4864 -9.4864 -9.4401 -9.4401 -9.3190 -9.3190 -9.2018 -9.2018 1.6398 1.6398 2.1113 2.1113 2.3089 2.3089 2.6475 2.6475 2.7515 2.7515 3.3267 3.3267 3.4038 3.4038 4.2496 4.2496 5.1037 5.1037 5.4795 5.4795 5.5338 5.5338 5.9693 5.9693 6.1219 6.1219 6.4468 6.4468 6.8614 6.8614 7.0673 7.0673 7.3300 7.3300 7.6341 7.6341 11.0918 11.0918 11.1208 11.1208 11.2669 11.2669 11.3890 11.3890 11.4993 11.4993 11.8240 11.8240 13.1575 13.1575 13.1789 13.1789 13.9312 13.9312 k = 0.1830-0.1566-0.3653 ( 3399 PWs) bands (ev): -54.1696 -54.1696 -54.1665 -54.1665 -28.5976 -28.5976 -28.5753 -28.5753 -27.8142 -27.8142 -27.7871 -27.7871 -27.7046 -27.7046 -27.6851 -27.6851 -11.1232 -11.1232 -10.4827 -10.4827 -9.4881 -9.4881 -9.4428 -9.4428 -9.3324 -9.3324 -9.2133 -9.2133 1.6462 1.6462 2.1128 2.1128 2.3102 2.3102 2.6639 2.6639 2.7891 2.7891 3.3803 3.3803 3.4199 3.4199 4.2378 4.2378 5.1085 5.1085 5.4197 5.4197 5.5174 5.5174 5.9335 5.9335 6.0956 6.0956 6.4679 6.4679 6.8583 6.8583 7.0341 7.0341 7.3444 7.3444 7.6278 7.6278 11.0921 11.0921 11.1207 11.1207 11.2773 11.2773 11.3834 11.3834 11.4916 11.4916 11.8241 11.8241 13.1646 13.1646 13.1829 13.1829 13.8963 13.8963 k = 0.1903-0.1628-0.3799 ( 3398 PWs) bands (ev): -54.1695 -54.1695 -54.1666 -54.1666 -28.5972 -28.5972 -28.5759 -28.5759 -27.8136 -27.8136 -27.7878 -27.7878 -27.7042 -27.7042 -27.6856 -27.6856 -11.0960 -11.0960 -10.4905 -10.4905 -9.4904 -9.4904 -9.4484 -9.4484 -9.3427 -9.3427 -9.2245 -9.2245 1.6539 1.6539 2.1147 2.1147 2.3107 2.3107 2.6792 2.6792 2.8312 2.8312 3.4264 3.4264 3.4387 3.4387 4.2285 4.2285 5.1036 5.1036 5.3697 5.3697 5.5003 5.5003 5.8958 5.8958 6.0714 6.0714 6.4850 6.4850 6.8552 6.8552 7.0026 7.0026 7.3591 7.3591 7.6225 7.6225 11.0928 11.0928 11.1202 11.1202 11.2862 11.2862 11.3793 11.3793 11.4821 11.4821 11.8257 11.8257 13.1645 13.1645 13.1970 13.1970 13.8615 13.8615 k = 0.1976-0.1691-0.3945 ( 3402 PWs) bands (ev): -54.1695 -54.1695 -54.1666 -54.1666 -28.5967 -28.5967 -28.5764 -28.5764 -27.8131 -27.8131 -27.7885 -27.7885 -27.7037 -27.7037 -27.6861 -27.6861 -11.0684 -11.0684 -10.4983 -10.4983 -9.4934 -9.4934 -9.4573 -9.4573 -9.3497 -9.3497 -9.2354 -9.2354 1.6630 1.6630 2.1169 2.1169 2.3111 2.3111 2.6935 2.6935 2.8772 2.8772 3.4398 3.4398 3.4845 3.4845 4.2217 4.2217 5.0854 5.0854 5.3342 5.3342 5.4824 5.4824 5.8565 5.8565 6.0494 6.0494 6.4971 6.4971 6.8526 6.8526 6.9731 6.9731 7.3739 7.3739 7.6180 7.6180 11.0938 11.0938 11.1195 11.1195 11.2928 11.2928 11.3776 11.3776 11.4712 11.4712 11.8287 11.8287 13.1626 13.1626 13.2156 13.2156 13.8268 13.8268 k = 0.2050-0.1754-0.4091 ( 3402 PWs) bands (ev): -54.1694 -54.1694 -54.1667 -54.1667 -28.5962 -28.5962 -28.5770 -28.5770 -27.8125 -27.8125 -27.7892 -27.7892 -27.7033 -27.7033 -27.6866 -27.6866 -11.0406 -11.0406 -10.5061 -10.5061 -9.4970 -9.4970 -9.4692 -9.4692 -9.3533 -9.3533 -9.2458 -9.2458 1.6733 1.6733 2.1194 2.1194 2.3118 2.3118 2.7070 2.7070 2.9264 2.9264 3.4457 3.4457 3.5311 3.5311 4.2173 4.2173 5.0537 5.0537 5.3143 5.3143 5.4637 5.4637 5.8161 5.8161 6.0296 6.0296 6.5036 6.5036 6.8511 6.8511 6.9456 6.9456 7.3887 7.3887 7.6145 7.6145 11.0950 11.0950 11.1186 11.1186 11.2962 11.2962 11.3793 11.3793 11.4591 11.4591 11.8328 11.8328 13.1608 13.1608 13.2367 13.2367 13.7923 13.7923 k = 0.2123-0.1816-0.4237 ( 3404 PWs) bands (ev): -54.1693 -54.1693 -54.1668 -54.1668 -28.5957 -28.5957 -28.5775 -28.5775 -27.8119 -27.8119 -27.7899 -27.7899 -27.7029 -27.7029 -27.6870 -27.6870 -11.0125 -11.0125 -10.5139 -10.5139 -9.5015 -9.5015 -9.4833 -9.4833 -9.3544 -9.3544 -9.2557 -9.2557 1.6849 1.6849 2.1220 2.1220 2.3133 2.3133 2.7197 2.7197 2.9781 2.9781 3.4476 3.4476 3.5742 3.5742 4.2153 4.2153 5.0131 5.0131 5.3063 5.3063 5.4441 5.4441 5.7751 5.7751 6.0121 6.0121 6.5040 6.5040 6.8511 6.8511 6.9204 6.9204 7.4034 7.4034 7.6117 7.6117 11.0960 11.0960 11.1175 11.1175 11.2961 11.2961 11.3847 11.3847 11.4462 11.4462 11.8376 11.8376 13.1595 13.1595 13.2600 13.2600 13.7581 13.7581 k = 0.2196-0.1879-0.4383 ( 3402 PWs) bands (ev): -54.1692 -54.1692 -54.1669 -54.1669 -28.5952 -28.5952 -28.5781 -28.5781 -27.8113 -27.8113 -27.7906 -27.7906 -27.7024 -27.7024 -27.6875 -27.6875 -10.9844 -10.9844 -10.5218 -10.5218 -9.5069 -9.5069 -9.4988 -9.4988 -9.3535 -9.3535 -9.2649 -9.2649 1.6977 1.6977 2.1246 2.1246 2.3159 2.3159 2.7316 2.7316 3.0322 3.0322 3.4452 3.4452 3.6127 3.6127 4.2156 4.2156 4.9697 4.9697 5.3055 5.3055 5.4234 5.4234 5.7337 5.7337 5.9968 5.9968 6.4985 6.4985 6.8525 6.8525 6.8975 6.8975 7.4180 7.4180 7.6095 7.6095 11.0964 11.0964 11.1167 11.1167 11.2928 11.2928 11.3935 11.3935 11.4332 11.4332 11.8428 11.8428 13.1590 13.1590 13.2851 13.2851 13.7244 13.7244 k = 0.2269-0.1941-0.4529 ( 3408 PWs) bands (ev): -54.1692 -54.1692 -54.1669 -54.1669 -28.5947 -28.5947 -28.5787 -28.5787 -27.8107 -27.8107 -27.7913 -27.7913 -27.7019 -27.7019 -27.6880 -27.6880 -10.9564 -10.9564 -10.5295 -10.5295 -9.5158 -9.5158 -9.5124 -9.5124 -9.3514 -9.3514 -9.2734 -9.2734 1.7117 1.7117 2.1272 2.1272 2.3198 2.3198 2.7427 2.7427 3.0881 3.0881 3.4384 3.4384 3.6455 3.6455 4.2181 4.2181 4.9283 4.9283 5.3083 5.3083 5.4015 5.4015 5.6924 5.6924 5.9836 5.9836 6.4874 6.4874 6.8551 6.8551 6.8773 6.8773 7.4322 7.4322 7.6078 7.6078 11.0958 11.0958 11.1163 11.1163 11.2872 11.2872 11.4045 11.4045 11.4204 11.4204 11.8481 11.8481 13.1593 13.1593 13.3119 13.3119 13.6913 13.6913 k = 0.2342-0.2004-0.4675 ( 3406 PWs) bands (ev): -54.1691 -54.1691 -54.1670 -54.1670 -28.5942 -28.5942 -28.5792 -28.5792 -27.8101 -27.8101 -27.7921 -27.7921 -27.7014 -27.7014 -27.6885 -27.6885 -10.9285 -10.9285 -10.5373 -10.5373 -9.5319 -9.5319 -9.5199 -9.5199 -9.3485 -9.3485 -9.2812 -9.2812 1.7268 1.7268 2.1296 2.1296 2.3252 2.3252 2.7532 2.7532 3.1457 3.1457 3.4271 3.4271 3.6719 3.6719 4.2226 4.2226 4.8921 4.8921 5.3129 5.3129 5.3783 5.3783 5.6516 5.6516 5.9723 5.9723 6.4715 6.4715 6.8560 6.8560 6.8623 6.8623 7.4460 7.4460 7.6063 7.6063 11.0940 11.0940 11.1164 11.1164 11.2801 11.2801 11.4072 11.4072 11.4184 11.4184 11.8531 11.8531 13.1604 13.1604 13.3402 13.3402 13.6587 13.6587 k = 0.2416-0.2067-0.4822 ( 3402 PWs) bands (ev): -54.1690 -54.1690 -54.1671 -54.1671 -28.5937 -28.5937 -28.5798 -28.5798 -27.8095 -27.8095 -27.7928 -27.7928 -27.7009 -27.7009 -27.6890 -27.6890 -10.9008 -10.9008 -10.5450 -10.5450 -9.5480 -9.5480 -9.5280 -9.5280 -9.3450 -9.3450 -9.2881 -9.2881 1.7429 1.7429 2.1317 2.1317 2.3323 2.3323 2.7631 2.7631 3.2047 3.2047 3.4111 3.4111 3.6912 3.6912 4.2289 4.2289 4.8630 4.8630 5.3181 5.3181 5.3535 5.3535 5.6118 5.6118 5.9627 5.9627 6.4514 6.4514 6.8432 6.8432 6.8640 6.8640 7.4593 7.4593 7.6048 7.6048 11.0909 11.0909 11.1168 11.1168 11.2720 11.2720 11.3963 11.3963 11.4321 11.4321 11.8577 11.8577 13.1625 13.1625 13.3698 13.3698 13.6269 13.6269 k = 0.2489-0.2129-0.4968 ( 3400 PWs) bands (ev): -54.1689 -54.1689 -54.1672 -54.1672 -28.5932 -28.5932 -28.5804 -28.5804 -27.8089 -27.8089 -27.7935 -27.7935 -27.7004 -27.7004 -27.6895 -27.6895 -10.8737 -10.8737 -10.5526 -10.5526 -9.5637 -9.5637 -9.5370 -9.5370 -9.3411 -9.3411 -9.2942 -9.2942 1.7599 1.7599 2.1331 2.1331 2.3412 2.3412 2.7724 2.7724 3.2649 3.2649 3.3905 3.3905 3.7029 3.7029 4.2368 4.2368 4.8423 4.8423 5.3199 5.3199 5.3306 5.3306 5.5736 5.5736 5.9545 5.9545 6.4280 6.4280 6.8307 6.8307 6.8682 6.8682 7.4720 7.4720 7.6030 7.6030 11.0867 11.0867 11.1171 11.1171 11.2632 11.2632 11.3865 11.3865 11.4471 11.4471 11.8616 11.8616 13.1655 13.1655 13.4007 13.4007 13.5958 13.5958 k = 0.2562-0.2192-0.5114 ( 3402 PWs) bands (ev): -54.1688 -54.1688 -54.1672 -54.1672 -28.5927 -28.5927 -28.5809 -28.5809 -27.8084 -27.8084 -27.7942 -27.7942 -27.6999 -27.6999 -27.6899 -27.6899 -10.8470 -10.8470 -10.5602 -10.5602 -9.5787 -9.5787 -9.5468 -9.5468 -9.3369 -9.3369 -9.2995 -9.2995 1.7779 1.7779 2.1339 2.1339 2.3519 2.3519 2.7814 2.7814 3.3260 3.3260 3.3655 3.3655 3.7071 3.7071 4.2460 4.2460 4.8302 4.8302 5.2947 5.2947 5.3325 5.3325 5.5377 5.5377 5.9476 5.9476 6.4020 6.4020 6.8208 6.8208 6.8724 6.8724 7.4839 7.4839 7.6008 7.6008 11.0816 11.0816 11.1168 11.1168 11.2539 11.2539 11.3785 11.3785 11.4628 11.4628 11.8646 11.8646 13.1695 13.1695 13.4325 13.4325 13.5656 13.5656 k = 0.2635-0.2255-0.5260 ( 3400 PWs) bands (ev): -54.1688 -54.1688 -54.1673 -54.1673 -28.5922 -28.5922 -28.5815 -28.5815 -27.8078 -27.8078 -27.7949 -27.7949 -27.6994 -27.6994 -27.6904 -27.6904 -10.8211 -10.8211 -10.5676 -10.5676 -9.5926 -9.5926 -9.5574 -9.5574 -9.3327 -9.3327 -9.3041 -9.3041 1.7968 1.7968 2.1336 2.1336 2.3646 2.3646 2.7901 2.7901 3.3358 3.3358 3.3882 3.3882 3.7043 3.7043 4.2562 4.2562 4.8263 4.8263 5.2623 5.2623 5.3396 5.3396 5.5045 5.5045 5.9417 5.9417 6.3740 6.3740 6.8134 6.8134 6.8763 6.8763 7.4951 7.4951 7.5978 7.5978 11.0758 11.0758 11.1158 11.1158 11.2442 11.2442 11.3724 11.3724 11.4791 11.4791 11.8667 11.8667 13.1744 13.1744 13.4651 13.4651 13.5364 13.5364 k = 0.2708-0.2317-0.5406 ( 3398 PWs) bands (ev): -54.1687 -54.1687 -54.1674 -54.1674 -28.5918 -28.5918 -28.5820 -28.5820 -27.8073 -27.8073 -27.7956 -27.7956 -27.6989 -27.6989 -27.6908 -27.6908 -10.7961 -10.7961 -10.5750 -10.5750 -9.6053 -9.6053 -9.5687 -9.5687 -9.3283 -9.3283 -9.3079 -9.3079 1.8163 1.8163 2.1321 2.1321 2.3791 2.3791 2.7986 2.7986 3.3027 3.3027 3.4506 3.4506 3.6955 3.6955 4.2672 4.2672 4.8295 4.8295 5.2266 5.2266 5.3480 5.3480 5.4745 5.4745 5.9366 5.9366 6.3446 6.3446 6.8084 6.8084 6.8799 6.8799 7.5053 7.5053 7.5939 7.5939 11.0693 11.0693 11.1138 11.1138 11.2343 11.2343 11.3684 11.3684 11.4957 11.4957 11.8677 11.8677 13.1804 13.1804 13.4979 13.4979 13.5086 13.5086 k = 0.2782-0.2380-0.5552 ( 3398 PWs) bands (ev): -54.1686 -54.1686 -54.1674 -54.1674 -28.5913 -28.5913 -28.5825 -28.5825 -27.8068 -27.8068 -27.7962 -27.7962 -27.6984 -27.6984 -27.6913 -27.6913 -10.7721 -10.7721 -10.5822 -10.5822 -9.6167 -9.6167 -9.5806 -9.5806 -9.3240 -9.3240 -9.3111 -9.3111 1.8366 1.8366 2.1289 2.1289 2.3957 2.3957 2.8071 2.8071 3.2663 3.2663 3.5133 3.5133 3.6816 3.6816 4.2784 4.2784 4.8382 4.8382 5.1878 5.1878 5.3579 5.3579 5.4479 5.4479 5.9322 5.9322 6.3142 6.3142 6.8056 6.8056 6.8832 6.8832 7.5145 7.5145 7.5889 7.5889 11.0622 11.0622 11.1110 11.1110 11.2243 11.2243 11.3665 11.3665 11.5128 11.5128 11.8676 11.8676 13.1873 13.1873 13.4809 13.4809 13.5321 13.5321 k = 0.2855-0.2443-0.5698 ( 3406 PWs) bands (ev): -54.1686 -54.1686 -54.1675 -54.1675 -28.5909 -28.5909 -28.5829 -28.5829 -27.8063 -27.8063 -27.7969 -27.7969 -27.6978 -27.6978 -27.6917 -27.6917 -10.7493 -10.7493 -10.5893 -10.5893 -9.6266 -9.6266 -9.5929 -9.5929 -9.3196 -9.3196 -9.3137 -9.3137 1.8575 1.8575 2.1239 2.1239 2.4142 2.4142 2.8157 2.8157 3.2275 3.2275 3.5761 3.5761 3.6640 3.6640 4.2898 4.2898 4.8507 