Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:28:36 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: ./LiCoO2.save/ 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 43 43 12 849 849 133 Max 44 44 13 853 853 136 Sum 1571 1571 459 30627 30627 4837 bravais-lattice index = 14 lattice parameter (alat) = 9.3689 a.u. unit-cell volume = 216.9144 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 412.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.368928 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.838808 celldm(5)= 0.838808 celldm(6)= 0.838808 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.838808 0.544428 0.000000 ) a(3) = ( 0.838808 0.248351 0.484483 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.540713 -0.941560 ) b(2) = ( 0.000000 1.836790 -0.941560 ) b(3) = ( 0.000000 0.000000 2.064057 ) 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 Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 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 Co read from file: /users/gautes/Pseudo/Co.rel-pbe-oncvpsp.UPF MD5 check sum: 638ceb3e57836b9ea4bada7149e48805 Pseudo is Norm-conserving, Zval = 17.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 1388 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 atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Li 3.00 6.94100 Li( 1.00) Co 17.00 58.93320 Co( 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= 429 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023310 k( 2) = ( 0.0075758 -0.0116721 -0.0071330), wk = 0.0023310 k( 3) = ( 0.0151515 -0.0233442 -0.0142661), wk = 0.0023310 k( 4) = ( 0.0227273 -0.0350162 -0.0213991), wk = 0.0023310 k( 5) = ( 0.0303030 -0.0466883 -0.0285321), wk = 0.0023310 k( 6) = ( 0.0378788 -0.0583604 -0.0356651), wk = 0.0023310 k( 7) = ( 0.0454546 -0.0700324 -0.0427982), wk = 0.0023310 k( 8) = ( 0.0530303 -0.0817045 -0.0499312), wk = 0.0023310 k( 9) = ( 0.0606061 -0.0933766 -0.0570642), wk = 0.0023310 k( 10) = ( 0.0681818 -0.1050486 -0.0641972), wk = 0.0023310 k( 11) = ( 0.0757576 -0.1167207 -0.0713303), wk = 0.0023310 k( 12) = ( 0.0833333 -0.1283928 -0.0784633), wk = 0.0023310 k( 13) = ( 0.0909091 -0.1400649 -0.0855963), wk = 0.0023310 k( 14) = ( 0.0984848 -0.1517369 -0.0927294), wk = 0.0023310 k( 15) = ( 0.1060606 -0.1634090 -0.0998624), wk = 0.0023310 k( 16) = ( 0.1136364 -0.1750811 -0.1069954), wk = 0.0023310 k( 17) = ( 0.1212121 -0.1867531 -0.1141284), wk = 0.0023310 k( 18) = ( 0.1287879 -0.1984252 -0.1212615), wk = 0.0023310 k( 19) = ( 0.1363636 -0.2100973 -0.1283945), wk = 0.0023310 k( 20) = ( 0.1439394 -0.2217694 -0.1355275), wk = 0.0023310 k( 21) = ( 0.1515151 -0.2334414 -0.1426605), wk = 0.0023310 k( 22) = ( 0.1590909 -0.2451135 -0.1497936), wk = 0.0023310 k( 23) = ( 0.1666667 -0.2567856 -0.1569266), wk = 0.0023310 k( 24) = ( 0.1742424 -0.2684576 -0.1640596), wk = 0.0023310 k( 25) = ( 0.1818182 -0.2801297 -0.1711926), wk = 0.0023310 k( 26) = ( 0.1893939 -0.2918018 -0.1783257), wk = 0.0023310 k( 27) = ( 0.1969697 -0.3034739 -0.1854587), wk = 0.0023310 k( 28) = ( 0.2045454 -0.3151459 -0.1925917), wk = 0.0023310 k( 29) = ( 0.2121212 -0.3268180 -0.1997248), wk = 0.0023310 k( 30) = ( 0.2196970 -0.3384901 -0.2068578), wk = 0.0023310 k( 31) = ( 0.2272727 -0.3501621 -0.2139908), wk = 0.0023310 k( 32) = ( 0.2348485 -0.3618342 -0.2211238), wk = 0.0023310 k( 33) = ( 0.2424242 -0.3735063 -0.2282569), wk = 0.0023310 k( 34) = ( 0.2500000 -0.3851784 -0.2353899), wk = 0.0023310 k( 35) = ( 0.2575758 -0.3968504 -0.2425229), wk = 0.0023310 k( 36) = ( 0.2651515 -0.4085225 -0.2496559), wk = 0.0023310 k( 37) = ( 0.2727273 -0.4201946 -0.2567890), wk = 0.0023310 k( 38) = ( 0.2803030 -0.4318666 -0.2639220), wk = 0.0023310 k( 39) = ( 0.2878788 -0.4435387 -0.2710550), wk = 0.0023310 k( 40) = ( 0.2954545 -0.4552108 -0.2781881), wk = 0.0023310 k( 41) = ( 0.3030303 -0.4668829 -0.2853211), wk = 0.0023310 k( 42) = ( 0.3106061 -0.4785549 -0.2924541), wk = 0.0023310 k( 43) = ( 0.3181818 -0.4902270 -0.2995871), wk = 0.0023310 k( 44) = ( 0.3257576 -0.5018991 -0.3067202), wk = 0.0023310 k( 45) = ( 0.3333333 -0.5135711 -0.3138532), wk = 0.0023310 k( 46) = ( 0.3409091 -0.5252432 -0.3209862), wk = 0.0023310 k( 47) = ( 0.3484849 -0.5369153 -0.3281192), wk = 0.0023310 k( 48) = ( 0.3560606 -0.5485874 -0.3352523), wk = 0.0023310 k( 49) = ( 0.3636364 -0.5602594 -0.3423853), wk = 0.0023310 k( 50) = ( 0.3712121 -0.5719315 -0.3495183), wk = 0.0023310 k( 51) = ( 0.3787879 -0.5836036 -0.3566513), wk = 0.0023310 k( 52) = ( 0.3863636 -0.5952757 -0.3637844), wk = 0.0023310 k( 53) = ( 0.3939394 -0.6069477 -0.3709174), wk = 0.0023310 k( 54) = ( 0.4015151 -0.6186198 -0.3780504), wk = 0.0023310 k( 55) = ( 0.4090909 -0.6302919 -0.3851835), wk = 0.0023310 k( 56) = ( 0.4166667 -0.6419639 -0.3923165), wk = 0.0023310 k( 57) = ( 0.4242424 -0.6536360 -0.3994495), wk = 0.0023310 k( 58) = ( 0.4318182 -0.6653081 -0.4065825), wk = 0.0023310 k( 59) = ( 0.4393939 -0.6769801 -0.4137156), wk = 0.0023310 k( 60) = ( 0.4469697 -0.6886522 -0.4208486), wk = 0.0023310 k( 61) = ( 0.4545455 -0.7003243 -0.4279816), wk = 0.0023310 k( 62) = ( 0.4621212 -0.7119964 -0.4351146), wk = 0.0023310 k( 63) = ( 0.4696970 -0.7236684 -0.4422477), wk = 0.0023310 k( 64) = ( 0.4772727 -0.7353405 -0.4493807), wk = 0.0023310 k( 65) = ( 0.4848485 -0.7470126 -0.4565137), wk = 0.0023310 k( 66) = ( 0.4924242 -0.7586846 -0.4636467), wk = 0.0023310 k( 67) = ( 0.5000000 -0.7703567 -0.4707798), wk = 0.0023310 k( 68) = ( 0.5000000 -0.7703567 -0.4707798), wk = 0.0023310 k( 69) = ( 0.5000000 -0.7621903 -0.4841428), wk = 0.0023310 k( 70) = ( 0.5000000 -0.7540239 -0.4975059), wk = 0.0023310 k( 71) = ( 0.5000000 -0.7458574 -0.5108690), wk = 0.0023310 k( 72) = ( 0.5000000 -0.7376910 -0.5242321), wk = 0.0023310 k( 73) = ( 0.5000000 -0.7295246 -0.5375951), wk = 0.0023310 k( 74) = ( 0.5000000 -0.7213582 -0.5509582), wk = 0.0023310 k( 75) = ( 0.5000000 -0.7131917 -0.5643212), wk = 0.0023310 k( 76) = ( 0.5000000 -0.7050253 -0.5776843), wk = 0.0023310 k( 77) = ( 0.5000000 -0.6968589 -0.5910474), wk = 0.0023310 k( 78) = ( 0.5000000 -0.6886924 -0.6044105), wk = 0.0023310 k( 79) = ( 0.5000000 -0.6805260 -0.6177735), wk = 0.0023310 k( 80) = ( 0.5000000 -0.6723596 -0.6311366), wk = 0.0023310 k( 81) = ( 0.5000000 -0.6641932 -0.6444996), wk = 0.0023310 k( 82) = ( 0.5000000 -0.6560267 -0.6578627), wk = 0.0023310 k( 83) = ( 0.5000000 -0.6478603 -0.6712258), wk = 0.0023310 k( 84) = ( 0.5000000 -0.6396939 -0.6845889), wk = 0.0023310 k( 85) = ( 0.5000000 -0.6315275 -0.6979519), wk = 0.0023310 k( 86) = ( 0.5000000 -0.6233610 -0.7113150), wk = 0.0023310 k( 87) = ( 0.5000000 -0.6151946 -0.7246781), wk = 0.0023310 k( 88) = ( 0.5000000 -0.6070282 -0.7380411), wk = 0.0023310 k( 89) = ( 0.5000000 -0.5988617 -0.7514042), wk = 0.0023310 k( 90) = ( 0.5000000 -0.5906953 -0.7647673), wk = 0.0023310 k( 91) = ( 0.5000000 -0.5825289 -0.7781303), wk = 0.0023310 k( 92) = ( 0.5000000 -0.5743625 -0.7914934), wk = 0.0023310 k( 93) = ( 0.5000000 -0.5661960 -0.8048565), wk = 0.0023310 k( 94) = ( 0.5000000 -0.5580296 -0.8182196), wk = 0.0023310 k( 95) = ( 0.5000000 -0.5498632 -0.8315826), wk = 0.0023310 k( 96) = ( 0.5000000 -0.5416968 -0.8449457), wk = 0.0023310 