4.8507 5.1462 5.1462 5.3699 5.3699 5.4247 5.4247 5.9284 5.9284 6.2834 6.2834 6.8049 6.8049 6.8862 6.8862 7.5225 7.5225 7.5827 7.5827 11.0545 11.0545 11.1073 11.1073 11.2142 11.2142 11.3666 11.3666 11.5301 11.5301 11.8663 11.8663 13.1952 13.1952 13.4550 13.4550 13.5658 13.5658 k = 0.2928-0.2505-0.5844 ( 3402 PWs) bands (ev): -54.1685 -54.1685 -54.1676 -54.1676 -28.5905 -28.5905 -28.5834 -28.5834 -27.8058 -27.8058 -27.7975 -27.7975 -27.6973 -27.6973 -27.6921 -27.6921 -10.7278 -10.7278 -10.5962 -10.5962 -9.6348 -9.6348 -9.6057 -9.6057 -9.3162 -9.3162 -9.3150 -9.3150 1.8789 1.8789 2.1166 2.1166 2.4346 2.4346 2.8245 2.8245 3.1872 3.1872 3.6384 3.6384 3.6438 3.6438 4.3007 4.3007 4.8651 4.8651 5.1023 5.1023 5.3841 5.3841 5.4049 5.4049 5.9251 5.9251 6.2524 6.2524 6.8061 6.8061 6.8890 6.8890 7.5286 7.5286 7.5758 7.5758 11.0463 11.0463 11.1028 11.1028 11.2042 11.2042 11.3683 11.3683 11.5477 11.5477 11.8639 11.8639 13.2039 13.2039 13.4305 13.4305 13.5995 13.5995 k = 0.3001-0.2568-0.5990 ( 3396 PWs) bands (ev): -54.1684 -54.1684 -54.1677 -54.1677 -28.5902 -28.5902 -28.5838 -28.5838 -27.8055 -27.8055 -27.7980 -27.7980 -27.6968 -27.6968 -27.6926 -27.6926 -10.7077 -10.7077 -10.6030 -10.6030 -9.6412 -9.6412 -9.6188 -9.6188 -9.3177 -9.3177 -9.3110 -9.3110 1.9007 1.9007 2.1066 2.1066 2.4571 2.4571 2.8336 2.8336 3.1464 3.1464 3.6212 3.6212 3.7008 3.7008 4.3110 4.3110 4.8797 4.8797 5.0567 5.0567 5.3861 5.3861 5.4035 5.4035 5.9222 5.9222 6.2217 6.2217 6.8089 6.8089 6.8917 6.8917 7.5316 7.5316 7.5691 7.5691 11.0375 11.0375 11.0979 11.0979 11.1942 11.1942 11.3714 11.3714 11.5654 11.5654 11.8603 11.8603 13.2135 13.2135 13.4074 13.4074 13.6330 13.6330 k = 0.3074-0.2630-0.6137 ( 3388 PWs) bands (ev): -54.1683 -54.1683 -54.1677 -54.1677 -28.5899 -28.5899 -28.5841 -28.5841 -27.8051 -27.8051 -27.7985 -27.7985 -27.6962 -27.6962 -27.6929 -27.6929 -10.6892 -10.6892 -10.6097 -10.6097 -9.6458 -9.6458 -9.6320 -9.6320 -9.3190 -9.3190 -9.3070 -9.3070 1.9229 1.9229 2.0937 2.0937 2.4814 2.4814 2.8432 2.8432 3.1058 3.1058 3.5979 3.5979 3.7620 3.7620 4.3201 4.3201 4.8930 4.8930 5.0098 5.0098 5.3723 5.3723 5.4242 5.4242 5.9197 5.9197 6.1916 6.1916 6.8130 6.8130 6.8945 6.8945 7.5291 7.5291 7.5651 7.5651 11.0281 11.0281 11.0927 11.0927 11.1846 11.1846 11.3757 11.3757 11.5832 11.5832 11.8558 11.8558 13.2236 13.2236 13.3860 13.3860 13.6660 13.6660 k = 0.3148-0.2693-0.6283 ( 3386 PWs) bands (ev): -54.1683 -54.1683 -54.1678 -54.1678 -28.5897 -28.5897 -28.5844 -28.5844 -27.8049 -27.8049 -27.7988 -27.7988 -27.6957 -27.6957 -27.6933 -27.6933 -10.6724 -10.6724 -10.6161 -10.6161 -9.6486 -9.6486 -9.6452 -9.6452 -9.3200 -9.3200 -9.3031 -9.3031 1.9454 1.9454 2.0776 2.0776 2.5077 2.5077 2.8535 2.8535 3.0665 3.0665 3.5741 3.5741 3.8220 3.8220 4.3278 4.3278 4.9040 4.9040 4.9622 4.9622 5.3605 5.3605 5.4492 5.4492 5.9176 5.9176 6.1625 6.1625 6.8182 6.8182 6.8972 6.8972 7.5197 7.5197 7.5651 7.5651 11.0181 11.0181 11.0873 11.0873 11.1752 11.1752 11.3807 11.3807 11.6010 11.6010 11.8503 11.8503 13.2338 13.2338 13.3668 13.3668 13.6981 13.6981 k = 0.3221-0.2756-0.6429 ( 3386 PWs) bands (ev): -54.1683 -54.1683 -54.1678 -54.1678 -28.5896 -28.5896 -28.5845 -28.5845 -27.8048 -27.8048 -27.7991 -27.7991 -27.6952 -27.6952 -27.6937 -27.6937 -10.6573 -10.6573 -10.6224 -10.6224 -9.6589 -9.6589 -9.6489 -9.6489 -9.3207 -9.3207 -9.2993 -9.2993 1.9680 1.9680 2.0580 2.0580 2.5357 2.5357 2.8644 2.8644 3.0290 3.0290 3.5504 3.5504 3.8804 3.8804 4.3336 4.3336 4.9088 4.9088 4.9176 4.9176 5.3513 5.3513 5.4779 5.4779 5.9158 5.9158 6.1345 6.1345 6.8243 6.8243 6.9002 6.9002 7.5051 7.5051 7.5673 7.5673 11.0074 11.0074 11.0819 11.0819 11.1662 11.1662 11.3861 11.3861 11.6187 11.6187 11.8440 11.8440 13.2435 13.2435 13.3504 13.3504 13.7287 13.7287 k = 0.3294-0.2818-0.6575 ( 3386 PWs) bands (ev): -54.1682 -54.1682 -54.1678 -54.1678 -28.5895 -28.5895 -28.5846 -28.5846 -27.8048 -27.8048 -27.7992 -27.7992 -27.6947 -27.6947 -27.6940 -27.6940 -10.6441 -10.6441 -10.6283 -10.6283 -9.6722 -9.6722 -9.6476 -9.6476 -9.3212 -9.3212 -9.2958 -9.2958 1.9906 1.9906 2.0350 2.0350 2.5655 2.5655 2.8761 2.8761 2.9940 2.9940 3.5273 3.5273 3.9366 3.9366 4.3371 4.3371 4.8660 4.8660 4.9177 4.9177 5.3446 5.3446 5.5100 5.5100 5.9143 5.9143 6.1081 6.1081 6.8311 6.8311 6.9033 6.9033 7.4869 7.4869 7.5701 7.5701 10.9961 10.9961 11.0766 11.0766 11.1577 11.1577 11.3917 11.3917 11.6363 11.6363 11.8371 11.8371 13.2508 13.2508 13.3386 13.3386 13.7543 13.7543 k = 0.3367-0.2881-0.6721 ( 3388 PWs) bands (ev): -54.1682 -54.1682 -54.1678 -54.1678 -28.5896 -28.5896 -28.5845 -28.5845 -27.8050 -27.8050 -27.7992 -27.7992 -27.6945 -27.6945 -27.6940 -27.6940 -10.6353 -10.6353 -10.6315 -10.6315 -9.6855 -9.6855 -9.6443 -9.6443 -9.3215 -9.3215 -9.2924 -9.2924 2.0047 2.0047 2.0169 2.0169 2.5971 2.5971 2.8888 2.8888 2.9616 2.9616 3.5050 3.5050 3.9900 3.9900 4.3380 4.3380 4.8194 4.8194 4.9191 4.9191 5.3405 5.3405 5.5450 5.5450 5.9131 5.9131 6.0835 6.0835 6.8384 6.8384 6.9066 6.9066 7.4660 7.4660 7.5729 7.5729 10.9842 10.9842 11.0714 11.0714 11.1498 11.1498 11.3970 11.3970 11.6536 11.6536 11.8299 11.8299 13.2535 13.2535 13.3337 13.3337 13.7559 13.7559 k = 0.3440-0.2944-0.6867 ( 3384 PWs) bands (ev): -54.1682 -54.1682 -54.1678 -54.1678 -28.5898 -28.5898 -28.5844 -28.5844 -27.8052 -27.8052 -27.7991 -27.7991 -27.6948 -27.6948 -27.6936 -27.6936 -10.6402 -10.6402 -10.6224 -10.6224 -9.6985 -9.6985 -9.6391 -9.6391 -9.3217 -9.3217 -9.2894 -9.2894 1.9768 1.9768 2.0375 2.0375 2.6302 2.6302 2.9023 2.9023 2.9322 2.9322 3.4841 3.4841 4.0400 4.0400 4.3359 4.3359 4.7741 4.7741 4.9175 4.9175 5.3392 5.3392 5.5823 5.5823 5.9122 5.9122 6.0608 6.0608 6.8460 6.8460 6.9102 6.9102 7.4428 7.4428 7.5754 7.5754 10.9716 10.9716 11.0664 11.0664 11.1425 11.1425 11.4019 11.4019 11.6707 11.6707 11.8225 11.8225 13.2501 13.2501 13.3371 13.3371 13.7415 13.7415 k = 0.3514-0.3006-0.7013 ( 3380 PWs) bands (ev): -54.1683 -54.1683 -54.1678 -54.1678 -28.5900 -28.5900 -28.5842 -28.5842 -27.8055 -27.8055 -27.7989 -27.7989 -27.6951 -27.6951 -27.6931 -27.6931 -10.6456 -10.6456 -10.6144 -10.6144 -9.7113 -9.7113 -9.6321 -9.6321 -9.3217 -9.3217 -9.2865 -9.2865 1.9437 1.9437 2.0603 2.0603 2.6648 2.6648 2.9041 2.9041 2.9183 2.9183 3.4648 3.4648 4.0856 4.0856 4.3307 4.3307 4.7310 4.7310 4.9133 4.9133 5.3406 5.3406 5.6211 5.6211 5.9115 5.9115 6.0402 6.0402 6.8539 6.8539 6.9140 6.9140 7.4175 7.4175 7.5776 7.5776 10.9584 10.9584 11.0615 11.0615 11.1358 11.1358 11.4061 11.4061 11.6873 11.6873 11.8151 11.8151 13.2420 13.2420 13.3473 13.3473 13.7251 13.7251 k = 0.3587-0.3069-0.7159 ( 3384 PWs) bands (ev): -54.1683 -54.1683 -54.1677 -54.1677 -28.5903 -28.5903 -28.5840 -28.5840 -27.8059 -27.8059 -27.7986 -27.7986 -27.6954 -27.6954 -27.6926 -27.6926 -10.6508 -10.6508 -10.6079 -10.6079 -9.7239 -9.7239 -9.6234 -9.6234 -9.3216 -9.3216 -9.2840 -9.2840 1.9079 1.9079 2.0831 2.0831 2.7008 2.7008 2.8802 2.8802 2.9337 2.9337 3.4474 3.4474 4.1254 4.1254 4.3226 4.3226 4.6908 4.6908 4.9068 4.9068 5.3452 5.3452 5.6608 5.6608 5.9112 5.9112 6.0220 6.0220 6.8617 6.8617 6.9180 6.9180 7.3903 7.3903 7.5793 7.5793 10.9447 10.9447 11.0569 11.0569 11.1297 11.1297 11.4093 11.4093 11.7034 11.7034 11.8082 11.8082 13.2316 13.2316 13.3617 13.3617 13.7084 13.7084 k = 0.6413-0.0766-0.5641 ( 3384 PWs) bands (ev): -54.1683 -54.1683 -54.1677 -54.1677 -28.5903 -28.5903 -28.5840 -28.5840 -27.8059 -27.8059 -27.7986 -27.7986 -27.6954 -27.6954 -27.6926 -27.6926 -10.6508 -10.6508 -10.6079 -10.6079 -9.7239 -9.7239 -9.6234 -9.6234 -9.3216 -9.3216 -9.2840 -9.2840 1.9079 1.9079 2.0831 2.0831 2.7008 2.7008 2.8802 2.8802 2.9337 2.9337 3.4474 3.4474 4.1254 4.1254 4.3226 4.3226 4.6907 4.6907 4.9068 4.9068 5.3452 5.3452 5.6608 5.6608 5.9112 5.9112 6.0220 6.0220 6.8617 6.8617 6.9180 6.9180 7.3903 7.3903 7.5793 7.5793 10.9447 10.9447 11.0569 11.0569 11.1297 11.1297 11.4093 11.4093 11.7034 11.7034 11.8082 11.8082 13.2316 13.2316 13.3617 13.3617 13.7084 13.7084 k = 0.6342-0.0613-0.5641 ( 3376 PWs) bands (ev): -54.1684 -54.1684 -54.1677 -54.1677 -28.5906 -28.5906 -28.5837 -28.5837 -27.8063 -27.8063 -27.7984 -27.7984 -27.6957 -27.6957 -27.6922 -27.6922 -10.6557 -10.6557 -10.6031 -10.6031 -9.7356 -9.7356 -9.6136 -9.6136 -9.3215 -9.3215 -9.2819 -9.2819 1.8714 1.8714 2.1050 2.1050 2.7367 2.7367 2.8584 2.8584 2.9504 2.9504 3.4326 3.4326 4.1562 4.1562 4.3129 4.3129 4.6553 4.6553 4.8987 4.8987 5.3526 5.3526 5.6990 5.6990 5.9115 5.9115 6.0067 6.0067 6.8693 6.8693 6.9220 6.9220 7.3626 7.3626 7.5807 7.5807 10.9309 10.9309 11.0525 11.0525 11.1245 11.1245 11.4112 11.4112 11.7184 11.7184 11.8021 11.8021 13.2210 13.2210 13.3779 13.3779 13.6924 13.6924 k = 0.6272-0.0460-0.5641 ( 3372 PWs) bands (ev): -54.1684 -54.1684 -54.1676 -54.1676 -28.5909 -28.5909 -28.5834 -28.5834 -27.8067 -27.8067 -27.7981 -27.7981 -27.6959 -27.6959 -27.6917 -27.6917 -10.6603 -10.6603 -10.5995 -10.5995 -9.7470 -9.7470 -9.6026 -9.6026 -9.3213 -9.3213 -9.2801 -9.2801 1.8335 1.8335 2.1267 2.1267 2.7736 2.7736 2.8381 2.8381 2.9684 2.9684 3.4199 3.4199 4.1763 4.1763 4.3039 4.3039 4.6240 4.6240 4.8892 4.8892 5.3632 5.3632 5.7363 5.7363 5.9127 5.9127 5.9936 5.9936 6.8768 6.8768 6.9260 6.9260 7.3335 7.3335 7.5819 7.5819 10.9169 10.9169 11.0482 11.0482 11.1198 11.1198 11.4119 11.4119 11.7325 11.7325 11.7970 11.7970 13.2104 13.2104 13.3957 13.3957 13.6766 13.6766 k = 0.6201-0.0306-0.5641 ( 3364 PWs) bands (ev): -54.1685 -54.1685 -54.1676 -54.1676 -28.5912 -28.5912 -28.5832 -28.5832 -27.8071 -27.8071 -27.7978 -27.7978 -27.6962 -27.6962 -27.6913 -27.6913 -10.6647 -10.6647 -10.5971 -10.5971 -9.7580 -9.7580 -9.5905 -9.5905 -9.3210 -9.3210 -9.2786 -9.2786 1.7947 1.7947 2.1483 2.1483 2.8108 2.8108 2.8193 2.8193 2.9878 2.9878 3.4095 3.4095 4.1813 4.1813 4.2991 4.2991 4.5972 4.5972 4.8785 4.8785 5.3771 5.3771 5.7713 5.7713 5.9156 5.9156 5.9828 5.9828 6.8841 6.8841 6.9299 6.9299 7.3033 7.3033 7.5828 7.5828 10.9026 10.9026 11.0440 11.0440 11.1157 11.1157 11.4112 11.4112 11.7456 11.7456 11.7933 11.7933 13.2003 13.2003 13.4145 13.4145 13.6612 13.6612 k = 0.6131-0.0153-0.5641 ( 3362 PWs) bands (ev): -54.1685 -54.1685 -54.1675 -54.1675 -28.5915 -28.5915 -28.5829 -28.5829 -27.8075 -27.8075 -27.7975 -27.7975 -27.6964 -27.6964 -27.6909 -27.6909 -10.6688 -10.6688 -10.5956 -10.5956 -9.7685 -9.7685 -9.5775 -9.5775 -9.3207 -9.3207 -9.2775 -9.2775 1.7557 1.7557 2.1698 2.1698 2.7998 2.7998 2.8499 2.8499 3.0087 3.0087 3.4014 3.4014 4.1700 4.1700 4.2995 4.2995 4.5753 4.5753 4.8671 4.8671 5.3942 5.3942 5.8023 5.8023 5.9215 5.9215 5.9741 5.9741 6.8912 6.8912 6.9337 6.9337 7.2724 7.2724 7.5836 7.5836 10.8881 10.8881 11.0399 11.0399 11.1121 