k( 97) = ( 0.5000000 -0.5335303 -0.8583087), wk = 0.0023310 k( 98) = ( 0.5000000 -0.5253639 -0.8716718), wk = 0.0023310 k( 99) = ( 0.5000000 -0.5171975 -0.8850349), wk = 0.0023310 k( 100) = ( 0.5000000 -0.5090310 -0.8983980), wk = 0.0023310 k( 101) = ( 0.5000000 -0.5008646 -0.9117610), wk = 0.0023310 k( 102) = ( 0.5000000 -0.4926982 -0.9251241), wk = 0.0023310 k( 103) = ( 0.5000000 -0.4845318 -0.9384871), wk = 0.0023310 k( 104) = ( 0.5000000 -0.4763653 -0.9518502), wk = 0.0023310 k( 105) = ( 0.5000000 -0.4681989 -0.9652133), wk = 0.0023310 k( 106) = ( 0.5000000 -0.4600325 -0.9785764), wk = 0.0023310 k( 107) = ( 0.5000000 -0.4518661 -0.9919394), wk = 0.0023310 k( 108) = ( 0.5000000 -0.4436996 -1.0053025), wk = 0.0023310 k( 109) = ( 0.5000000 -0.4355332 -1.0186655), wk = 0.0023310 k( 110) = ( 0.5000000 -0.4273668 -1.0320286), wk = 0.0023310 k( 111) = ( 0.8132667 -0.3346158 -0.8510905), wk = 0.0023310 k( 112) = ( 0.8087914 -0.3277208 -0.8376396), wk = 0.0023310 k( 113) = ( 0.8043162 -0.3208257 -0.8241888), wk = 0.0023310 k( 114) = ( 0.7998409 -0.3139306 -0.8107379), wk = 0.0023310 k( 115) = ( 0.7953657 -0.3070356 -0.7972871), wk = 0.0023310 k( 116) = ( 0.7908905 -0.3001405 -0.7838362), wk = 0.0023310 k( 117) = ( 0.7864152 -0.2932455 -0.7703854), wk = 0.0023310 k( 118) = ( 0.7819400 -0.2863504 -0.7569345), wk = 0.0023310 k( 119) = ( 0.7774648 -0.2794554 -0.7434837), wk = 0.0023310 k( 120) = ( 0.7729895 -0.2725603 -0.7300328), wk = 0.0023310 k( 121) = ( 0.7685143 -0.2656652 -0.7165820), wk = 0.0023310 k( 122) = ( 0.7640391 -0.2587702 -0.7031311), wk = 0.0023310 k( 123) = ( 0.7595638 -0.2518751 -0.6896803), wk = 0.0023310 k( 124) = ( 0.7550886 -0.2449801 -0.6762294), wk = 0.0023310 k( 125) = ( 0.7506133 -0.2380850 -0.6627786), wk = 0.0023310 k( 126) = ( 0.7461381 -0.2311899 -0.6493277), wk = 0.0023310 k( 127) = ( 0.7416629 -0.2242949 -0.6358769), wk = 0.0023310 k( 128) = ( 0.7371876 -0.2173998 -0.6224260), wk = 0.0023310 k( 129) = ( 0.7327124 -0.2105048 -0.6089752), wk = 0.0023310 k( 130) = ( 0.7282371 -0.2036097 -0.5955243), wk = 0.0023310 k( 131) = ( 0.7237619 -0.1967146 -0.5820735), wk = 0.0023310 k( 132) = ( 0.7192867 -0.1898196 -0.5686226), wk = 0.0023310 k( 133) = ( 0.7148114 -0.1829245 -0.5551718), wk = 0.0023310 k( 134) = ( 0.7103362 -0.1760295 -0.5417209), wk = 0.0023310 k( 135) = ( 0.7058610 -0.1691344 -0.5282701), wk = 0.0023310 k( 136) = ( 0.7013857 -0.1622393 -0.5148192), wk = 0.0023310 k( 137) = ( 0.6969105 -0.1553443 -0.5013684), wk = 0.0023310 k( 138) = ( 0.6924352 -0.1484492 -0.4879175), wk = 0.0023310 k( 139) = ( 0.6879600 -0.1415542 -0.4744667), wk = 0.0023310 k( 140) = ( 0.6834848 -0.1346591 -0.4610158), wk = 0.0023310 k( 141) = ( 0.6790095 -0.1277640 -0.4475650), wk = 0.0023310 k( 142) = ( 0.6745343 -0.1208690 -0.4341141), wk = 0.0023310 k( 143) = ( 0.6700590 -0.1139739 -0.4206633), wk = 0.0023310 k( 144) = ( 0.6655838 -0.1070789 -0.4072124), wk = 0.0023310 k( 145) = ( 0.6611086 -0.1001838 -0.3937616), wk = 0.0023310 k( 146) = ( 0.6566333 -0.0932887 -0.3803107), wk = 0.0023310 k( 147) = ( 0.6521581 -0.0863937 -0.3668599), wk = 0.0023310 k( 148) = ( 0.6476829 -0.0794986 -0.3534090), wk = 0.0023310 k( 149) = ( 0.6432076 -0.0726036 -0.3399582), wk = 0.0023310 k( 150) = ( 0.6387324 -0.0657085 -0.3265073), wk = 0.0023310 k( 151) = ( 0.6342571 -0.0588134 -0.3130564), wk = 0.0023310 k( 152) = ( 0.6297819 -0.0519184 -0.2996056), wk = 0.0023310 k( 153) = ( 0.6253067 -0.0450233 -0.2861548), wk = 0.0023310 k( 154) = ( 0.6208314 -0.0381283 -0.2727039), wk = 0.0023310 k( 155) = ( 0.6163562 -0.0312332 -0.2592531), wk = 