11.1121 11.4091 11.4091 11.7570 11.7570 11.7916 11.7916 13.1908 13.1908 13.4339 13.4339 13.6462 13.6462 k = 0.6060 0.0001-0.5641 ( 3360 PWs) bands (ev): -54.1685 -54.1685 -54.1675 -54.1675 -28.5918 -28.5918 -28.5826 -28.5826 -27.8079 -27.8079 -27.7972 -27.7972 -27.6966 -27.6966 -27.6905 -27.6905 -10.6728 -10.6728 -10.5950 -10.5950 -9.7786 -9.7786 -9.5638 -9.5638 -9.3204 -9.3204 -9.2768 -9.2768 1.7168 1.7168 2.1910 2.1910 2.7815 2.7815 2.8886 2.8886 3.0313 3.0313 3.3954 3.3954 4.1461 4.1461 4.3010 4.3010 4.5584 4.5584 4.8551 4.8551 5.4145 5.4145 5.8267 5.8267 5.9326 5.9326 5.9677 5.9677 6.8981 6.8981 6.9371 6.9371 7.2409 7.2409 7.5843 7.5843 10.8736 10.8736 11.0357 11.0357 11.1089 11.1089 11.4057 11.4057 11.7654 11.7654 11.7932 11.7932 13.1820 13.1820 13.4537 13.4537 13.6319 13.6319 k = 0.5989 0.0154-0.5641 ( 3368 PWs) bands (ev): -54.1686 -54.1686 -54.1674 -54.1674 -28.5921 -28.5921 -28.5823 -28.5823 -27.8083 -27.8083 -27.7969 -27.7969 -27.6968 -27.6968 -27.6901 -27.6901 -10.6765 -10.6765 -10.5951 -10.5951 -9.7881 -9.7881 -9.5497 -9.5497 -9.3201 -9.3201 -9.2765 -9.2765 1.6786 1.6786 2.2120 2.2120 2.7633 2.7633 2.9273 2.9273 3.0557 3.0557 3.3917 3.3917 4.1145 4.1145 4.2994 4.2994 4.5465 4.5465 4.8429 4.8429 5.4379 5.4379 5.8427 5.8427 5.9494 5.9494 5.9644 5.9644 6.9046 6.9046 6.9400 6.9400 7.2092 7.2092 7.5850 7.5850 10.8592 10.8592 11.0315 11.0315 11.1062 11.1062 11.4011 11.4011 11.7699 11.7699 11.7989 11.7989 13.1738 13.1738 13.4737 13.4737 13.6181 13.6181 k = 0.5919 0.0308-0.5641 ( 3372 PWs) bands (ev): -54.1686 -54.1686 -54.1674 -54.1674 -28.5923 -28.5923 -28.5821 -28.5821 -27.8087 -27.8087 -27.7966 -27.7966 -27.6970 -27.6970 -27.6898 -27.6898 -10.6800 -10.6800 -10.5958 -10.5958 -9.7971 -9.7971 -9.5352 -9.5352 -9.3198 -9.3198 -9.2766 -9.2766 1.6414 1.6414 2.2328 2.2328 2.7449 2.7449 2.9658 2.9658 3.0820 3.0820 3.3899 3.3899 4.0782 4.0782 4.2927 4.2927 4.5388 4.5388 4.8305 4.8305 5.4639 5.4639 5.8511 5.8511 5.9570 5.9570 5.9777 5.9777 6.9109 6.9109 6.9422 6.9422 7.1777 7.1777 7.5857 7.5857 10.8450 10.8450 11.0272 11.0272 11.1039 11.1039 11.3954 11.3954 11.7718 11.7718 11.8074 11.8074 13.1664 13.1664 13.4935 13.4935 13.6051 13.6051 k = 0.5848 0.0461-0.5641 ( 3378 PWs) bands (ev): -54.1687 -54.1687 -54.1674 -54.1674 -28.5926 -28.5926 -28.5818 -28.5818 -27.8090 -27.8090 -27.7963 -27.7963 -27.6972 -27.6972 -27.6894 -27.6894 -10.6832 -10.6832 -10.5970 -10.5970 -9.8056 -9.8056 -9.5206 -9.5206 -9.3195 -9.3195 -9.2771 -9.2771 1.6057 1.6057 2.2534 2.2534 2.7263 2.7263 3.0037 3.0037 3.1103 3.1103 3.3898 3.3898 4.0390 4.0390 4.2806 4.2806 4.5345 4.5345 4.8183 4.8183 5.4922 5.4922 5.8545 5.8545 5.9562 5.9562 6.0039 6.0039 6.9168 6.9168 6.9434 6.9434 7.1470 7.1470 7.5865 7.5865 10.8312 10.8312 11.0229 11.0229 11.1019 11.1019 11.3890 11.3890 11.7730 11.7730 11.8167 11.8167 13.1596 13.1596 13.5131 13.5131 13.5930 13.5930 k = 0.5777 0.0615-0.5641 ( 3374 PWs) bands (ev): -54.1687 -54.1687 -54.1673 -54.1673 -28.5928 -28.5928 -28.5816 -28.5816 -27.8093 -27.8093 -27.7961 -27.7961 -27.6974 -27.6974 -27.6891 -27.6891 -10.6862 -10.6862 -10.5984 -10.5984 -9.8134 -9.8134 -9.5060 -9.5060 -9.3192 -9.3192 -9.2780 -9.2780 1.5718 1.5718 2.2738 2.2738 2.7075 2.7075 3.0406 3.0406 3.1407 3.1407 3.3912 3.3912 3.9981 3.9981 4.2637 4.2637 4.5325 4.5325 4.8064 4.8064 5.5222 5.5222 5.8552 5.8552 5.9559 5.9559 6.0315 6.0315 6.9223 6.9223 6.9431 6.9431 7.1176 7.1176 7.5875 7.5875 10.8179 10.8179 11.0185 11.0185 11.1003 11.1003 11.3819 11.3819 11.7741 11.7741 11.8259 11.8259 13.1536 13.1536 13.5320 13.5320 13.5817 13.5817 k = 0.5707 0.0768-0.5641 ( 3376 PWs) bands (ev): -54.1687 -54.1687 -54.1673 -54.1673 -28.5931 -28.5931 -28.5814 -28.5814 -27.8096 -27.8096 -27.7959 -27.7959 -27.6975 -27.6975 -27.6888 -27.6888 -10.6889 -10.6889 -10.6001 -10.6001 -9.8207 -9.8207 -9.4916 -9.4916 -9.3188 -9.3188 -9.2794 -9.2794 1.5400 1.5400 2.2940 2.2940 2.6885 2.6885 3.0764 3.0764 3.1729 3.1729 3.3939 3.3939 3.9563 3.9563 4.2430 4.2430 4.5318 4.5318 4.7949 4.7949 5.5533 5.5533 5.8542 5.8542 5.9565 5.9565 6.0585 6.0585 6.9273 6.9273 6.9409 6.9409 7.0905 7.0905 7.5886 7.5886 10.8052 10.8052 11.0142 11.0142 11.0989 11.0989 11.3746 11.3746 11.7754 11.7754 11.8347 11.8347 13.1481 13.1481 13.5499 13.5499 13.5716 13.5716 k = 0.5636 0.0921-0.5641 ( 3376 PWs) bands (ev): -54.1688 -54.1688 -54.1673 -54.1673 -28.5933 -28.5933 -28.5812 -28.5812 -27.8099 -27.8099 -27.7957 -27.7957 -27.6977 -27.6977 -27.6886 -27.6886 -10.6914 -10.6914 -10.6020 -10.6020 -9.8273 -9.8273 -9.4775 -9.4775 -9.3186 -9.3186 -9.2812 -9.2812 1.5105 1.5105 2.3141 2.3141 2.6692 2.6692 3.1111 3.1111 3.2066 3.2066 3.3974 3.3974 3.9142 3.9142 4.2193 4.2193 4.5318 4.5318 4.7841 4.7841 5.5849 5.5849 5.8524 5.8524 5.9578 5.9578 6.0842 6.0842 6.9307 6.9307 6.9372 6.9372 7.0666 7.0666 7.5898 7.5898 10.7933 10.7933 11.0099 11.0099 11.0978 11.0978 11.3672 11.3672 11.7769 11.7769 11.8428 11.8428 13.1434 13.1434 13.5596 13.5596 13.5697 13.5697 k = 0.5565 0.1075-0.5641 ( 3376 PWs) bands (ev): -54.1688 -54.1688 -54.1672 -54.1672 -28.5935 -28.5935 -28.5810 -28.5810 -27.8102 -27.8102 -27.7955 -27.7955 -27.6978 -27.6978 -27.6883 -27.6883 -10.6936 -10.6936 -10.6038 -10.6038 -9.8333 -9.8333 -9.4640 -9.4640 -9.3183 -9.3183 -9.2835 -9.2835 1.4835 1.4835 2.3340 2.3340 2.6497 2.6497 3.1448 3.1448 3.2409 3.2409 3.4015 3.4015 3.8726 3.8726 4.1937 4.1937 4.5321 4.5321 4.7740 4.7740 5.6161 5.6161 5.8501 5.8501 5.9596 5.9596 6.1080 6.1080 6.9256 6.9256 6.9381 6.9381 7.0471 7.0471 7.5911 7.5911 10.7822 10.7822 11.0057 11.0057 11.0968 11.0968 11.3600 11.3600 11.7784 11.7784 11.8502 11.8502 13.1392 13.1392 13.5522 13.5522 13.5847 13.5847 k = 0.5495 0.1228-0.5641 ( 3372 PWs) bands (ev): -54.1688 -54.1688 -54.1672 -54.1672 -28.5936 -28.5936 -28.5809 -28.5809 -27.8104 -27.8104 -27.7953 -27.7953 -27.6979 -27.6979 -27.6881 -27.6881 -10.6955 -10.6955 -10.6057 -10.6057 -9.8386 -9.8386 -9.4511 -9.4511 -9.3180 -9.3180 -9.2860 -9.2860 1.4593 1.4593 2.3538 2.3538 2.6300 2.6300 3.1777 3.1777 3.2750 3.2750 3.4060 3.4060 3.8318 3.8318 4.1670 4.1670 4.5323 4.5323 4.7647 4.7647 5.6462 5.6462 5.8475 5.8475 5.9617 5.9617 6.1295 6.1295 6.9139 6.9139 6.9416 6.9416 7.0325 7.0325 7.5924 7.5924 10.7722 10.7722 11.0016 11.0016 11.0961 11.0961 11.3533 11.3533 11.7801 11.7801 11.8568 11.8568 13.1355 13.1355 13.5448 13.5448 13.5994 13.5994 k = 0.5424 0.1382-0.5641 ( 3376 PWs) bands (ev): -54.1688 -54.1688 -54.1672 -54.1672 -28.5938 -28.5938 -28.5807 -28.5807 -27.8106 -27.8106 -27.7952 -27.7952 -27.6980 -27.6980 -27.6879 -27.6879 -10.6972 -10.6972 -10.6074 -10.6074 -9.8432 -9.8432 -9.4391 -9.4391 -9.3178 -9.3178 -9.2889 -9.2889 1.4380 1.4380 2.3735 2.3735 2.6103 2.6103 3.2097 3.2097 3.3078 3.3078 3.4105 3.4105 3.7926 3.7926 4.1401 4.1401 4.5325 4.5325 4.7565 4.7565 5.6746 5.6746 5.8450 5.8450 5.9640 5.9640 6.1485 6.1485 6.8992 6.8992 6.9449 6.9449 7.0224 7.0224 7.5938 7.5938 10.7633 10.7633 10.9979 10.9979 11.0955 11.0955 11.3470 11.3470 11.7816 11.7816 11.8625 11.8625 13.1325 13.1325 13.5382 13.5382 13.6126 13.6126 k = 0.5353 0.1535-0.5641 ( 3374 PWs) bands (ev): -54.1689 -54.1689 -54.1672 -54.1672 -28.5939 -28.5939 -28.5806 -28.5806 -27.8108 -27.8108 -27.7950 -27.7950 -27.6981 -27.6981 -27.6878 -27.6878 -10.6987 -10.6987 -10.6089 -10.6089 -9.8472 -9.8472 -9.4281 -9.4281 -9.3176 -9.3176 -9.2920 -9.2920 1.4198 1.4198 2.3931 2.3931 2.5905 2.5905 3.2408 3.2408 3.3380 3.3380 3.4148 3.4148 3.7557 3.7557 4.1140 4.1140 4.5325 4.5325 4.7493 4.7493 5.7003 5.7003 5.8427 5.8427 5.9662 5.9662 6.1648 6.1648 6.8834 6.8834 6.9479 6.9479 7.0157 7.0157 7.5951 7.5951 10.7555 10.7555 10.9945 10.9945 11.0950 11.0950 11.3416 11.3416 11.7831 11.7831 11.8674 11.8674 13.1299 13.1299 13.5326 13.5326 13.6241 13.6241 k = 0.5283 0.1689-0.5641 ( 3364 PWs) bands (ev): -54.1689 -54.1689 -54.1672 -54.1672 -28.5940 -28.5940 -28.5805 -28.5805 -27.8109 -27.8109 -27.7949 -27.7949 -27.6981 -27.6981 -27.6876 -27.6876 -10.6999 -10.6999 -10.6102 -10.6102 -9.8504 -9.8504 -9.4185 -9.4185 -9.3174 -9.3174 -9.2951 -9.2951 1.4047 1.4047 2.4128 2.4128 2.5707 2.5707 3.2706 3.2706 3.3642 3.3642 3.4186 3.4186 3.7222 3.7222 4.0899 4.0899 4.5325 4.5325 4.7433 4.7433 5.7227 5.7227 5.8406 5.8406 5.9683 5.9683 6.1784 6.1784 6.8681 6.8681 6.9503 6.9503 7.0114 7.0114 7.5963 7.5963 10.7491 10.7491 10.9916 10.9916 11.0947 11.0947 11.3369 11.3369 11.7844 11.7844 11.8715 11.8715 13.1278 13.1278 13.5281 13.5281 13.6338 13.6338 k = 0.5212 0.1842-0.5641 ( 3368 PWs) bands (ev): -54.1689 -54.1689 -54.1672 -54.1672 -28.5941 -28.5941 -28.5804 -28.5804 -27.8110 -27.8110 -27.7949 -27.7949 -27.6982 -27.6982 -27.6875 -27.6875 -10.7008 -10.7008 -10.6113 -10.6113 -9.8529 -9.8529 -9.4104 -9.4104 -9.3172 -9.3172 -9.2981 -9.2981 1.3929 1.3929 2.4323 2.4323 2.5508 2.5508 3.2982 3.2982 3.3848 3.3848 3.4219 3.4219 3.6933 3.6933 4.0690 4.0690 4.5325 4.5325 4.7386 4.7386 5.7410 5.7410 5.8389 5.8389 5.9700 5.9700 6.1890 6.1890 6.8549 6.8549 6.9522 6.9522 7.0087 7.0087 7.5973 7.5973 10.7440 10.7440 10.9892 10.9892 11.0944 11.0944 11.3332 11.3332 11.7854 11.7854 11.8746 11.8746 13.1262 13.1262 13.5245 13.5245 13.6414 13.6414 k = 0.5141 0.1996-0.5641 ( 3364 PWs) bands (ev): -54.1689 -54.1689 -54.1671 -54.1671 -28.5941 -28.5941 -28.5804 -28.5804 -27.8111 -27.8111 -27.7948 -27.7948 -27.6982 -27.6982 -27.6875 -27.6875 -10.7015 -10.7015 -10.6121 -10.6121 -9.8547 -9.8547 -9.4042 -9.4042 -9.3171 -9.3171 -9.3006 -9.3006 1.3844 1.3844 2.4518 2.4518 2.5311 2.5311 3.3220 3.3220 3.3985 3.3985 3.4245 3.4245 3.6709 3.6709 4.0527 4.0527 4.5324 4.5324 4.7352 4.7352 5.7545 5.7545 5.8376 5.8376 5.9713 5.9713 6.1966 6.1966 6.8448 6.8448 6.9536 6.9536 7.0070 7.0070 7.5980 7.5980 10.7403 10.7403 10.9874 10.9874 11.0943 11.0943 11.3306 11.3306 11.7862 11.7862 11.8769 11.8769 13.1251 13.1251 13.5220 13.5220 13.6470 13.6470 k = 0.5071 0.2149-0.5641 ( 3360 PWs) bands (ev): -54.1689 -54.1689 -54.1671 -54.1671 -28.5942 -28.5942 -28.5803 -28.5803 -27.8111 -27.8111 -27.7948 -27.7948 -27.6982 -27.6982 -27.6874 -27.6874 -10.7019 -10.7019 -10.6126 -10.6126 -9.8558 -9.8558 -9.4003 -9.4003 -9.3170 -9.3170 -9.3022 -9.3022 1.3793 1.3793 2.4712 2.4712 2.5116 2.5116 3.3391 3.3391 3.4052 3.4052 3.4262 3.4262 3.6566 3.6566 4.0422 4.0422 4.5323 4.5323 4.7331 4.7331 5.7629 5.7629 5.8368 5.8368 5.9721 5.9721 6.2012 6.2012 6.8384 6.8384 6.9545 6.9545 7.0061 7.0061 7.5985 7.5985 10.7381 10.7381 10.9864 10.9864 11.0942 11.0942 11.3289 11.3289 11.7866 11.7866 11.8783 11.8783 13.1245 13.1245 13.5204 13.5204 13.6504 13.6504 k = 0.5000 0.2302-0.5641 ( 3360 PWs) bands (ev): -54.1689 -54.1689 -54.1671 -54.1671 -28.5942 -28.5942 -28.5803 -28.5803 -27.8111 -27.8111 -27.7948 -27.7948 -27.6982 -27.6982 -27.6874 -27.6874 -10.7020 -10.7020 -10.6127 -10.6127 -9.8562 -9.8562 -9.3990 -9.3990 -9.3170 -9.3170 -9.3028 -9.3028 1.3776 1.3776 2.4870 2.4870 2.4958 2.4958 3.3456 3.3456 3.4069 3.4069 3.4268 3.4268 3.6516 3.6516 4.0386 4.0386 4.5323 4.5323 4.7324 4.7324 5.7657 5.7657 5.8365 5.8365 5.9723 5.9723 6.2028 6.2028 6.8362 6.8362 6.9548 6.9548 7.0058 7.0058 7.5986 7.5986 10.7373 10.7373 10.9860 10.9860 11.0941 11.0941 11.3284 11.3284 11.7868 11.7868 11.8787 11.8787 13.1242 13.1242 13.5199 13.5199 13.6515 13.6515 k = 0.5000 0.2302-0.5641 ( 3360 PWs) bands (ev): -54.1689 -54.1689 -54.1671 -54.1671 -28.5942 -28.5942 -28.5803 -28.5803 -27.8111 -27.8111 -27.7948 -27.7948 -27.6982 -27.6982 -27.6874 -27.6874 -10.7020 -10.7020 -10.6127 -10.6127 -9.8562 -9.8562 -9.3990 -9.3990 -9.3170 -9.3170 -9.3028 -9.3028 1.3776 1.3776 2.4870 2.4870 2.4958 2.4958 3.3456 3.3456 3.4069 3.4069 3.4268 3.4268 3.6516 3.6516 4.0386 4.0386 4.5323 4.5323 4.7324 4.7324 5.7657 5.7657 5.8365 5.8365 5.9723 5.9723 6.2028 6.2028 6.8362 6.8362 6.9548 6.9548 7.0058 7.0058 7.5986 7.5986 10.7373 10.7373 10.9860 10.9860 11.0941 11.0941 11.3284 11.3284 11.7868 11.7868 11.8787 11.8787 13.1242 13.1242 13.5199 13.5199 13.6515 13.6515 k = 0.5109 0.2352-0.5524 ( 3364 PWs) bands (ev): -54.1689 -54.1689 -54.1671 -54.1671 -28.5942 -28.5942 -28.5803 -28.5803 -27.8111 -27.8111 -27.7948 -27.7948 -27.6982 -27.6982 -27.6874 -27.6874 -10.7018 -10.7018 -10.6132 -10.6132 -9.8558 -9.8558 -9.3989 -9.3989 -9.3180 -9.3180 -9.3020 -9.3020 1.3779 1.3779 2.4876 2.4876 2.4947 2.4947 3.3459 3.3459 3.4076 3.4076 3.4238 3.4238 3.6518 3.6518 4.0382 4.0382 4.5353 4.5353 4.7328 4.7328 5.7659 5.7659 5.8356 5.8356 5.9745 5.9745 6.2023 6.2023 6.8293 6.8293 6.9416 6.9416 7.0238 7.0238 7.5973 7.5973 10.7381 10.7381 10.9873 10.9873 11.0948 11.0948 11.3286 11.3286 11.7866 11.7866 11.8786 11.8786 13.1245 13.1245 13.5205 13.5205 13.6513 13.6513 k = 0.5217 0.2403-0.5408 ( 3370 PWs) bands (ev): -54.1689 -54.1689 -54.1672 -54.1672 -28.5941 -28.5941 -28.5804 -28.5804 -27.8110 -27.8110 -27.7948 -27.7948 -27.6982 -27.6982 -27.6875 -27.6875 -10.7013 -10.7013 -10.6146 -10.6146 -9.8546 -9.8546 -9.3985 -9.3985 -9.3205 -9.3205 -9.3000 -9.3000 1.3790 1.3790 2.4895 2.4895 2.4912 2.4912 3.3469 3.3469 3.4079 3.4079 3.4167 3.4167 3.6524 3.6524 4.0373 4.0373 4.5440 4.5440 4.7340 4.7340 5.7663 5.7663 5.8331 5.8331 5.9809 5.9809 6.2008 6.2008 6.8080 6.8080 6.9244 6.9244 7.0561 7.0561 7.5933 7.5933 10.7403 10.7403 10.9911 10.9911 11.0967 11.0967 11.3292 11.3292 11.7859 11.7859 11.8783 11.8783 13.1251 13.1251 13.5223 13.5223 13.6506 13.6506 k = 0.5326 0.2453-0.5291 ( 3368 PWs) bands (ev): -54.1689 -54.1689 -54.1672 -54.1672 -28.5940 -28.5940 -28.5805 -28.5805 -27.8109 -27.8109 -27.7949 -27.7949 -27.6981 -27.6981 -27.6876 -27.6876 -10.7005 -10.7005 -10.6170 -10.6170 -9.8526 -9.8526 -9.3978 -9.3978 -9.3238 -9.3238 -9.2976 -9.2976 1.3807 1.3807 2.4854 2.4854 2.4927 2.4927 3.3485 3.3485 3.3970 3.3970 3.4170 3.4170 3.6531 3.6531 4.0356 4.0356 4.5583 4.5583 4.7361 4.7361 5.7671 5.7671 5.8293 5.8293 5.9910 5.9910 6.1981 6.1981 6.7744 6.7744 6.9139 6.9139 7.0902 7.0902 7.5866 7.5866 10.7440 10.7440 10.9974 10.9974 11.0999 11.0999 11.3302 11.3302 11.7848 11.7848 11.8777 11.8777 13.1263 13.1263 13.5253 13.5253 13.6495 13.6495 k = 0.5435 0.2503-0.5174 ( 3370 PWs) bands (ev): -54.1689 -54.1689 -54.1672 -54.1672 -28.5939 -28.5939 -28.5806 -28.5806 -27.8108 -27.8108 -27.7950 -27.7950 -27.6981 -27.6981 -27.6877 -27.6877 -10.6993 -10.6993 -10.6203 -10.6203 -9.8498 -9.8498 -9.3969 -9.3969 -9.3274 -9.3274 -9.2952 -9.2952 1.3832 1.3832 2.4776 2.4776 2.4972 2.4972 3.3500 3.3500 3.3778 3.3778 3.4227 3.4227 3.6539 3.6539 4.0333 4.0333 4.5775 4.5775 4.7389 4.7389 5.7683 5.7683 5.8249 5.8249 6.0042 6.0042 6.1941 6.1941 6.7332 6.7332 6.9083 6.9083 7.1235 7.1235 7.5774 7.5774 10.7491 10.7491 11.0060 11.0060 11.1043 11.1043 11.3316 11.3316 11.7833 11.7833 11.8769 11.8769 13.1279 13.1279 13.5295 13.5295 13.6480 13.6480 k = 0.5544 0.2553-0.5057 ( 3375 PWs) bands (ev): -54.1688 -54.1688 -54.1672 -54.1672 -28.5938 -28.5938 -28.5807 -28.5807 -27.8106 -27.8106 -27.7951 -27.7951 -27.6980 -27.6980 -27.6878 -27.6878 -10.6978 -10.6978 -10.6246 -10.6246 -9.8462 -9.8462 -9.3958 -9.3958 -9.3312 -9.3312 -9.2930 -9.2930 1.3864 1.3864 2.4676 2.4676 2.5028 2.5028 3.3454 3.3454 3.3602 3.3602 3.4305 3.4305 3.6545 3.6545 4.0305 4.0305 4.6012 4.6012 4.7426 4.7426 5.7699 5.7699 5.8204 5.8204 6.0201 6.0201 6.1883 6.1883 6.6883 6.6883 6.9053 6.9053 7.1551 7.1551 7.5657 7.5657 10.7556 10.7556 11.0170 11.0170 11.1098 11.1098 11.3334 11.3334 11.7813 11.7813 11.8757 11.8757 13.1301 13.1301 13.5349 13.5349 13.6461 13.6461 k = 0.5652 0.2603-0.4941 ( 3370 PWs) bands (ev): -54.1688 -54.1688 -54.1672 -54.1672 -28.5936 -28.5936 -28.5808 -28.5808 -27.8104 -27.8104 -27.7953 -27.7953 -27.6979 -27.6979 -27.6880 -27.6880 -10.6960 -10.6960 -10.6298 -10.6298 -9.8418 -9.8418 -9.3944 -9.3944 -9.3351 -9.3351 -9.2910 -9.2910 1.3903 1.3903 2.4557 2.4557 2.5096 2.5096 3.3206 3.3206 3.3594 3.3594 3.4399 3.4399 3.6548 3.6548 4.0271 4.0271 4.6285 4.6285 4.7471 4.7471 5.7718 5.7718 5.8161 5.8161 6.0381 6.0381 6.1803 6.1803 6.6422 6.6422 6.9034 6.9034 7.1845 7.1845 7.5517 7.5517 10.7634 10.7634 11.0301 11.0301 11.1165 11.1165 11.3356 11.3356 11.7788 11.7788 11.8742 11.8742 13.1327 13.1327 13.5414 13.5414 13.6439 13.6439 k = 0.5761 0.2653-0.4824 ( 3381 PWs) bands (ev): -54.1688 -54.1688 -54.1673 -54.1673 -28.5934 -28.5934 -28.5810 -28.5810 -27.8101 -27.8101 -27.7955 -27.7955 -27.6977 -27.6977 -27.6883 -27.6883 -10.6938 -10.6938 -10.6360 -10.6360 -9.8367 -9.8367 -9.3927 -9.3927 -9.3389 -9.3389 -9.2893 -9.2893 1.3949 1.3949 2.4419 2.4419 2.5175 2.5175 3.2893 3.2893 3.3622 3.3622 3.4509 3.4509 3.6547 3.6547 4.0233 4.0233 4.6588 4.6588 4.7525 4.7525 5.7741 5.7741 5.8124 5.8124 6.0580 6.0580 6.1695 6.1695 6.5967 6.5967 6.9020 6.9020 7.2117 7.2117 7.5355 7.5355 10.7725 10.7725 11.0452 11.0452 11.1241 11.1241 11.3383 11.3383 11.7758 11.7758 11.8723 11.8723 13.1359 13.1359 13.5491 13.5491 13.6413 13.6413 k = 0.5870 0.2703-0.4707 ( 3382 PWs) bands (ev): -54.1688 -54.1688 -54.1673 -54.1673 -28.5932 -28.5932 -28.5812 -28.5812 -27.8098 -27.8098 -27.7957 -27.7957 -27.6976 -27.6976 -27.6885 -27.6885 -10.6913 -10.6913 -10.6430 -10.6430 -9.8309 -9.8309 -9.3908 -9.3908 -9.3426 -9.3426 -9.2881 -9.2881 1.4001 1.4001 2.4265 2.4265 2.5265 2.5265 3.2552 3.2552 3.3654 3.3654 3.4631 3.4631 3.6542 3.6542 4.0191 4.0191 4.6916 4.6916 4.7588 4.7588 5.7764 5.7764 5.8100 5.8100 6.0794 6.0794 6.1549 6.1549 6.5536 6.5536 6.9005 6.9005 7.2367 7.2367 7.5174 7.5174 10.7827 10.7827 11.0621 11.0621 11.1327 11.1327 11.3413 11.3413 11.7722 11.7722 11.8698 11.8698 13.1396 13.1396 13.5579 13.5579 13.6385 13.6385 k = 0.5978 0.2753-0.4590 ( 3380 PWs) bands (ev): -54.1687 -54.1687 -54.1673 -54.1673 -28.5929 -28.5929 -28.5814 -28.5814 -27.8094 -27.8094 -27.7960 -27.7960 -27.6974 -27.6974 -27.6888 -27.6888 -10.6885 -10.6885 -10.6511 -10.6511 -9.8243 -9.8243 -9.3887 -9.3887 -9.3461 -9.3461 -9.2871 -9.2871 1.4061 1.4061 2.4095 2.4095 2.5366 2.5366 3.2191 3.2191 3.3685 3.3685 3.4765 3.4765 3.6531 3.6531 4.0146 4.0146 4.7261 4.7261 4.7659 4.7659 5.7779 5.7779 5.8096 5.8096 6.1016 6.1016 6.1361 6.1361 6.5145 6.5145 6.8987 6.8987 7.2594 7.2594 7.4974 7.4974 10.7941 10.7941 11.0805 11.0805 11.1422 11.1422 11.3448 11.3448 11.7681 11.7681 11.8668 11.8668 13.1439 13.1439 13.5678 13.5678 13.6355 13.6355 k = 0.6087 0.2803-0.4473 ( 3380 PWs) bands (ev): -54.1687 -54.1687 -54.1674 -54.1674 -28.5926 -28.5926 -28.5817 -28.5817 -27.8090 -27.8090 -27.7962 -27.7962 -27.6972 -27.6972 -27.6891 -27.6891 -10.6853 -10.6853 -10.6600 -10.6600 -9.8171 -9.8171 -9.3863 -9.3863 -9.3494 -9.3494 -9.2866 -9.2866 1.4127 1.4127 2.3911 2.3911 2.5475 2.5475 3.1816 3.1816 3.3713 3.3713 3.4908 3.4908 3.6515 3.6515 4.0100 4.0100 4.7618 4.7618 4.7741 4.7741 5.7780 5.7780 5.8121 5.8121 6.1069 6.1069 6.1300 6.1300 6.4807 6.4807 6.8964 6.8964 7.2801 7.2801 7.4759 7.4759 10.8064 10.8064 11.1002 11.1002 11.1524 11.1524 11.3488 11.3488 11.7635 11.7635 11.8632 11.8632 13.1487 13.1487 13.5787 13.5787 13.6323 13.6323 k = 0.6196 0.2853-0.4357 ( 3380 PWs) bands (ev): -54.1687 -54.1687 -54.1674 -54.1674 -28.5923 -28.5923 -28.5820 -28.5820 -27.8086 -27.8086 -27.7965 -27.7965 -27.6970 -27.6970 -27.6895 -27.6895 -10.6819 -10.6819 -10.6698 -10.6698 -9.8092 -9.8092 -9.3837 -9.3837 -9.3524 -9.3524 -9.2866 -9.2866 1.4201 1.4201 2.3714 2.3714 2.5593 2.5593 3.1431 3.1431 3.3737 3.3737 3.5057 3.5057 3.6491 3.6491 4.0055 4.0055 4.7829 4.7829 4.7985 4.7985 5.7765 5.7765 5.8179 5.8179 6.0776 6.0776 6.1538 6.1538 6.4532 6.4532 6.8933 6.8933 7.2989 7.2989 7.4531 7.4531 10.8196 10.8196 11.1208 11.1208 11.1635 11.1635 11.3531 11.3531 11.7582 11.7582 11.8588 11.8588 13.1541 13.1541 13.5905 13.5905 13.6292 13.6292 k = 0.6304 0.2903-0.4240 ( 3388 PWs) bands (ev): -54.1686 -54.1686 -54.1675 -54.1675 -28.5920 -28.5920 -28.5822 -28.5822 -27.8082 -27.8082 -27.7968 -27.7968 -27.6967 -27.6967 -27.6898 -27.6898 -10.6806 -10.6806 -10.6780 -10.6780 -9.8007 -9.8007 -9.3808 -9.3808 -9.3551 -9.3551 -9.2869 -9.2869 1.4281 1.4281 2.3506 2.3506 2.5719 2.5719 3.1041 3.1041 3.3755 3.3755 3.5209 3.5209 3.6460 3.6460 4.0013 4.0013 4.7929 4.7929 4.8351 4.8351 5.7739 5.7739 5.8264 5.8264 6.0412 6.0412 6.1801 6.1801 6.4319 6.4319 6.8893 6.8893 7.3161 7.3161 7.4291 7.4291 10.8336 10.8336 11.1419 11.1419 11.1755 11.1755 11.3579 11.3579 11.7523 11.7523 11.8535 11.8535 13.1599 13.1599 13.6031 13.6031 13.6262 13.6262 k = 0.6413 0.2953-0.4123 ( 3381 PWs) bands (ev): -54.1686 -54.1686 -54.1675 -54.1675 -28.5916 -28.5916 -28.5826 -28.5826 -27.8077 -27.8077 -27.7972 -27.7972 -27.6965 -27.6965 -27.6902 -27.6902 -10.6922 -10.6922 -10.6740 -10.6740 -9.7916 -9.7916 -9.3778 -9.3778 -9.3574 -9.3574 -9.2877 -9.2877 1.4368 1.4368 2.3288 2.3288 2.5851 2.5851 3.0648 3.0648 3.3764 3.3764 3.5360 3.5360 3.6420 3.6420 3.9978 3.9978 4.8039 4.8039 4.8716 4.8716 5.7706 5.7706 5.8374 5.8374 6.0002 6.0002 6.2076 6.2076 6.4165 6.4165 6.8841 6.8841 7.3317 7.3317 7.4043 7.4043 10.8483 10.8483 11.1627 11.1627 11.1889 11.1889 11.3631 11.3631 11.7457 11.7457 11.8474 11.8474 13.1662 13.1662 13.6153 13.6153 13.6245 13.6245 k = 0.6413 0.2953-0.4123 ( 3381 PWs) bands (ev): -54.1686 -54.1686 -54.1675 -54.1675 -28.5916 -28.5916 -28.5826 -28.5826 -27.8077 -27.8077 -27.7972 -27.7972 -27.6965 -27.6965 -27.6902 -27.6902 -10.6922 -10.6922 -10.6740 -10.6740 -9.7916 -9.7916 -9.3778 -9.3778 -9.3574 -9.3574 -9.2877 -9.2877 1.4368 1.4368 2.3288 2.3288 2.5851 2.5851 3.0648 3.0648 3.3764 3.3764 3.5360 3.5360 3.6420 3.6420 3.9978 3.9978 4.8039 4.8039 4.8716 4.8716 5.7706 5.7706 5.8374 5.8374 6.0002 6.0002 6.2076 6.2076 6.4165 6.4165 6.8841 6.8841 7.3317 7.3317 7.4043 7.4043 10.8483 10.8483 11.1627 11.1627 11.1889 11.1889 11.3631 11.3631 11.7457 11.7457 11.8474 11.8474 13.1662 13.1662 13.6153 13.6153 13.6245 13.6245 k = 0.6372 0.2934-0.3957 ( 3381 PWs) bands (ev): -54.1685 -54.1685 -54.1675 -54.1675 -28.5914 -28.5914 -28.5827 -28.5827 -27.8075 -27.8075 -27.7974 -27.7974 -27.6962 -27.6962 -27.6905 -27.6905 -10.7024 -10.7024 -10.6760 -10.6760 -9.7810 -9.7810 -9.3748 -9.3748 -9.3593 -9.3593 -9.2843 -9.2843 1.4421 1.4421 2.3126 2.3126 2.5973 2.5973 3.0362 3.0362 3.3690 3.3690 3.5354 3.5354 3.6342 3.6342 4.0022 4.0022 4.7999 4.7999 4.9151 4.9151 5.7954 5.7954 5.8432 5.8432 5.9714 5.9714 6.2123 6.2123 6.4071 6.4071 6.8901 6.8901 7.3305 7.3305 7.3787 7.3787 10.8558 10.8558 11.1752 11.1752 11.1986 11.1986 11.3690 11.3690 11.7447 11.7447 11.8449 11.8449 13.1746 13.1746 13.6187 13.6187 13.6321 13.6321 k = 0.6330 0.2915-0.3791 ( 3379 PWs) bands (ev): -54.1685 -54.1685 -54.1676 -54.1676 -28.5912 -28.5912 -28.5829 -28.5829 -27.8072 -27.8072 -27.7976 -27.7976 -27.6960 -27.6960 -27.6907 -27.6907 -10.7129 -10.7129 -10.6802 -10.6802 -9.7681 -9.7681 -9.3719 -9.3719 -9.3605 -9.3605 -9.2810 -9.2810 1.4483 1.4483 2.2937 2.2937 2.6089 2.6089 3.0067 3.0067 3.3601 3.3601 3.5301 3.5301 3.6314 3.6314 4.0032 4.0032 4.8024 4.8024 4.9578 4.9578 5.8010 5.8010 5.8676 5.8676 5.9402 5.9402 6.2203 6.2203 6.4015 6.4015 6.8974 6.8974 7.3279 7.3279 7.3520 7.3520 10.8650 10.8650 11.1856 11.1856 11.2110 11.2110 11.3755 11.3755 11.7431 11.7431 11.8416 11.8416 13.1842 13.1842 13.6170 13.6170 13.6442 13.6442 k = 0.6288 0.2896-0.3625 ( 3383 PWs) bands (ev): -54.1685 -54.1685 -54.1676 -54.1676 -28.5910 -28.5910 -28.5831 -28.5831 -27.8069 -27.8069 -27.7978 -27.7978 -27.6958 -27.6958 -27.6909 -27.6909 -10.7235 -10.7235 -10.6864 -10.6864 -9.7530 -9.7530 -9.3689 -9.3689 -9.3609 -9.3609 -9.2778 -9.2778 1.4553 1.4553 2.2725 2.2725 2.6196 2.6196 2.9775 2.9775 3.3489 3.3489 3.5205 3.5205 3.6331 3.6331 4.0009 4.0009 4.8110 4.8110 4.9993 4.9993 5.7949 5.7949 5.9007 5.9007 5.9093 5.9093 6.2317 6.2317 6.3995 6.3995 6.9058 6.9058 7.3191 7.3191 7.3294 7.3294 10.8757 10.8757 11.1945 11.1945 11.2252 11.2252 11.3826 11.3826 11.7409 11.7409 11.8377 11.8377 13.1951 13.1951 13.6151 13.6151 13.6558 13.6558 k = 0.6247 0.2877-0.3459 ( 3387 PWs) bands (ev): -54.1684 -54.1684 -54.1676 -54.1676 -28.5908 -28.5908 -28.5832 -28.5832 -27.8067 -27.8067 -27.7980 -27.7980 -27.6956 -27.6956 -27.6911 -27.6911 -10.7342 -10.7342 -10.6943 -10.6943 -9.7360 -9.7360 -9.3662 -9.3662 -9.3605 -9.3605 -9.2748 -9.2748 1.4632 1.4632 2.2490 2.2490 2.6295 2.6295 2.9492 2.9492 3.3353 3.3353 3.5069 3.5069 3.6391 3.6391 3.9956 3.9956 4.8253 4.8253 5.0391 5.0391 5.7845 5.7845 5.8722 5.8722 5.9419 5.9419 6.2465 6.2465 6.4006 6.4006 6.9151 6.9151 7.2924 7.2924 7.3232 7.3232 10.8880 10.8880 11.2029 11.2029 11.2401 11.2401 11.3903 11.3903 11.7382 11.7382 11.8329 11.8329 13.2071 13.2071 13.6133 13.6133 13.6665 13.6665 k = 0.6205 0.2857-0.3294 ( 3389 PWs) bands (ev): -54.1684 -54.1684 -54.1677 -54.1677 -28.5906 -28.5906 -28.5834 -28.5834 -27.8064 -27.8064 -27.7981 -27.7981 -27.6954 -27.6954 -27.6913 -27.6913 -10.7451 -10.7451 -10.7038 -10.7038 -9.7174 -9.7174 -9.3639 -9.3639 -9.3590 -9.3590 -9.2719 -9.2719 1.4720 1.4720 2.2236 2.2236 2.6383 2.6383 2.9225 2.9225 3.3190 3.3190 3.4895 3.4895 3.6488 3.6488 3.9880 3.9880 4.8446 4.8446 5.0768 5.0768 5.7716 5.7716 5.8374 5.8374 5.9813 5.9813 6.2646 6.2646 6.4044 6.4044 6.9251 6.9251 7.2629 7.2629 7.3188 7.3188 10.9017 10.9017 11.2112 11.2112 11.2551 11.2551 11.3988 11.3988 11.7349 11.7349 11.8274 11.8274 13.2202 13.2202 13.6117 13.6117 13.6764 13.6764 k = 0.6164 0.2838-0.3128 ( 3387 PWs) bands (ev): -54.1684 -54.1684 -54.1677 -54.1677 -28.5904 -28.5904 -28.5835 -28.5835 -27.8062 -27.8062 -27.7983 -27.7983 -27.6952 -27.6952 -27.6914 -27.6914 -10.7561 -10.7561 -10.7144 -10.7144 -9.6975 -9.6975 -9.3618 -9.3618 -9.3565 -9.3565 -9.2691 -9.2691 1.4816 1.4816 2.1966 2.1966 2.6461 2.6461 2.8976 2.8976 3.3004 3.3004 3.4687 3.4687 3.6613 3.6613 3.9786 3.9786 4.8682 4.8682 5.1122 5.1122 5.7570 5.7570 5.8025 5.8025 6.0207 6.0207 6.2860 6.2860 6.4105 6.4105 6.9356 6.9356 7.2329 7.2329 7.3144 7.3144 10.9168 10.9168 11.2197 11.2197 11.2699 11.2699 11.4079 11.4079 11.7311 11.7311 11.8210 11.8210 13.2344 13.2344 13.6103 13.6103 13.6854 13.6854 k = 0.6122 0.2819-0.2962 ( 3387 PWs) bands (ev): -54.1684 -54.1684 -54.1677 -54.1677 -28.5902 -28.5902 -28.5836 -28.5836 -27.8060 -27.8060 -27.7984 -27.7984 -27.6950 -27.6950 -27.6916 -27.6916 -10.7671 -10.7671 -10.7261 -10.7261 -9.6766 -9.6766 -9.3598 -9.3598 -9.3535 -9.3535 -9.2666 -9.2666 1.4919 1.4919 2.1684 2.1684 2.6528 2.6528 2.8746 2.8746 3.2797 3.2797 3.4446 3.4446 3.6761 3.6761 3.9684 3.9684 4.8951 4.8951 5.1451 5.1451 5.7408 5.7408 5.7682 5.7682 6.0595 6.0595 6.3108 6.3108 6.4183 6.4183 6.9466 6.9466 7.2030 7.2030 7.3102 7.3102 10.9331 10.9331 11.2286 11.2286 11.2841 11.2841 11.4177 11.4177 11.7267 11.7267 11.8138 11.8138 13.2497 13.2497 13.6091 13.6091 13.6936 13.6936 k = 0.6081 0.2800-0.2796 ( 3390 PWs) bands (ev): -54.1684 -54.1684 -54.1677 -54.1677 -28.5900 -28.5900 -28.5837 -28.5837 -27.8057 -27.8057 -27.7985 -27.7985 -27.6948 -27.6948 -27.6918 -27.6918 -10.7782 -10.7782 -10.7385 -10.7385 -9.6549 -9.6549 -9.3574 -9.3574 -9.3502 -9.3502 -9.2641 -9.2641 1.5030 1.5030 2.1393 2.1393 2.6583 2.6583 2.8537 2.8537 3.2572 3.2572 3.4176 3.4176 3.6926 3.6926 3.9579 3.9579 4.9246 4.9246 5.1752 5.1752 5.7226 5.7226 5.7356 5.7356 6.0971 6.0971 6.3388 6.3388 6.4274 6.4274 6.9581 6.9581 7.1736 7.1736 7.3063 7.3063 10.9505 10.9505 11.2378 11.2378 11.2977 11.2977 11.4280 11.4280 11.7218 11.7218 11.8058 11.8058 13.2658 13.2658 13.6081 13.6081 13.7011 13.7011 k = 0.6039 0.2781-0.2630 ( 3391 PWs) bands (ev): -54.1683 -54.1683 -54.1678 -54.1678 -28.5899 -28.5899 -28.5838 -28.5838 -27.8055 -27.8055 -27.7986 -27.7986 -27.6947 -27.6947 -27.6919 -27.6919 -10.7893 -10.7893 -10.7516 -10.7516 -9.6326 -9.6326 -9.3545 -9.3545 -9.3467 -9.3467 -9.2619 -9.2619 1.5148 1.5148 2.1098 2.1098 2.6626 2.6626 2.8346 2.8346 3.2331 3.2331 3.3877 3.3877 3.7102 3.7102 3.9478 3.9478 4.9559 4.9559 5.2027 5.2027 5.6979 5.6979 5.7097 5.7097 6.1330 6.1330 6.3701 6.3701 6.4369 6.4369 6.9701 6.9701 7.1451 7.1451 7.3031 7.3031 10.9690 10.9690 11.2475 11.2475 11.3106 11.3106 11.4389 11.4389 11.7164 11.7164 11.7971 11.7971 13.2827 13.2827 13.6073 13.6073 13.7079 13.7079 k = 0.5998 0.2762-0.2464 ( 3396 PWs) bands (ev): -54.1683 -54.1683 -54.1678 -54.1678 -28.5897 -28.5897 -28.5839 -28.5839 -27.8053 -27.8053 -27.7987 -27.7987 -27.6945 -27.6945 -27.6921 -27.6921 -10.8003 -10.8003 -10.7650 -10.7650 -9.6100 -9.6100 -9.3512 -9.3512 -9.3432 -9.3432 -9.2598 -9.2598 1.5273 1.5273 2.0802 2.0802 2.6659 2.6659 2.8174 2.8174 3.2078 3.2078 3.3554 3.3554 3.7284 3.7284 3.9385 3.9385 4.9884 4.9884 5.2274 5.2274 5.6680 5.6680 5.6897 5.6897 6.1667 6.1667 6.4042 6.4042 6.4464 6.4464 6.9828 6.9828 7.1180 7.1180 7.3007 7.3007 10.9884 10.9884 11.2575 11.2575 11.3227 11.3227 11.4502 11.4502 11.7105 11.7105 11.7876 11.7876 13.3004 13.3004 13.6066 13.6066 13.7141 13.7141 k = 0.5956 0.2743-0.2298 ( 3397 PWs) bands (ev): -54.1683 -54.1683 -54.1678 -54.1678 -28.5895 -28.5895 -28.5840 -28.5840 -27.8050 -27.8050 -27.7987 -27.7987 -27.6944 -27.6944 -27.6922 -27.6922 -10.8113 -10.8113 -10.7786 -10.7786 -9.5873 -9.5873 -9.3475 -9.3475 -9.3396 -9.3396 -9.2579 -9.2579 1.5404 1.5404 2.0510 2.0510 2.6680 2.6680 2.8018 2.8018 3.1814 3.1814 3.3208 3.3208 3.7470 3.7470 3.9304 3.9304 5.0215 5.0215 5.2496 5.2496 5.6388 5.6388 5.6703 5.6703 6.1978 6.1978 6.4402 6.4402 6.4557 6.4557 6.9963 6.9963 7.0927 7.0927 7.2993 7.2993 11.0087 11.0087 11.2679 11.2679 11.3342 11.3342 11.4618 11.4618 11.7042 11.7042 11.7775 11.7775 13.3187 13.3187 13.6062 13.6062 13.7197 13.7197 k = 0.5914 0.2723-0.2132 ( 3394 PWs) bands (ev): -54.1683 -54.1683 -54.1678 -54.1678 -28.5894 -28.5894 -28.5841 -28.5841 -27.8048 -27.8048 -27.7988 -27.7988 -27.6943 -27.6943 -27.6924 -27.6924 -10.8223 -10.8223 -10.7923 -10.7923 -9.5647 -9.5647 -9.3435 -9.3435 -9.3359 -9.3359 -9.2562 -9.2562 1.5541 1.5541 2.0226 2.0226 2.6692 2.6692 2.7876 2.7876 3.1542 3.1542 3.2842 3.2842 3.7655 3.7655 3.9236 3.9236 5.0547 5.0547 5.2694 5.2694 5.6112 5.6112 5.6509 5.6509 6.2262 6.2262 6.4594 6.4594 6.4824 6.4824 7.0110 7.0110 7.0695 7.0695 7.2989 7.2989 11.0298 11.0298 11.2786 11.2786 11.3449 11.3449 11.4734 11.4734 11.6975 11.6975 11.7668 11.7668 13.3375 13.3375 13.6061 13.6061 13.7247 13.7247 k = 0.5873 0.2704-0.1966 ( 3392 PWs) bands (ev): -54.1683 -54.1683 -54.1678 -54.1678 -28.5892 -28.5892 -28.5842 -28.5842 -27.8046 -27.8046 -27.7988 -27.7988 -27.6942 -27.6942 -27.6925 -27.6925 -10.8331 -10.8331 -10.8060 -10.8060 -9.5422 -9.5422 -9.3391 -9.3391 -9.3322 -9.3322 -9.2547 -9.2547 1.5683 1.5683 1.9951 1.9951 2.6695 2.6695 2.7748 2.7748 3.1262 3.1262 3.2460 3.2460 3.7838 3.7838 3.9183 3.9183 5.0876 5.0876 5.2869 5.2869 5.5857 5.5857 5.6316 5.6316 6.2515 6.2515 6.4639 6.4639 6.5232 6.5232 7.0268 7.0268 7.0492 7.0492 7.2996 7.2996 11.0516 11.0516 11.2897 11.2897 11.3551 11.3551 11.4848 11.4848 11.6905 11.6905 11.7557 11.7557 13.3567 13.3567 13.6062 13.6062 13.7291 13.7291 k = 0.5831 0.2685-0.1800 ( 3390 PWs) bands (ev): -54.1683 -54.1683 -54.1678 -54.1678 -28.5891 -28.5891 -28.5842 -28.5842 -27.8044 -27.8044 -27.7989 -27.7989 -27.6941 -27.6941 -27.6926 -27.6926 -10.8437 -10.8437 -10.8195 -10.8195 -9.5201 -9.5201 -9.3344 -9.3344 -9.3284 -9.3284 -9.2533 -9.2533 1.5829 1.5829 1.9688 1.9688 2.6690 2.6690 2.7632 2.7632 3.0976 3.0976 3.2065 3.2065 3.8014 3.8014 3.9144 3.9144 5.1199 5.1199 5.3024 5.3024 5.5625 5.5625 5.6125 5.6125 6.2734 6.2734 6.4648 6.4648 6.5659 6.5659 7.0314 7.0314 7.0450 7.0450 7.3014 7.3014 11.0740 11.0740 11.3011 11.3011 11.3647 11.3647 11.4960 11.4960 11.6832 11.6832 11.7441 11.7441 13.3762 13.3762 13.6065 13.6065 13.7331 13.7331 k = 0.5790 0.2666-0.1634 ( 3387 PWs) bands (ev): -54.1683 -54.1683 -54.1678 -54.1678 -28.5889 -28.5889 -28.5843 -28.5843 -27.8042 -27.8042 -27.7989 -27.7989 -27.6940 -27.6940 -27.6927 -27.6927 -10.8541 -10.8541 -10.8327 -10.8327 -9.4985 -9.4985 -9.3295 -9.3295 -9.3245 -9.3245 -9.2522 -9.2522 1.5979 1.5979 1.9441 1.9441 2.6678 2.6678 2.7527 2.7527 3.0686 3.0686 3.1660 3.1660 3.8183 3.8183 3.9119 3.9119 5.1512 5.1512 5.3162 5.3162 5.5417 5.5417 5.5937 5.5937 6.2917 6.2917 6.4623 6.4623 6.6098 6.6098 7.0181 7.0181 7.0638 7.0638 7.3040 7.3040 11.0968 11.0968 11.3127 11.3127 11.3738 11.3738 11.5067 11.5067 11.6757 11.6757 11.7323 11.7323 13.3959 13.3959 13.6072 13.6072 13.7366 13.7366 k = 0.5748 0.2647-0.1468 ( 3383 PWs) bands (ev): -54.1683 -54.1683 -54.1678 -54.1678 -28.5887 -28.5887 -28.5844 -28.5844 -27.8039 -27.8039 -27.7990 -27.7990 -27.6940 -27.6940 -27.6929 -27.6929 -10.8643 -10.8643 -10.8456 -10.8456 -9.4774 -9.4774 -9.3247 -9.3247 -9.3204 -9.3204 -9.2512 -9.2512 1.6132 1.6132 1.9210 1.9210 2.6661 2.6661 2.7430 2.7430 3.0393 3.0393 3.1249 3.1249 3.8342 3.8342 3.9107 3.9107 5.1815 5.1815 5.3284 5.3284 5.5233 5.5233 5.5757 5.5757 6.3060 6.3060 6.4562 6.4562 6.6543 6.6543 7.0086 7.0086 7.0843 7.0843 7.3073 7.3073 11.1202 11.1202 11.3245 11.3245 11.3825 11.3825 11.5167 11.5167 11.6680 11.6680 11.7203 11.7203 13.4157 13.4157 13.6081 13.6081 13.7397 13.7397 k = 0.5707 0.2628-0.1302 ( 3383 PWs) bands (ev): -54.1683 -54.1683 -54.1678 -54.1678 -28.5886 -28.5886 -28.5844 -28.5844 -27.8037 -27.8037 -27.7990 -27.7990 -27.6939 -27.6939 -27.6930 -27.6930 -10.8742 -10.8742 -10.8581 -10.8581 -9.4571 -9.4571 -9.3200 -9.3200 -9.3161 -9.3161 -9.2504 -9.2504 1.6287 1.6287 1.8997 1.8997 2.6639 2.6639 2.7342 2.7342 3.0098 3.0098 3.0834 3.0834 3.8491 3.8491 3.9105 3.9105 5.2104 5.2104 5.3394 5.3394 5.5074 5.5074 5.5584 5.5584 6.3162 6.3162 6.4467 6.4467 6.6991 6.6991 7.0035 7.0035 7.1060 7.1060 7.3112 7.3112 11.1438 11.1438 11.3364 11.3364 11.3908 11.3908 11.5259 11.5259 11.6601 11.6601 11.7083 11.7083 13.4355 13.4355 13.6094 13.6094 13.7422 13.7422 k = 0.5665 0.2609-0.1137 ( 3380 PWs) bands (ev): -54.1683 -54.1683 -54.1679 -54.1679 -28.5884 -28.5884 -28.5845 -28.5845 -27.8035 -27.8035 -27.7990 -27.7990 -27.6939 -27.6939 -27.6930 -27.6930 -10.8839 -10.8839 -10.8701 -10.8701 -9.4376 -9.4376 -9.3157 -9.3157 -9.3113 -9.3113 -9.2498 -9.2498 1.6443 1.6443 1.8803 1.8803 2.6615 2.6615 2.7260 2.7260 2.9804 2.9804 3.0421 3.0421 3.8627 3.8627 3.9113 3.9113 5.2379 5.2379 5.3493 5.3493 5.4940 5.4940 5.5421 5.5421 6.3221 6.3221 6.4339 6.4339 6.7438 6.7438 7.0029 7.0029 7.1286 7.1286 7.3153 7.3153 11.1677 11.1677 11.3484 11.3484 11.3989 11.3989 11.5341 11.5341 11.6521 11.6521 11.6963 11.6963 13.4551 13.4551 13.6111 13.6111 13.7443 13.7443 k = 0.5623 0.2590-0.0971 ( 3377 PWs) bands (ev): -54.1683 -54.1683 -54.1679 -54.1679 -28.5883 -28.5883 -28.5846 -28.5846 -27.8033 -27.8033 -27.7991 -27.7991 -27.6938 -27.6938 -27.6931 -27.6931 -10.8931 -10.8931 -10.8816 -10.8816 -9.4189 -9.4189 -9.3117 -9.3117 -9.3062 -9.3062 -9.2494 -9.2494 1.6598 1.6598 1.8630 1.8630 2.6589 2.6589 2.7185 2.7185 2.9511 2.9511 3.0010 3.0010 3.8752 3.8752 3.9129 3.9129 5.2638 5.2638 5.3584 5.3584 5.4830 5.4830 5.5271 5.5271 6.3238 6.3238 6.4183 6.4183 6.7882 6.7882 7.0068 7.0068 7.1514 7.1514 7.3194 7.3194 11.1918 11.1918 11.3604 11.3604 11.4067 11.4067 11.5412 11.5412 11.6439 11.6439 11.6845 11.6845 13.4746 13.4746 13.6132 13.6132 13.7460 13.7460 k = 0.5582 0.2570-0.0805 ( 3382 PWs) bands (ev): -54.1683 -54.1683 -54.1679 -54.1679 -28.5881 -28.5881 -28.5846 -28.5846 -27.8031 -27.8031 -27.7991 -27.7991 -27.6938 -27.6938 -27.6932 -27.6932 -10.9020 -10.9020 -10.8924 -10.8924 -9.4011 -9.4011 -9.3079 -9.3079 -9.3009 -9.3009 -9.2492 -9.2492 1.6752 1.6752 1.8477 1.8477 2.6563 2.6563 2.7116 2.7116 2.9221 2.9221 2.9608 2.9608 3.8863 3.8863 3.9150 3.9150 5.2881 5.2881 5.3669 5.3669 5.4742 5.4742 5.5133 5.5133 6.3216 6.3216 6.4004 6.4004 6.8320 6.8320 7.0148 7.0148 7.1742 7.1742 7.3234 7.3234 11.2159 11.2159 11.3724 11.3724 11.4143 11.4143 11.5472 11.5472 11.6355 11.6355 11.6730 11.6730 13.4937 13.4937 13.6156 13.6156 13.7472 13.7472 k = 0.5540 0.2551-0.0639 ( 3386 PWs) bands (ev): -54.1683 -54.1683 -54.1679 -54.1679 -28.5880 -28.5880 -28.5847 -28.5847 -27.8029 -27.8029 -27.7992 -27.7992 -27.6938 -27.6938 -27.6933 -27.6933 -10.9105 -10.9105 -10.9027 -10.9027 -9.3843 -9.3843 -9.3042 -9.3042 -9.2956 -9.2956 -9.2492 -9.2492 1.6904 1.6904 1.8345 1.8345 2.6537 2.6537 2.7051 2.7051 2.8935 2.8935 2.9216 2.9216 3.8961 3.8961 3.9175 3.9175 5.3108 5.3108 5.3751 5.3751 5.4674 5.4674 5.5010 5.5010 6.3158 6.3158 6.3806 6.3806 6.8749 6.8749 7.0266 7.0266 7.1963 7.1963 7.3270 7.3270 11.2400 11.2400 11.3841 11.3841 11.4218 11.4218 11.5519 11.5519 11.6269 11.6269 11.6621 11.6621 13.5125 13.5125 13.6185 13.6185 13.7478 13.7478 k = 0.5499 0.2532-0.0473 ( 3379 PWs) bands (ev): -54.1683 -54.1683 -54.1679 -54.1679 -28.5878 -28.5878 -28.5848 -28.5848 -27.8027 -27.8027 -27.7992 -27.7992 -27.6938 -27.6938 -27.6933 -27.6933 -10.9185 -10.9185 -10.9123 -10.9123 -9.3685 -9.3685 -9.3007 -9.3007 -9.2905 -9.2905 -9.2494 -9.2494 1.7051 1.7051 1.8233 1.8233 2.6512 2.6512 2.6990 2.6990 2.8655 2.8655 2.8838 2.8838 3.9046 3.9046 3.9203 3.9203 5.3317 5.3317 5.3831 5.3831 5.4624 5.4624 5.4903 5.4903 6.3071 6.3071 6.3595 6.3595 6.9168 6.9168 7.0414 7.0414 7.2172 7.2172 7.3300 7.3300 11.2640 11.2640 11.3957 11.3957 11.4292 11.4292 11.5553 11.5553 11.6180 11.6180 11.6517 11.6517 13.5309 13.5309 13.6218 13.6218 13.7479 13.7479 k = 0.5457 0.2513-0.0307 ( 3382 PWs) bands (ev): -54.1683 -54.1683 -54.1679 -54.1679 -28.5877 -28.5877 -28.5849 -28.5849 -27.8024 -27.8024 -27.7993 -27.7993 -27.6938 -27.6938 -27.6934 -27.6934 -10.9260 -10.9260 -10.9211 -10.9211 -9.3538 -9.3538 -9.2972 -9.2972 -9.2856 -9.2856 -9.2497 -9.2497 1.7192 1.7192 1.8141 1.8141 2.6490 2.6490 2.6934 2.6934 2.8382 2.8382 2.8478 2.8478 3.9120 3.9120 3.9231 3.9231 5.3509 5.3509 5.3910 5.3910 5.4589 5.4589 5.4811 5.4811 6.2960 6.2960 6.3376 6.3376 6.9574 6.9574 7.0588 7.0588 7.2366 7.2366 7.3322 7.3322 11.2878 11.2878 11.4069 11.4069 11.4367 11.4367 11.5574 11.5574 11.6088 11.6088 11.6419 11.6419 13.5488 13.5488 13.6255 13.6255 13.7475 13.7475 k = 0.5416 0.2494-0.0141 ( 3386 PWs) bands (ev): -54.1683 -54.1683 -54.1679 -54.1679 -28.5875 -28.5875 -28.5850 -28.5850 -27.8022 -27.8022 -27.7993 -27.7993 -27.6938 -27.6938 -27.6934 -27.6934 -10.9330 -10.9330 -10.9293 -10.9293 -9.3402 -9.3402 -9.2938 -9.2938 -9.2809 -9.2809 -9.2502 -9.2502 1.7327 1.7327 1.8069 1.8069 2.6471 2.6471 2.6880 2.6880 2.8114 2.8114 2.8143 2.8143 3.9182 3.9182 3.9260 3.9260 5.3685 5.3685 5.3990 5.3990 5.4565 5.4565 5.4735 5.4735 6.2830 6.2830 6.3154 6.3154 6.9966 6.9966 7.0781 7.0781 7.2541 7.2541 7.3336 7.3336 11.3113 11.3113 11.4177 11.4177 11.4442 11.4442 11.5582 11.5582 11.5993 11.5993 11.6328 11.6328 13.5661 13.5661 13.6298 13.6298 13.7465 13.7465 k = 0.5374 0.2475 0.0025 ( 3385 PWs) bands (ev): -54.1683 -54.1683 -54.1679 -54.1679 -28.5874 -28.5874 -28.5851 -28.5851 -27.8020 -27.8020 -27.7994 -27.7994 -27.6938 -27.6938 -27.6934 -27.6934 -10.9395 -10.9395 -10.9367 -10.9367 -9.3277 -9.3277 -9.2905 -9.2905 -9.2766 -9.2766 -9.2509 -9.2509 1.7452 1.7452 1.8014 1.8014 2.6455 2.6455 2.6830 2.6830 2.7819 2.7819 2.7872 2.7872 3.9233 3.9233 3.9287 3.9287 5.3843 5.3843 5.4069 5.4069 5.4551 5.4551 5.4675 5.4675 6.2690 6.2690 6.2934 6.2934 7.0341 7.0341 7.0986 7.0986 7.2693 7.2693 7.3338 7.3338 11.3344 11.3344 11.4280 11.4280 11.4518 11.4518 11.5578 11.5578 11.5895 11.5895 11.6240 11.6240 13.5827 13.5827 13.6345 13.6345 13.7449 13.7449 k = 0.5333 0.2456 0.0191 ( 3381 PWs) bands (ev): -54.1683 -54.1683 -54.1679 -54.1679 -28.5872 -28.5872 -28.5851 -28.5851 -27.8018 -27.8018 -27.7995 -27.7995 -27.6938 -27.6938 -27.6935 -27.6935 -10.9453 -10.9453 -10.9434 -10.9434 -9.3164 -9.3164 -9.2873 -9.2873 -9.2727 -9.2727 -9.2518 -9.2518 1.7566 1.7566 1.7976 1.7976 2.6443 2.6443 2.6782 2.6782 2.7532 2.7532 2.7632 2.7632 3.9276 3.9276 3.9312 3.9312 5.3985 5.3985 5.4149 5.4149 5.4544 5.4544 5.4630 5.4630 6.2543 6.2543 6.2722 6.2722 7.0698 7.0698 7.1198 7.1198 7.2819 7.2819 7.3329 7.3329 11.3569 11.3569 11.4378 11.4378 11.4596 11.4596 11.5563 11.5563 11.5797 11.5797 11.6155 11.6155 13.5987 13.5987 13.6396 13.6396 13.7426 13.7426 k = 0.5291 0.2436 0.0357 ( 3381 PWs) bands (ev): -54.1683 -54.1683 -54.1679 -54.1679 -28.5871 -28.5871 -28.5852 -28.5852 -27.8016 -27.8016 -27.7996 -27.7996 -27.6939 -27.6939 -27.6935 -27.6935 -10.9506 -10.9506 -10.9492 -10.9492 -9.3061 -9.3061 -9.2842 -9.2842 -9.2694 -9.2694 -9.2529 -9.2529 1.7668 1.7668 1.7953 1.7953 2.6435 2.6435 2.6737 2.6737 2.7276 2.7276 2.7409 2.7409 3.9309 3.9309 3.9334 3.9334 5.4110 5.4110 5.4225 5.4225 5.4541 5.4541 5.4598 5.4598 6.2397 6.2397 6.2521 6.2521 7.1036 7.1036 7.1413 7.1413 7.2917 7.2917 7.3307 7.3307 11.3787 11.3787 11.4471 11.4471 11.4676 11.4676 11.5538 11.5538 11.5699 11.5699 11.6069 11.6069 13.6140 13.6140 13.6453 13.6453 13.7397 13.7397 k = 0.5249 0.2417 0.0523 ( 3378 PWs) bands (ev): -54.1683 -54.1683 -54.1679 -54.1679 -28.5869 -28.5869 -28.5853 -28.5853 -27.8015 -27.8015 -27.7997 -27.7997 -27.6939 -27.6939 -27.6935 -27.6935 -10.9552 -10.9552 -10.9543 -10.9543 -9.2971 -9.2971 -9.2812 -9.2812 -9.2665 -9.2665 -9.2541 -9.2541 1.7757 1.7757 1.7942 1.7942 2.6431 2.6431 2.6694 2.6694 2.7052 2.7052 2.7205 2.7205 3.9336 3.9336 3.9354 3.9354 5.4218 5.4218 5.4298 5.4298 5.4541 5.4541 5.4580 5.4580 6.2256 6.2256 6.2337 6.2337 7.1352 7.1352 7.1626 7.1626 7.2985 7.2985 7.3271 7.3271 11.3998 11.3998 11.4560 11.4560 11.4756 11.4756 11.5503 11.5503 11.5604 11.5604 11.5982 11.5982 13.6285 13.6285 13.6514 13.6514 13.7361 13.7361 k = 0.5208 0.2398 0.0689 ( 3380 PWs) bands (ev): -54.1683 -54.1683 -54.1679 -54.1679 -28.5868 -28.5868 -28.5854 -28.5854 -27.8013 -27.8013 -27.7998 -27.7998 -27.6939 -27.6939 -27.6935 -27.6935 -10.9592 -10.9592 -10.9586 -10.9586 -9.2891 -9.2891 -9.2783 -9.2783 -9.2643 -9.2643 -9.2555 -9.2555 1.7830 1.7830 1.7941 1.7941 2.6432 2.6432 2.6654 2.6654 2.6865 2.6865 2.7021 2.7021 3.9357 3.9357 3.9371 3.9371 5.4310 5.4310 5.4363 5.4363 5.4544 5.4544 5.4571 5.4571 6.2125 6.2125 6.2174 6.2174 7.1644 7.1644 7.1833 7.1833 7.3023 7.3023 7.3220 7.3220 11.4199 11.4199 11.4645 11.4645 11.4836 11.4836 11.5454 11.5454 11.5518 11.5518 11.5890 11.5890 13.6421 13.6421 13.6580 13.6580 13.7317 13.7317 k = 0.5166 0.2379 0.0854 ( 3382 PWs) bands (ev): -54.1683 -54.1683 -54.1679 -54.1679 -28.5866 -28.5866 -28.5855 -28.5855 -27.8011 -27.8011 -27.7999 -27.7999 -27.6939 -27.6939 -27.6935 -27.6935 -10.9625 -10.9625 -10.9622 -10.9622 -9.2823 -9.2823 -9.2755 -9.2755 -9.2627 -9.2627 -9.2570 -9.2570 1.7889 1.7889 1.7948 1.7948 2.6437 2.6437 2.6614 2.6614 2.6718 2.6718 2.6860 2.6860 3.9373 3.9373 3.9384 3.9384 5.4384 5.4384 5.4417 5.4417 5.4551 5.4551 5.4570 5.4570 6.2009 6.2009 6.2036 6.2036 7.1912 7.1912 7.2032 7.2032 7.3029 7.3029 7.3154 7.3154 11.4388 11.4388 11.4727 11.4727 11.4913 11.4913 11.5381 11.5381 