0.0023310 k( 156) = ( 0.6118809 -0.0243381 -0.2458022), wk = 0.0023310 k( 157) = ( 0.6074057 -0.0174431 -0.2323513), wk = 0.0023310 k( 158) = ( 0.6029305 -0.0105480 -0.2189005), wk = 0.0023310 k( 159) = ( 0.5984552 -0.0036530 -0.2054497), wk = 0.0023310 k( 160) = ( 0.5939800 0.0032421 -0.1919988), wk = 0.0023310 k( 161) = ( 0.5895048 0.0101371 -0.1785479), wk = 0.0023310 k( 162) = ( 0.5850295 0.0170322 -0.1650971), wk = 0.0023310 k( 163) = ( 0.5805543 0.0239273 -0.1516463), wk = 0.0023310 k( 164) = ( 0.5760791 0.0308223 -0.1381954), wk = 0.0023310 k( 165) = ( 0.5716038 0.0377174 -0.1247445), wk = 0.0023310 k( 166) = ( 0.5671286 0.0446124 -0.1112937), wk = 0.0023310 k( 167) = ( 0.5626533 0.0515075 -0.0978428), wk = 0.0023310 k( 168) = ( 0.5581781 0.0584026 -0.0843920), wk = 0.0023310 k( 169) = ( 0.5537029 0.0652976 -0.0709412), wk = 0.0023310 k( 170) = ( 0.5492276 0.0721927 -0.0574903), wk = 0.0023310 k( 171) = ( 0.5447524 0.0790877 -0.0440394), wk = 0.0023310 k( 172) = ( 0.5402771 0.0859828 -0.0305886), wk = 0.0023310 k( 173) = ( 0.5358019 0.0928779 -0.0171377), wk = 0.0023310 k( 174) = ( 0.5313267 0.0997729 -0.0036869), wk = 0.0023310 k( 175) = ( 0.5268514 0.1066680 0.0097640), wk = 0.0023310 k( 176) = ( 0.5223762 0.1135630 0.0232148), wk = 0.0023310 k( 177) = ( 0.5179010 0.1204581 0.0366657), wk = 0.0023310 k( 178) = ( 0.5134257 0.1273532 0.0501165), wk = 0.0023310 k( 179) = ( 0.5089505 0.1342482 0.0635674), wk = 0.0023310 k( 180) = ( 0.5044752 0.1411433 0.0770182), wk = 0.0023310 k( 181) = ( 0.5000000 0.1480383 0.0904691), wk = 0.0023310 k( 182) = ( 0.5000000 0.1480383 0.0904691), wk = 0.0023310 k( 183) = ( 0.4852941 0.1436843 0.0878082), wk = 0.0023310 k( 184) = ( 0.4705882 0.1393302 0.0851474), wk = 0.0023310 k( 185) = ( 0.4558823 0.1349761 0.0824865), wk = 0.0023310 k( 186) = ( 0.4411765 0.1306221 0.0798256), wk = 0.0023310 k( 187) = ( 0.4264706 0.1262680 0.0771648), wk = 0.0023310 k( 188) = ( 0.4117647 0.1219139 0.0745039), wk = 0.0023310 k( 189) = ( 0.3970588 0.1175599 0.0718431), wk = 0.0023310 k( 190) = ( 0.3823529 0.1132058 0.0691822), wk = 0.0023310 k( 191) = ( 0.3676471 0.1088517 0.0665214), wk = 0.0023310 k( 192) = ( 0.3529412 0.1044976 0.0638605), wk = 0.0023310 k( 193) = ( 0.3382353 0.1001436 0.0611997), wk = 0.0023310 k( 194) = ( 0.3235294 0.0957895 0.0585388), wk = 0.0023310 k( 195) = ( 0.3088235 0.0914354 0.0558780), wk = 0.0023310 k( 196) = ( 0.2941177 0.0870814 0.0532171), wk = 0.0023310 k( 197) = ( 0.2794118 0.0827273 0.0505562), wk = 0.0023310 k( 198) = ( 0.2647059 0.0783732 0.0478954), wk = 0.0023310 k( 199) = ( 0.2500000 0.0740192 0.0452345), wk = 0.0023310 k( 200) = ( 0.2352941 0.0696651 0.0425737), wk = 0.0023310 k( 201) = ( 0.2205882 0.0653110 0.0399128), wk = 0.0023310 k( 202) = ( 0.2058823 0.0609570 0.0372520), wk = 0.0023310 k( 203) = ( 0.1911765 0.0566029 0.0345911), wk = 0.0023310 k( 204) = ( 0.1764706 0.0522488 0.0319303), wk = 0.0023310 k( 205) = ( 0.1617647 0.0478948 0.0292694), wk = 0.0023310 k( 206) = ( 0.1470588 0.0435407 0.0266085), wk = 0.0023310 k( 207) = ( 0.1323529 0.0391866 0.0239477), wk = 0.0023310 k( 208) = ( 0.1176471 0.0348325 0.0212868), wk = 0.0023310 k( 209) = ( 0.1029412 0.0304785 0.0186260), wk = 0.0023310 k( 210) = ( 0.0882353 0.0261244 0.0159651), wk = 0.0023310 k( 211) = ( 0.0735294 0.0217703 0.0133043), wk = 0.0023310 k( 212) = ( 0.0588235 0.0174163 0.0106434), wk = 0.0023310 k( 213) = ( 0.0441177 0.0130622 0.0079826), wk = 0.0023310 k( 214) = ( 0.0294118 0.0087081 0.0053217), wk = 0.0023310 k( 215) = ( 0.0147059 0.0043541 0.0026609), wk = 0.0023310 k( 216) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023310 k( 217) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023310 k( 218) = ( 0.0044593 -0.0068705 -0.0134030), wk = 0.0023310 k( 219) = ( 0.0089186 -0.0137410 -0.0268059), wk = 0.0023310 k( 220) = ( 0.0133779 -0.0206115 -0.0402089), wk = 0.0023310 k( 221) = ( 0.0178372 -0.0274821 -0.0536119), wk = 0.0023310 k( 222) = ( 0.0222965 -0.0343526 -0.0670149), wk = 0.0023310 k( 223) = ( 0.0267558 -0.0412231 -0.0804178), wk = 0.0023310 k( 224) = ( 0.0312152 -0.0480936 -0.0938208), wk = 0.0023310 k( 225) = ( 0.0356745 -0.0549641 -0.1072238), wk = 0.0023310 k( 226) = ( 0.0401338 -0.0618346 -0.1206267), wk = 0.0023310 k( 227) = ( 0.0445931 -0.0687051 -0.1340297), wk = 0.0023310 k( 228) = ( 0.0490524 -0.0755757 -0.1474327), wk = 0.0023310 k( 229) = ( 0.0535117 -0.0824462 -0.1608356), wk = 0.0023310 k( 230) = ( 0.0579710 -0.0893167 -0.1742386), wk = 0.0023310 k( 231) = ( 0.0624303 -0.0961872 -0.1876416), wk = 0.0023310 k( 232) = ( 0.0668896 -0.1030577 -0.2010445), wk = 0.0023310 k( 233) = ( 0.0713489 -0.1099282 -0.2144475), wk = 0.0023310 k( 234) = ( 0.0758082 -0.1167988 -0.2278505), wk = 0.0023310 k( 235) = ( 0.0802675 -0.1236693 -0.2412534), wk = 0.0023310 k( 236) = ( 0.0847268 -0.1305398 -0.2546564), wk = 0.0023310 k( 237) = ( 0.0891862 -0.1374103 -0.2680594), wk = 0.0023310 k( 238) = ( 0.0936455 -0.1442808 -0.2814623), wk = 0.0023310 k( 239) = ( 0.0981048 -0.1511513 -0.2948653), wk = 0.0023310 k( 240) = ( 0.1025641 -0.1580218 -0.3082683), wk = 0.0023310 k( 241) = ( 0.1070234 -0.1648924 -0.3216713), wk = 0.0023310 k( 242) = ( 0.1114827 -0.1717629 -0.3350742), wk = 0.0023310 k( 243) = ( 0.1159420 -0.1786334 -0.3484772), wk = 0.0023310 k( 244) = ( 0.1204013 -0.1855039 -0.3618802), wk = 0.0023310 k( 245) = ( 0.1248606 -0.1923744 -0.3752831), wk = 0.0023310 k( 246) = ( 0.1293199 -0.1992449 -0.3886861), wk = 0.0023310 k( 247) = ( 0.1337792 -0.2061154 -0.4020891), wk = 0.0023310 k( 248) = ( 0.1382385 -0.2129860 -0.4154920), wk = 0.0023310 k( 249) = ( 0.1426978 -0.2198565 -0.4288950), wk = 0.0023310 k( 250) = ( 0.1471571 -0.2267270 -0.4422980), wk = 0.0023310 k( 251) = ( 0.1516165 -0.2335975 -0.4557009), wk = 0.0023310 k( 252) = ( 0.1560758 -0.2404680 -0.4691039), wk = 0.0023310 k( 253) = ( 0.1605351 -0.2473385 -0.4825069), wk = 0.0023310 k( 254) = ( 0.1649944 -0.2542090 -0.4959098), wk = 0.0023310 k( 255) = ( 0.1694537 -0.2610796 -0.5093128), wk = 0.0023310 k( 256) = ( 0.1739130 -0.2679501 -0.5227158), wk = 0.0023310 k( 257) = ( 0.1783723 -0.2748206 -0.5361188), wk = 0.0023310 k( 258) = ( 0.1828316 -0.2816911 -0.5495217), wk = 0.0023310 k( 259) = ( 0.1872909 -0.2885616 -0.5629247), wk = 0.0023310 k( 260) = ( 0.1917502 -0.2954321 -0.5763277), wk = 0.0023310 k( 261) = ( 0.1962095 -0.3023026 -0.5897306), wk = 0.0023310 k( 262) = ( 0.2006688 -0.3091732 -0.6031336), wk = 0.0023310 k( 263) = ( 0.2051281 -0.3160437 -0.6165366), wk = 0.0023310 k( 264) = ( 0.2095875 -0.3229142 -0.6299396), wk = 0.0023310 k( 265) = ( 0.2140468 -0.3297847 -0.6433425), wk = 0.0023310 k( 266) = ( 0.2185061 -0.3366552 -0.6567455), wk = 0.0023310 k( 267) = ( 0.2229654 -0.3435257 -0.6701485), wk = 0.0023310 k( 268) = ( 0.2274247 -0.3503963 -0.6835514), wk = 0.0023310 k( 269) = ( 0.2318840 -0.3572668 -0.6969544), wk = 0.0023310 k( 270) = ( 0.2363433 -0.3641373 -0.7103574), wk = 0.0023310 k( 271) = ( 0.2408026 -0.3710078 -0.7237603), wk = 0.0023310 k( 272) = ( 0.2452619 -0.3778783 -0.7371633), wk = 0.0023310 k( 273) = ( 0.2497212 -0.3847488 -0.7505663), wk = 0.0023310 k( 274) = ( 0.2541805 -0.3916193 -0.7639692), wk = 0.0023310 k( 275) = ( 0.2586398 -0.3984899 -0.7773722), wk = 0.0023310 k( 276) = ( 0.2630991 -0.4053604 -0.7907752), wk = 0.0023310 k( 277) = ( 0.2675584 -0.4122309 -0.8041781), wk = 0.0023310 k( 278) = ( 0.2720178 -0.4191014 -0.8175811), wk = 0.0023310 k( 279) = ( 0.2764771 -0.4259719 -0.8309841), wk = 0.0023310 k( 280) = ( 0.2809364 -0.4328424 -0.8443870), wk = 0.0023310 k( 281) = ( 0.2853957 -0.4397129 -0.8577900), wk = 0.0023310 k( 282) = ( 0.2898550 -0.4465835 -0.8711930), wk = 0.0023310 k( 283) = ( 0.2943143 -0.4534540 -0.8845960), wk = 0.0023310 k( 284) = ( 0.2987736 -0.4603245 -0.8979989), wk = 0.0023310 k( 285) = ( 0.3032329 -0.4671950 -0.9114019), wk = 0.0023310 k( 286) = ( 0.3076922 -0.4740655 -0.9248049), wk = 0.0023310 k( 287) = ( 0.3121515 -0.4809360 -0.9382079), wk = 0.0023310 k( 288) = ( 0.3166108 -0.4878065 -0.9516108), wk = 0.0023310 k( 289) = ( 0.3210701 -0.4946771 -0.9650138), wk = 0.0023310 k( 290) = ( 0.3255294 -0.5015476 -0.9784168), wk = 0.0023310 k( 291) = ( 0.3299887 -0.5084181 -0.9918197), wk = 0.0023310 k( 292) = ( 0.3344480 -0.5152886 -1.0052227), wk = 0.0023310 k( 293) = ( 0.3389074 -0.5221591 -1.0186257), wk = 0.0023310 k( 294) = ( 0.3433667 -0.5290296 -1.0320286), wk = 0.0023310 k( 295) = ( 0.6566333 -0.3809913 -0.9415596), wk = 0.0023310 k( 296) = ( 0.6521581 -0.3658762 -0.9415596), wk = 0.0023310 k( 297) = ( 0.6476829 -0.3507610 -0.9415596), wk = 0.0023310 k( 298) = ( 0.6432076 -0.3356459 -0.9415596), wk = 0.0023310 k( 299) = ( 0.6387324 -0.3205308 -0.9415596), wk = 0.0023310 k( 300) = ( 0.6342571 -0.3054156 -0.9415596), wk = 0.0023310 k( 301) = ( 0.6297819 -0.2903005 -0.9415596), wk = 0.0023310 k( 302) = ( 0.6253067 -0.2751854 -0.9415596), wk = 0.0023310 k( 303) = ( 0.6208314 -0.2600702 -0.9415596), wk = 0.0023310 k( 304) = ( 0.6163562 -0.2449551 -0.9415596), wk = 0.0023310 k( 305) = ( 0.6118809 -0.2298400 -0.9415596), wk = 0.0023310 k( 306) = ( 0.6074057 -0.2147248 -0.9415596), wk = 0.0023310 k( 307) = ( 0.6029305 -0.1996097 -0.9415596), wk = 0.0023310 k( 308) = ( 0.5984552 -0.1844946 -0.9415596), wk = 0.0023310 k( 309) = ( 0.5939800 -0.1693794 -0.9415596), wk = 0.0023310 k( 310) = ( 0.5895048 -0.1542643 -0.9415596), wk = 0.0023310 k( 311) = ( 0.5850295 -0.1391492 -0.9415596), wk = 0.0023310 k( 312) = ( 0.5805543 -0.1240341 -0.9415596), wk = 0.0023310 k( 313) = ( 0.5760791 -0.1089189 -0.9415596), wk = 0.0023310 k( 314) = ( 0.5716038 -0.0938038 -0.9415596), wk = 0.0023310 k( 315) = ( 0.5671286 -0.0786886 -0.9415596), wk = 0.0023310 k( 316) = ( 0.5626533 -0.0635735 -0.9415596), wk = 0.0023310 k( 317) = ( 0.5581781 -0.0484584 -0.9415596), wk = 0.0023310 k( 318) = ( 0.5537029 -0.0333433 -0.9415596), wk = 0.0023310 k( 319) = ( 0.5492276 -0.0182281 -0.9415596), wk = 0.0023310 k( 320) = ( 0.5447524 -0.0031130 -0.9415596), wk = 0.0023310 k( 321) = ( 0.5402771 0.0120022 -0.9415596), wk = 0.0023310 k( 322) = ( 0.5358019 0.0271173 -0.9415596), wk = 0.0023310 k( 323) = ( 0.5313267 0.0422324 -0.9415596), wk = 0.0023310 k( 324) = ( 0.5268514 0.0573475 -0.9415596), wk = 0.0023310 k( 325) = ( 0.5223762 0.0724627 -0.9415596), wk = 0.0023310 k( 326) = ( 0.5179010 0.0875778 -0.9415596), wk = 0.0023310 k( 327) = ( 0.5134257 0.1026930 -0.9415596), wk = 0.0023310 k( 328) = ( 0.5089505 0.1178081 -0.9415596), wk = 0.0023310 k( 329) = ( 0.5044752 0.1329232 -0.9415596), wk = 0.0023310 k( 330) = ( 0.5000000 0.1480383 -0.9415596), wk = 0.0023310 k( 331) = ( 0.5000000 0.1480383 -0.9415596), wk = 0.0023310 k( 332) = ( 0.5130528 0.1519030 -0.9340205), wk = 0.0023310 k( 333) = ( 0.5261056 0.1557676 -0.9264814), wk = 0.0023310 k( 