11.5453 11.5453 11.5793 11.5793 13.6550 13.6550 13.6651 13.6651 13.7265 13.7265 k = 0.5125 0.2360 0.1020 ( 3380 PWs) bands (ev): -54.1683 -54.1683 -54.1679 -54.1679 -28.5865 -28.5865 -28.5857 -28.5857 -27.8009 -27.8009 -27.8000 -27.8000 -27.6939 -27.6939 -27.6935 -27.6935 -10.9651 -10.9651 -10.9649 -10.9649 -9.2765 -9.2765 -9.2728 -9.2728 -9.2619 -9.2619 -9.2587 -9.2587 1.7932 1.7932 1.7958 1.7958 2.6445 2.6445 2.6568 2.6568 2.6618 2.6618 2.6725 2.6725 3.9385 3.9385 3.9393 3.9393 5.4439 5.4439 5.4457 5.4457 5.4563 5.4563 5.4574 5.4574 6.1913 6.1913 6.1925 6.1925 7.2152 7.2152 7.2219 7.2219 7.3003 7.3003 7.3072 7.3072 11.4564 11.4564 11.4807 11.4807 11.4985 11.4985 11.5293 11.5293 11.5405 11.5405 11.5693 11.5693 13.6669 13.6669 13.6726 13.6726 13.7205 13.7205 k = 0.5083 0.2341 0.1186 ( 3384 PWs) bands (ev): -54.1683 -54.1683 -54.1679 -54.1679 -28.5864 -28.5864 -28.5858 -28.5858 -27.8008 -27.8008 -27.8001 -27.8001 -27.6939 -27.6939 -27.6935 -27.6935 -10.9670 -10.9670 -10.9668 -10.9668 -9.2720 -9.2720 -9.2704 -9.2704 -9.2618 -9.2618 -9.2604 -9.2604 1.7961 1.7961 1.7970 1.7970 2.6458 2.6458 2.6515 2.6515 2.6568 2.6568 2.6620 2.6620 3.9394 3.9394 3.9399 3.9399 5.4474 5.4474 5.4483 5.4483 5.4578 5.4578 5.4582 5.4582 6.1840 6.1840 6.1845 6.1845 7.2363 7.2363 7.2392 7.2392 7.2947 7.2947 7.2977 7.2977 11.4722 11.4722 11.4884 11.4884 11.5041 11.5041 11.5201 11.5201 11.5370 11.5370 11.5591 11.5591 13.6780 13.6780 13.6806 13.6806 13.7137 13.7138 k = 0.5042 0.2322 0.1352 ( 3389 PWs) bands (ev): -54.1683 -54.1683 -54.1679 -54.1679 -28.5863 -28.5863 -28.5858 -28.5858 -27.8007 -27.8007 -27.8002 -27.8002 -27.6939 -27.6939 -27.6935 -27.6935 -10.9681 -10.9681 -10.9680 -10.9680 -9.2687 -9.2687 -9.2683 -9.2683 -9.2623 -9.2623 -9.2620 -9.2620 1.7976 1.7976 1.7980 1.7980 2.6471 2.6471 2.6483 2.6483 2.6538 2.6538 2.6549 2.6549 3.9400 3.9400 3.9402 3.9402 5.4492 5.4492 5.4496 5.4496 5.4590 5.4590 5.4591 5.4591 6.1795 6.1795 6.1797 6.1797 7.2537 7.2537 7.2544 7.2544 7.2865 7.2865 7.2871 7.2871 11.4859 11.4859 11.4953 11.4953 11.5065 11.5065 11.5110 11.5110 11.5368 11.5368 11.5495 11.5495 13.6883 13.6886 13.6889 13.6897 13.7061 13.7068 k = 0.5000 0.2302 0.1518 ( 3392 PWs) bands (ev): -54.1683 -54.1683 -54.1679 -54.1679 -28.5863 -28.5863 -28.5859 -28.5859 -27.8006 -27.8006 -27.8002 -27.8002 -27.6939 -27.6939 -27.6935 -27.6935 -10.9684 -10.9684 -10.9684 -10.9684 -9.2673 -9.2673 -9.2673 -9.2673 -9.2628 -9.2628 -9.2628 -9.2628 1.7982 1.7982 1.7982 1.7982 2.6477 2.6477 2.6477 2.6477 2.6523 2.6523 2.6524 2.6524 3.9402 3.9402 3.9402 3.9402 5.4499 5.4499 5.4499 5.4499 5.4594 5.4594 5.4595 5.4595 6.1780 6.1780 6.1780 6.1780 7.2632 7.2632 7.2632 7.2632 7.2801 7.2801 7.2801 7.2801 11.4960 11.4960 11.4963 11.4963 11.5055 11.5055 11.5057 11.5057 11.5412 11.5412 11.5415 11.5415 13.6972 13.6974 13.6976 13.6978 13.6979 13.6981 k = 0.5000-0.4278-0.2821 ( 3382 PWs) bands (ev): -54.1682 -54.1682 -54.1678 -54.1678 -28.5868 -28.5868 -28.5865 -28.5865 -27.8009 -27.8009 -27.8005 -27.8005 -27.6959 -27.6959 -27.6955 -27.6955 -10.7245 -10.7245 -10.7245 -10.7245 -9.5034 -9.5034 -9.5034 -9.5034 -9.3542 -9.3542 -9.3542 -9.3542 1.7958 1.7958 1.7958 1.7958 2.6298 2.6298 2.6298 2.6298 3.6141 3.6141 3.6142 3.6142 3.8371 3.8371 3.8371 3.8371 4.9316 4.9316 4.9316 4.9316 5.5998 5.5998 5.5998 5.5998 6.3858 6.3858 6.3858 6.3858 6.5112 6.5112 6.5112 6.5112 7.4707 7.4707 7.4708 7.4708 11.2468 11.2468 11.2471 11.2471 11.4683 11.4683 11.4686 11.4686 11.5870 11.5870 11.5873 11.5873 13.3701 13.3701 13.3704 13.3704 13.7030 13.7030 k = 0.5123-0.4178-0.2755 ( 3381 PWs) bands (ev): -54.1682 -54.1682 -54.1678 -54.1678 -28.5869 -28.5869 -28.5864 -28.5864 -27.8010 -27.8010 -27.8004 -27.8004 -27.6959 -27.6959 -27.6955 -27.6955 -10.7275 -10.7275 -10.7212 -10.7212 -9.5171 -9.5171 -9.4900 -9.4900 -9.3550 -9.3550 -9.3532 -9.3532 1.7719 1.7719 1.8203 1.8203 2.6243 2.6243 2.6365 2.6365 3.6007 3.6007 3.6279 3.6279 3.8307 3.8307 3.8417 3.8417 4.9179 4.9179 4.9469 4.9469 5.5831 5.5831 5.6157 5.6157 6.3599 6.3599 6.4097 6.4097 6.5065 6.5065 6.5177 6.5177 7.4585 7.4585 7.4818 7.4818 11.2332 11.2332 11.2596 11.2596 11.4572 11.4572 11.4787 11.4787 11.5736 11.5736 11.6015 11.6015 13.3535 13.3535 13.3874 13.3874 13.6940 13.6940 k = 0.5246-0.4078-0.2689 ( 3385 PWs) bands (ev): -54.1682 -54.1682 -54.1678 -54.1678 -28.5871 -28.5871 -28.5862 -28.5862 -27.8012 -27.8012 -27.8002 -27.8002 -27.6959 -27.6959 -27.6954 -27.6954 -10.7301 -10.7301 -10.7176 -10.7176 -9.5313 -9.5313 -9.4771 -9.4771 -9.3559 -9.3559 -9.3522 -9.3522 1.7486 1.7486 1.8452 1.8452 2.6198 2.6198 2.6444 2.6444 3.5876 3.5876 3.6420 3.6420 3.8226 3.8226 3.8444 3.8444 4.9062 4.9062 4.9637 4.9637 5.5659 5.5659 5.6309 5.6309 6.3329 6.3329 6.4291 6.4291 6.5060 6.5060 6.5247 6.5247 7.4453 7.4453 7.4914 7.4914 11.2183 11.2183 11.2710 11.2710 11.4453 11.4453 11.4871 11.4871 11.5619 11.5619 11.6163 11.6163 13.3373 13.3373 13.4048 13.4048 13.6854 13.6854 k = 0.5369-0.3978-0.2623 ( 3391 PWs) bands (ev): -54.1682 -54.1682 -54.1678 -54.1678 -28.5873 -28.5873 -28.5860 -28.5860 -27.8015 -27.8015 -27.8001 -27.8001 -27.6960 -27.6960 -27.6953 -27.6953 -10.7323 -10.7323 -10.7138 -10.7138 -9.5459 -9.5459 -9.4648 -9.4648 -9.3567 -9.3567 -9.3512 -9.3512 1.7260 1.7260 1.8705 1.8705 2.6163 2.6163 2.6535 2.6535 3.5748 3.5748 3.6563 3.6563 3.8131 3.8131 3.8451 3.8451 4.8965 4.8965 4.9815 4.9815 5.5483 5.5483 5.6454 5.6454 6.3054 6.3054 6.4407 6.4407 6.5132 6.5132 6.5315 6.5315 7.4314 7.4314 7.4994 7.4994 11.2024 11.2024 11.2811 11.2811 11.4330 11.4330 11.4916 11.4916 11.5541 11.5541 11.6311 11.6311 13.3217 13.3217 13.4224 13.4224 13.6772 13.6772 k = 0.5492-0.3877-0.2557 ( 3393 PWs) bands (ev): -54.1682 -54.1682 -54.1678 -54.1678 -28.5875 -28.5875 -28.5859 -28.5859 -27.8017 -27.8017 -27.7999 -27.7999 -27.6960 -27.6960 -27.6951 -27.6951 -10.7342 -10.7342 -10.7097 -10.7097 -9.5608 -9.5608 -9.4530 -9.4530 -9.3576 -9.3576 -9.3500 -9.3500 1.7039 1.7039 1.8962 1.8962 2.6136 2.6136 2.6639 2.6639 3.5623 3.5623 3.6711 3.6711 3.8025 3.8025 3.8437 3.8437 4.8889 4.8889 4.9999 4.9999 5.5306 5.5306 5.6593 5.6593 6.2778 6.2778 6.4435 6.4435 6.5287 6.5287 6.5378 6.5378 7.4172 7.4172 7.5056 7.5056 11.1856 11.1856 11.2898 11.2898 11.4204 11.4204 11.4901 11.4901 11.5524 11.5524 11.6459 11.6459 13.3066 13.3066 13.4401 13.4401 13.6696 13.6696 k = 0.5614-0.3777-0.2491 ( 3396 PWs) bands (ev): -54.1682 -54.1682 -54.1678 -54.1678 -28.5877 -28.5877 -28.5857 -28.5857 -27.8020 -27.8020 -27.7997 -27.7997 -27.6961 -27.6961 -27.6950 -27.6950 -10.7356 -10.7356 -10.7054 -10.7054 -9.5759 -9.5759 -9.4419 -9.4419 -9.3584 -9.3584 -9.3488 -9.3488 1.6826 1.6826 1.9222 1.9222 2.6118 2.6118 2.6757 2.6757 3.5501 3.5501 3.6861 3.6861 3.7909 3.7909 3.8402 3.8402 4.8833 4.8833 5.0184 5.0184 5.5132 5.5132 5.6726 5.6726 6.2502 6.2502 6.4412 6.4412 6.5410 6.5410 6.5512 6.5512 7.4031 7.4031 7.5101 7.5101 11.1681 11.1681 11.2970 11.2970 11.4076 11.4076 11.4825 11.4825 11.5569 11.5569 11.6605 11.6605 13.2923 13.2923 13.4578 13.4578 13.6626 13.6626 k = 0.5737-0.3677-0.2425 ( 3392 PWs) bands (ev): -54.1683 -54.1683 -54.1678 -54.1678 -28.5879 -28.5879 -28.5855 -28.5855 -27.8023 -27.8023 -27.7995 -27.7995 -27.6961 -27.6961 -27.6948 -27.6948 -10.7366 -10.7366 -10.7009 -10.7009 -9.5912 -9.5912 -9.4314 -9.4314 -9.3592 -9.3592 -9.3473 -9.3473 1.6621 1.6621 1.9484 1.9484 2.6106 2.6106 2.6888 2.6888 3.5382 3.5382 3.7013 3.7013 3.7788 3.7788 3.8346 3.8346 4.8795 4.8795 5.0361 5.0361 5.4967 5.4967 5.6855 5.6855 6.2227 6.2227 6.4367 6.4367 6.5444 6.5444 6.5741 6.5741 7.3894 7.3894 7.5128 7.5128 11.1499 11.1499 11.3027 11.3027 11.3945 11.3945 11.4715 11.4715 11.5653 11.5653 11.6749 11.6749 13.2787 13.2787 13.4753 13.4753 13.6561 13.6561 k = 0.5860-0.3577-0.2359 ( 3388 PWs) bands (ev): -54.1683 -54.1683 -54.1678 -54.1678 -28.5881 -28.5881 -28.5853 -28.5853 -27.8025 -27.8025 -27.7994 -27.7994 -27.6961 -27.6961 -27.6946 -27.6946 -10.7372 -10.7372 -10.6964 -10.6964 -9.6066 -9.6066 -9.4215 -9.4215 -9.3600 -9.3600 -9.3457 -9.3457 1.6423 1.6423 1.9747 1.9747 2.6099 2.6099 2.7032 2.7032 3.5265 3.5265 3.7162 3.7162 3.7668 3.7668 3.8272 3.8272 4.8776 4.8776 5.0522 5.0522 5.4819 5.4819 5.6981 5.6981 6.1956 6.1956 6.4316 6.4316 6.5451 6.5451 6.5979 6.5979 7.3766 7.3766 7.5135 7.5135 11.1311 11.1311 11.3068 11.3068 11.3814 11.3814 11.4591 11.4591 11.5756 11.5756 11.6889 11.6889 13.2659 13.2659 13.4925 13.4925 13.6502 13.6502 k = 0.5983-0.3477-0.2293 ( 3381 PWs) bands (ev): -54.1683 -54.1683 -54.1678 -54.1678 -28.5883 -28.5883 -28.5852 -28.5852 -27.8028 -27.8028 -27.7992 -27.7992 -27.6961 -27.6961 -27.6944 -27.6944 -10.7374 -10.7374 -10.6918 -10.6918 -9.6220 -9.6220 -9.4124 -9.4124 -9.3608 -9.3608 -9.3439 -9.3439 1.6233 1.6233 2.0011 2.0011 2.6097 2.6097 2.7190 2.7190 3.5150 3.5150 3.7285 3.7285 3.7573 3.7573 3.8180 3.8180 4.8771 4.8771 5.0655 5.0655 5.4698 5.4698 5.7106 5.7106 6.1688 6.1688 6.4265 6.4265 6.5433 6.5433 6.6218 6.6218 7.3651 7.3651 7.5124 7.5124 11.1119 11.1119 11.3091 11.3091 11.3682 11.3682 11.4462 11.4462 11.5869 11.5869 11.7026 11.7026 13.2538 13.2538 13.5092 13.5092 13.6448 13.6448 k = 0.6106-0.3377-0.2227 ( 3381 PWs) bands (ev): -54.1683 -54.1683 -54.1678 -54.1678 -28.5885 -28.5885 -28.5850 -28.5850 -27.8031 -27.8031 -27.7991 -27.7991 -27.6961 -27.6961 -27.6942 -27.6942 -10.7371 -10.7371 -10.6873 -10.6873 -9.6374 -9.6374 -9.4041 -9.4041 -9.3616 -9.3616 -9.3418 -9.3418 1.6050 1.6050 2.0274 2.0274 2.6097 2.6097 2.7362 2.7362 3.5039 3.5039 3.7287 3.7287 3.7600 3.7600 3.8074 3.8074 4.8778 4.8778 5.0748 5.0748 5.4616 5.4616 5.7233 5.7233 6.1424 6.1424 6.4216 6.4216 6.5386 6.5386 6.6453 6.6453 7.3552 7.3552 7.5094 7.5094 11.0924 11.0924 11.3094 11.3094 11.3551 11.3551 11.4338 11.4338 11.5986 11.5986 11.7158 11.7158 13.2426 13.2426 13.5253 13.5253 13.6400 13.6400 k = 0.6229-0.3277-0.2161 ( 3381 PWs) bands (ev): -54.1683 -54.1683 -54.1678 -54.1678 -28.5887 -28.5887 -28.5848 -28.5848 -27.8035 -27.8035 -27.7990 -27.7990 -27.6961 -27.6961 -27.6939 -27.6939 -10.7364 -10.7364 -10.6828 -10.6828 -9.6527 -9.6527 -9.3966 -9.3966 -9.3625 -9.3625 -9.3393 -9.3393 1.5876 1.5876 2.0536 2.0536 2.6100 2.6100 2.7546 2.7546 3.4930 3.4930 3.7179 3.7179 3.7737 3.7737 3.7957 3.7957 4.8795 4.8795 5.0789 5.0789 5.4583 5.4583 5.7363 5.7363 6.1165 6.1165 6.4172 6.4172 6.5307 6.5307 6.6682 6.6682 7.3473 7.3473 7.5047 7.5047 11.0727 11.0727 11.3074 11.3074 11.3423 11.3423 11.4221 11.4221 11.6106 11.6106 11.7286 11.7286 13.2322 13.2322 13.5406 13.5406 13.6358 13.6358 k = 0.6352-0.3177-0.2095 ( 3383 PWs) bands (ev): -54.1683 -54.1683 -54.1678 -54.1678 -28.5890 -28.5890 -28.5847 -28.5847 -27.8038 -27.8038 -27.7988 -27.7988 -27.6961 -27.6961 -27.6937 -27.6937 -10.7353 -10.7353 -10.6786 -10.6786 -9.6677 -9.6677 -9.3900 -9.3900 -9.3633 -9.3633 -9.3365 -9.3365 1.5710 1.5710 2.0794 2.0794 2.6102 2.6102 2.7743 2.7743 3.4823 3.4823 3.7047 3.7047 3.7805 3.7805 3.7927 3.7927 4.8818 4.8818 5.0770 5.0770 5.4609 5.4609 5.7499 5.7499 6.0911 6.0911 6.4133 6.4133 6.5195 6.5195 6.6904 6.6904 7.3416 7.3416 7.4983 7.4983 11.0529 11.0529 11.3027 11.3027 11.3300 11.3300 11.4115 11.4115 11.6227 11.6227 11.7410 11.7410 13.2227 13.2227 13.5550 13.5550 13.6322 13.6322 k = 0.6475-0.3077-0.2029 ( 3381 PWs) bands (ev): -54.1683 -54.1683 -54.1677 -54.1677 -28.5892 -28.5892 -28.5845 -28.5845 -27.8041 -27.8041 -27.7987 -27.7987 -27.6961 -27.6961 -27.6934 -27.6934 -10.7338 -10.7338 -10.6746 -10.6746 -9.6825 -9.6825 -9.3843 -9.3843 -9.3642 -9.3642 -9.3333 -9.3333 1.5553 1.5553 2.1050 2.1050 2.6105 2.6105 2.7952 2.7952 3.4719 3.4719 3.6909 3.6909 3.7676 3.7676 3.8097 3.8097 4.8843 4.8843 5.0688 5.0688 5.4696 5.4696 5.7642 5.7642 6.0664 6.0664 6.4100 6.4100 6.5050 6.5050 6.7118 6.7118 7.3381 7.3381 7.4902 7.4902 11.0331 11.0331 11.2953 11.2953 11.3184 11.3184 11.4024 11.4024 11.6347 11.6347 11.7528 11.7528 13.2140 13.2140 13.5683 13.5683 13.6290 13.6290 k = 0.6597-0.2976-0.1963 ( 3381 PWs) bands (ev): -54.1683 -54.1683 -54.1677 -54.1677 -28.5894 -28.5894 -28.5843 -28.5843 -27.8044 -27.8044 -27.7986 -27.7986 -27.6961 -27.6961 -27.6932 -27.6932 -10.7318 -10.7318 -10.6709 -10.6709 -9.6968 -9.6968 -9.3796 -9.3796 -9.3650 -9.3650 -9.3298 -9.3298 1.5403 1.5403 2.1300 2.1300 2.6105 2.6105 2.8172 2.8172 3.4617 3.4617 3.6770 3.6770 3.7533 3.7533 3.8281 3.8281 4.8869 4.8869 5.0547 5.0547 5.4840 5.4840 5.7795 5.7795 6.0422 6.0422 6.4073 6.4073 6.4873 6.4873 6.7322 6.7322 7.3370 7.3370 7.4807 7.4807 11.0134 11.0134 11.2855 11.2855 11.3073 11.3073 11.3947 11.3947 11.6467 11.6467 11.7641 11.7641 13.2061 13.2061 13.5804 13.5804 13.6264 13.6264 k = 0.6720-0.2876-0.1897 ( 3379 PWs) bands (ev): -54.1683 -54.1683 -54.1677 -54.1677 -28.5896 -28.5896 -28.5841 -28.5841 -27.8047 -27.8047 -27.7985 -27.7985 -27.6961 -27.6961 -27.6929 -27.6929 -10.7295 -10.7295 -10.6677 -10.6677 -9.7105 -9.7105 -9.3757 -9.3757 -9.3656 -9.3656 -9.3258 -9.3258 1.5262 1.5262 2.1544 2.1544 2.6102 2.6102 2.8403 2.8403 3.4518 3.4518 3.6630 3.6630 3.7386 3.7386 3.8471 3.8471 4.8891 4.8891 5.0357 5.0357 5.5033 5.5033 5.7959 5.7959 6.0186 6.0186 6.4051 6.4051 6.4666 6.4666 6.7518 6.7518 7.3380 7.3380 7.4699 7.4699 10.9940 10.9940 11.2740 11.2740 11.2960 11.2960 11.3886 11.3886 11.6584 11.6584 11.7749 11.7749 13.1990 13.1990 13.5911 13.5911 13.6244 13.6244 k = 0.6843-0.2776-0.1831 ( 3385 PWs) bands (ev): -54.1684 -54.1684 -54.1677 -54.1677 -28.5898 -28.5898 -28.5840 -28.5840 -27.8051 -27.8051 -27.7983 -27.7983 -27.6961 -27.6961 -27.6926 -27.6926 -10.7267 -10.7267 -10.6650 -10.6650 -9.7236 -9.7236 -9.3730 -9.3730 -9.3660 -9.3660 -9.3217 -9.3217 1.5130 1.5130 2.1782 2.1782 2.6096 2.6096 2.8642 2.8642 3.4421 3.4421 3.6492 3.6492 3.7240 3.7240 3.8664 3.8664 4.8909 4.8909 5.0128 5.0128 5.5265 5.5265 5.8136 5.8136 5.9957 5.9957 6.4035 6.4035 6.4433 6.4433 6.7703 6.7703 7.3410 7.3410 7.4578 7.4578 10.9750 10.9750 11.2617 11.2617 11.2844 11.2844 11.3836 11.3836 11.6699 11.6699 11.7851 11.7851 13.1927 13.1927 13.6002 13.6002 13.6228 13.6228 k = 0.6966-0.2676-0.1765 ( 3384 PWs) bands (ev): -54.1684 -54.1684 -54.1677 -54.1677 -28.5901 -28.5901 -28.5838 -28.5838 -27.8054 -27.8054 -27.7982 -27.7982 -27.6961 -27.6961 -27.6923 -27.6923 -10.7236 -10.7236 -10.6629 -10.6629 -9.7360 -9.7360 -9.3716 -9.3716 -9.3656 -9.3656 -9.3173 -9.3173 1.5006 1.5006 2.2011 2.2011 2.6085 2.6085 2.8889 2.8889 3.4327 3.4327 3.6354 3.6354 3.7097 3.7097 3.8858 3.8858 4.8919 4.8919 4.9871 4.9871 5.5528 5.5528 5.8325 5.8325 5.9734 5.9734 6.4018 6.4018 6.4181 6.4181 6.7878 6.7878 7.3458 7.3458 7.4446 7.4446 10.9564 10.9564 11.2490 11.2490 11.2722 11.2722 11.3795 11.3795 11.6810 11.6810 11.7948 11.7948 13.1871 13.1871 13.6077 13.6077 13.6219 13.6219 k = 0.7089-0.2576-0.1699 ( 3387 PWs) bands (ev): -54.1684 -54.1684 -54.1676 -54.1676 -28.5903 -28.5903 -28.5836 -28.5836 -27.8057 -27.8057 -27.7981 -27.7981 -27.6962 -27.6962 -27.6920 -27.6920 -10.7201 -10.7201 -10.6616 -10.6616 -9.7474 -9.7474 -9.3715 -9.3715 -9.3644 -9.3644 -9.3129 -9.3129 1.4890 1.4890 2.2230 2.2230 2.6069 2.6069 2.9142 2.9142 3.4236 3.4236 3.6217 3.6217 3.6960 3.6960 3.9050 3.9050 4.8920 4.8920 4.9596 4.9596 5.5814 5.5814 5.8529 5.8529 5.9518 5.9518 6.3880 6.3880 6.4039 6.4039 6.8043 6.8043 7.3520 7.3520 7.4304 7.4304 10.9383 10.9383 11.2363 11.2363 11.2596 11.2596 11.3762 11.3762 11.6918 11.6918 11.8039 11.8039 13.1823 13.1823 13.6132 13.6132 13.6217 13.6217 k = 0.7212-0.2476-0.1633 ( 3385 PWs) bands (ev): -54.1684 -54.1684 -54.1676 -54.1676 -28.5905 -28.5905 -28.5835 -28.5835 -27.8061 -27.8061 -27.7979 -27.7979 -27.6962 -27.6962 -27.6917 -27.6917 -10.7162 -10.7162 -10.6611 -10.6611 -9.7579 -9.7579 -9.3721 -9.3721 -9.3630 -9.3630 -9.3085 -9.3085 1.4783 1.4783 2.2439 2.2439 2.6047 2.6047 2.9399 2.9399 3.4147 3.4147 3.6079 3.6079 3.6832 3.6832 3.9239 3.9239 4.8912 4.8912 4.9311 4.9311 5.6116 5.6116 5.8745 5.8745 5.9309 5.9309 6.3595 6.3595 6.4034 6.4034 6.8199 6.8199 7.3593 7.3593 7.4155 7.4155 10.9210 10.9210 11.2237 11.2237 11.2470 11.2470 11.3733 11.3733 11.7021 11.7021 11.8125 11.8125 13.1781 13.1781 13.6163 13.6163 13.6228 13.6228 k = 0.7335-0.2376-0.1567 ( 3381 PWs) bands (ev): -54.1685 -54.1685 -54.1676 -54.1676 -28.5907 -28.5907 -28.5833 -28.5833 -27.8064 -27.8064 -27.7978 -27.7978 -27.6962 -27.6962 -27.6914 -27.6914 -10.7120 -10.7120 -10.6616 -10.6616 -9.7672 -9.7672 -9.3730 -9.3730 -9.3615 -9.3615 -9.3041 -9.3041 1.4683 1.4683 2.2636 2.2636 2.6020 2.6020 2.9658 2.9658 3.4062 3.4062 3.5941 3.5941 3.6715 3.6715 3.9421 3.9421 4.8892 4.8892 4.9026 4.9026 5.6431 5.6431 5.8968 5.8968 5.9113 5.9113 6.3295 6.3295 6.4042 6.4042 6.8345 6.8345 7.3673 7.3673 7.4000 7.4000 10.9045 10.9045 11.2113 11.2113 11.2344 11.2344 11.3708 11.3708 11.7120 11.7120 11.8206 11.8206 13.1746 13.1746 13.6174 13.6174 13.6245 13.6245 k = 0.7458-0.2276-0.1501 ( 3378 PWs) bands (ev): -54.1685 -54.1685 -54.1676 -54.1676 -28.5909 -28.5909 -28.5831 -28.5831 -27.8067 -27.8067 -27.7977 -27.7977 -27.6963 -27.6963 -27.6911 -27.6911 -10.7075 -10.7075 -10.6630 -10.6630 -9.7753 -9.7753 -9.3741 -9.3741 -9.3603 -9.3603 -9.2998 -9.2998 1.4592 1.4592 2.2821 2.2821 2.5986 2.5986 2.9916 2.9916 3.3980 3.3980 3.5802 3.5802 3.6612 3.6612 3.9591 3.9591 4.8746 4.8746 4.8864 4.8864 5.6753 5.6753 5.8900 5.8900 5.9226 5.9226 6.2987 6.2987 6.4058 6.4058 6.8481 6.8481 7.3745 7.3745 7.3854 7.3854 10.8889 10.8889 11.1990 11.1990 11.2220 11.2220 11.3686 11.3686 11.7213 11.7213 11.8281 11.8281 13.1717 13.1717 13.6178 13.6178 13.6255 13.6255 k = 0.7581-0.2176-0.1435 ( 3380 PWs) bands (ev): -54.1685 -54.1685 -54.1675 -54.1675 -28.5912 -28.5912 -28.5829 -28.5829 -27.8071 -27.8071 -27.7975 -27.7975 -27.6963 -27.6963 -27.6908 -27.6908 -10.7027 -10.7027 -10.6655 -10.6655 -9.7821 -9.7821 -9.3753 -9.3753 -9.3592 -9.3592 -9.2956 -9.2956 1.4510 1.4510 2.2991 2.2991 2.5947 2.5947 3.0169 3.0169 3.3903 3.3903 3.5659 3.5659 3.6527 3.6527 3.9745 3.9745 4.8483 4.8483 4.8824 4.8824 5.7078 5.7078 5.8712 5.8712 5.9477 5.9477 6.2679 6.2679 6.4083 6.4083 6.8609 6.8609 7.3654 7.3654 7.3868 7.3868 10.8742 10.8742 11.1868 11.1868 11.2102 11.2102 11.3666 11.3666 11.7301 11.7301 11.8350 11.8350 13.1694 13.1694 13.6180 13.6180 13.6255 13.6255 k = 0.7703-0.2076-0.1369 ( 3384 PWs) bands (ev): -54.1685 -54.1685 -54.1675 -54.1675 -28.5914 -28.5914 -28.5827 -28.5827 -27.8074 -27.8074 -27.7973 -27.7973 -27.6964 -27.6964 -27.6905 -27.6905 -10.6975 -10.6975 -10.6692 -10.6692 -9.7876 -9.7876 -9.3765 -9.3765 -9.3582 -9.3582 -9.2916 -9.2916 1.4435 1.4435 2.3147 2.3147 2.5902 2.5902 3.0415 3.0415 3.3830 3.3830 3.5512 3.5512 3.6462 3.6462 3.9876 3.9876 4.8244 4.8244 4.8774 4.8774 5.7401 5.7401 5.8532 5.8532 5.9737 5.9737 6.2374 6.2374 6.4118 6.4118 6.8729 6.8729 7.3488 7.3488 7.3954 7.3954 10.8607 10.8607 11.1747 11.1747 11.1991 11.1991 11.3648 11.3648 11.7382 11.7382 11.8415 11.8415 13.1676 13.1676 13.6174 13.6174 13.6248 13.6248 k = 0.7826-0.1975-0.1302 ( 3381 PWs) bands (ev): -54.1686 -54.1686 -54.1675 -54.1675 -28.5916 -28.5916 -28.5826 -28.5826 -27.8077 -27.8077 -27.7972 -27.7972 -27.6965 -27.6965 -27.6902 -27.6902 -10.6922 -10.6922 -10.6740 -10.6740 -9.7916 -9.7916 -9.3778 -9.3778 -9.3574 -9.3574 -9.2877 -9.2877 1.4368 1.4368 2.3288 2.3288 2.5851 2.5851 3.0648 3.0648 3.3764 3.3764 3.5360 3.5360 3.6420 3.6420 3.9978 3.9978 4.8039 4.8039 4.8716 4.8716 5.7706 5.7706 5.8374 5.8374 6.0002 6.0002 6.2076 6.2076 6.4165 6.4165 6.8841 6.8841 7.3317 7.3317 7.4043 7.4043 10.8483 10.8483 11.1627 11.1627 11.1889 11.1889 11.3631 11.3631 11.7457 11.7457 11.8474 11.8474 13.1662 13.1662 13.6153 13.6153 13.6245 13.6245 Writing output data file VBO3.save init_run : 0.62s CPU 1.11s WALL ( 1 calls) electrons : 418.89s CPU 425.08s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.14s WALL ( 1 calls) potinit : 0.06s CPU 0.10s WALL ( 1 calls) Called by electrons: c_bands : 418.87s CPU 425.06s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.02s WALL ( 1 calls) newd : 0.10s CPU 0.15s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.08s WALL ( 291 calls) cegterg : 395.81s CPU 400.23s WALL ( 763 calls) Called by sum_band: Called by *egterg: h_psi : 204.20s CPU 206.90s WALL ( 13099 calls) s_psi : 9.59s CPU 9.84s WALL ( 13099 calls) g_psi : 0.36s CPU 0.37s WALL ( 12045 calls) cdiaghg : 162.51s CPU 164.12s WALL ( 12336 calls) cegterg:over : 14.02s CPU 13.98s WALL ( 12045 calls) cegterg:upda : 12.06s CPU 12.22s WALL ( 12045 calls) cegterg:last : 5.74s CPU 5.80s WALL ( 1626 calls) cdiaghg:chol : 9.44s CPU 9.48s WALL ( 12336 calls) cdiaghg:inve : 7.08s CPU 6.94s WALL ( 12336 calls) cdiaghg:para : 11.69s CPU 11.83s WALL ( 24672 calls) Called by h_psi: h_psi:vloc : 178.67s CPU 181.08s WALL ( 13099 calls) h_psi:vnl : 25.12s CPU 25.38s WALL ( 13099 calls) add_vuspsi : 12.72s CPU 12.74s WALL ( 13099 calls) General routines calbec : 12.34s CPU 12.60s WALL ( 13099 calls) fft : 0.03s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 153.49s CPU 155.56s WALL ( 1536692 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.21s CPU 0.34s WALL ( 582 calls) Parallel routines fft_scatter : 50.26s CPU 50.49s WALL ( 1536715 calls) PWSCF : 7m18.01s CPU 8m 4.63s WALL This run was terminated on: 16: 4:13 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=