334) = ( 0.5391583 0.1596322 -0.9189423), wk = 0.0023310 k( 335) = ( 0.5522111 0.1634968 -0.9114032), wk = 0.0023310 k( 336) = ( 0.5652639 0.1673614 -0.9038641), wk = 0.0023310 k( 337) = ( 0.5783167 0.1712261 -0.8963250), wk = 0.0023310 k( 338) = ( 0.5913694 0.1750907 -0.8887859), wk = 0.0023310 k( 339) = ( 0.6044222 0.1789553 -0.8812468), wk = 0.0023310 k( 340) = ( 0.6174750 0.1828199 -0.8737078), wk = 0.0023310 k( 341) = ( 0.6305278 0.1866846 -0.8661687), wk = 0.0023310 k( 342) = ( 0.6435806 0.1905492 -0.8586296), wk = 0.0023310 k( 343) = ( 0.6566333 0.1944138 -0.8510905), wk = 0.0023310 k( 344) = ( 0.6566333 0.1944138 -0.8510905), wk = 0.0023310 k( 345) = ( 0.6540656 0.1936536 -0.8356551), wk = 0.0023310 k( 346) = ( 0.6514978 0.1928933 -0.8202197), wk = 0.0023310 k( 347) = ( 0.6489301 0.1921330 -0.8047843), wk = 0.0023310 k( 348) = ( 0.6463623 0.1913728 -0.7893489), wk = 0.0023310 k( 349) = ( 0.6437945 0.1906125 -0.7739135), wk = 0.0023310 k( 350) = ( 0.6412268 0.1898523 -0.7584781), wk = 0.0023310 k( 351) = ( 0.6386590 0.1890920 -0.7430427), wk = 0.0023310 k( 352) = ( 0.6360913 0.1883318 -0.7276073), wk = 0.0023310 k( 353) = ( 0.6335235 0.1875715 -0.7121719), wk = 0.0023310 k( 354) = ( 0.6309557 0.1868113 -0.6967365), wk = 0.0023310 k( 355) = ( 0.6283880 0.1860510 -0.6813011), wk = 0.0023310 k( 356) = ( 0.6258202 0.1852908 -0.6658657), wk = 0.0023310 k( 357) = ( 0.6232525 0.1845305 -0.6504303), wk = 0.0023310 k( 358) = ( 0.6206847 0.1837703 -0.6349949), wk = 0.0023310 k( 359) = ( 0.6181169 0.1830100 -0.6195594), wk = 0.0023310 k( 360) = ( 0.6155492 0.1822498 -0.6041240), wk = 0.0023310 k( 361) = ( 0.6129814 0.1814895 -0.5886886), wk = 0.0023310 k( 362) = ( 0.6104137 0.1807292 -0.5732532), wk = 0.0023310 k( 363) = ( 0.6078459 0.1799690 -0.5578178), wk = 0.0023310 k( 364) = ( 0.6052781 0.1792087 -0.5423824), wk = 0.0023310 k( 365) = ( 0.6027104 0.1784485 -0.5269470), wk = 0.0023310 k( 366) = ( 0.6001426 0.1776882 -0.5115116), wk = 0.0023310 k( 367) = ( 0.5975749 0.1769280 -0.4960762), wk = 0.0023310 k( 368) = ( 0.5950071 0.1761677 -0.4806408), wk = 0.0023310 k( 369) = ( 0.5924393 0.1754075 -0.4652054), wk = 0.0023310 k( 370) = ( 0.5898716 0.1746472 -0.4497700), wk = 0.0023310 k( 371) = ( 0.5873038 0.1738870 -0.4343346), wk = 0.0023310 k( 372) = ( 0.5847361 0.1731267 -0.4188992), wk = 0.0023310 k( 373) = ( 0.5821683 0.1723665 -0.4034638), wk = 0.0023310 k( 374) = ( 0.5796005 0.1716062 -0.3880284), wk = 0.0023310 k( 375) = ( 0.5770328 0.1708459 -0.3725930), wk = 0.0023310 k( 376) = ( 0.5744650 0.1700857 -0.3571576), wk = 0.0023310 k( 377) = ( 0.5718973 0.1693254 -0.3417222), wk = 0.0023310 k( 378) = ( 0.5693295 0.1685652 -0.3262868), wk = 0.0023310 k( 379) = ( 0.5667617 0.1678049 -0.3108514), wk = 0.0023310 k( 380) = ( 0.5641940 0.1670447 -0.2954160), wk = 0.0023310 k( 381) = ( 0.5616262 0.1662844 -0.2799806), wk = 0.0023310 k( 382) = ( 0.5590585 0.1655242 -0.2645452), wk = 0.0023310 k( 383) = ( 0.5564907 0.1647639 -0.2491098), wk = 0.0023310 k( 384) = ( 0.5539230 0.1640037 -0.2336744), wk = 0.0023310 k( 385) = ( 0.5513552 0.1632434 -0.2182390), wk = 0.0023310 k( 386) = ( 0.5487874 0.1624832 -0.2028036), wk = 0.0023310 k( 387) = ( 0.5462197 0.1617229 -0.1873682), wk = 0.0023310 k( 388) = ( 0.5436519 0.1609626 -0.1719328), wk = 0.0023310 k( 389) = ( 0.5410841 0.1602024 -0.1564974), wk = 0.0023310 k( 390) = ( 0.5385164 0.1594421 -0.1410620), wk = 0.0023310 k( 391) = ( 0.5359486 0.1586819 -0.1256266), wk = 0.0023310 k( 392) = ( 0.5333809 0.1579216 -0.1101912), wk = 0.0023310 k( 393) = ( 0.5308131 0.1571614 -0.0947558), wk = 0.0023310 k( 394) = ( 0.5282454 0.1564011 -0.0793204), wk = 0.0023310 k( 395) = ( 0.5256776 0.1556409 -0.0638850), wk = 0.0023310 k( 396) = ( 0.5231098 0.1548806 -0.0484496), wk = 0.0023310 k( 397) = ( 0.5205421 0.1541204 -0.0330142), wk = 0.0023310 k( 398) = ( 0.5179743 0.1533601 -0.0175787), wk = 0.0023310 k( 399) = ( 0.5154066 0.1525999 -0.0021433), wk = 0.0023310 k( 400) = ( 0.5128388 0.1518396 0.0132920), wk = 0.0023310 k( 401) = ( 0.5102710 0.1510793 0.0287274), wk = 0.0023310 k( 402) = ( 0.5077033 0.1503191 0.0441629), wk = 0.0023310 k( 403) = ( 0.5051355 0.1495588 0.0595983), wk = 0.0023310 k( 404) = ( 0.5025678 0.1487986 0.0750337), wk = 0.0023310 k( 405) = ( 0.5000000 0.1480383 0.0904691), wk = 0.0023310 k( 406) = ( 0.5000000 -0.7703567 -0.4707798), wk = 0.0023310 k( 407) = ( 0.5136203 -0.7639203 -0.4668463), wk = 0.0023310 k( 408) = ( 0.5272406 -0.7574838 -0.4629129), wk = 0.0023310 k( 409) = ( 0.5408609 -0.7510474 -0.4589795), wk = 0.0023310 k( 410) = ( 0.5544812 -0.7446109 -0.4550460), wk = 0.0023310 k( 411) = ( 0.5681015 -0.7381745 -0.4511126), wk = 0.0023310 k( 412) = ( 0.5817217 -0.7317380 -0.4471792), wk = 0.0023310 k( 413) = ( 0.5953420 -0.7253016 -0.4432457), wk = 0.0023310 k( 414) = ( 0.6089623 -0.7188651 -0.4393123), wk = 0.0023310 k( 415) = ( 0.6225826 -0.7124287 -0.4353788), wk = 0.0023310 k( 416) = ( 0.6362029 -0.7059922 -0.4314454), wk = 0.0023310 k( 417) = ( 0.6498232 -0.6995558 -0.4275120), wk = 0.0023310 k( 418) = ( 0.6634435 -0.6931193 -0.4235785), wk = 0.0023310 k( 419) = ( 0.6770638 -0.6866829 -0.4196451), wk = 0.0023310 k( 420) = ( 0.6906841 -0.6802464 -0.4157116), wk = 0.0023310 k( 421) = ( 0.7043044 -0.6738100 -0.4117782), wk = 0.0023310 k( 422) = ( 0.7179246 -0.6673735 -0.4078448), wk = 0.0023310 k( 423) = ( 0.7315449 -0.6609371 -0.4039113), wk = 0.0023310 k( 424) = ( 0.7451652 -0.6545006 -0.3999779), wk = 0.0023310 k( 425) = ( 0.7587855 -0.6480642 -0.3960445), wk = 0.0023310 k( 426) = ( 0.7724058 -0.6416277 -0.3921110), wk = 0.0023310 k( 427) = ( 0.7860261 -0.6351913 -0.3881776), wk = 0.0023310 k( 428) = ( 0.7996464 -0.6287548 -0.3842442), wk = 0.0023310 k( 429) = ( 0.8132667 -0.6223184 -0.3803107), wk = 0.0023310 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023310 k( 2) = ( 0.0075758 0.0000000 0.0000000), wk = 0.0023310 k( 3) = ( 0.0151515 0.0000000 0.0000000), wk = 0.0023310 k( 4) = ( 0.0227273 0.0000000 0.0000000), wk = 0.0023310 k( 5) = ( 0.0303030 -0.0000000 0.0000000), wk = 0.0023310 k( 6) = ( 0.0378788 -0.0000000 0.0000000), wk = 0.0023310 k( 7) = ( 0.0454546 -0.0000000 0.0000000), wk = 0.0023310 k( 8) = ( 0.0530303 0.0000000 0.0000000), wk = 0.0023310 k( 9) = ( 0.0606061 -0.0000000 0.0000000), wk = 0.0023310 k( 10) = ( 0.0681818 0.0000000 0.0000000), wk = 0.0023310 k( 11) = ( 0.0757576 -0.0000000 0.0000000), wk = 0.0023310 k( 12) = ( 0.0833333 0.0000000 0.0000000), wk = 0.0023310 k( 13) = ( 0.0909091 -0.0000000 -0.0000000), wk = 0.0023310 k( 14) = ( 0.0984848 -0.0000000 0.0000000), wk = 0.0023310 k( 15) = ( 0.1060606 0.0000000 0.0000000), wk = 0.0023310 k( 16) = ( 0.1136364 0.0000000 0.0000000), wk = 0.0023310 k( 17) = ( 0.1212121 -0.0000000 0.0000000), wk = 0.0023310 k( 18) = ( 0.1287879 0.0000000 -0.0000000), wk = 0.0023310 k( 19) = ( 0.1363636 0.0000000 0.0000000), wk = 0.0023310 k( 20) = ( 0.1439394 -0.0000000 0.0000000), wk = 0.0023310 k( 21) = ( 0.1515151 0.0000000 0.0000000), wk = 0.0023310 k( 22) = ( 0.1590909 0.0000000 0.0000000), wk = 0.0023310 k( 23) = ( 0.1666667 0.0000000 0.0000000), wk = 0.0023310 k( 24) = ( 0.1742424 0.0000000 -0.0000000), wk = 0.0023310 k( 25) = ( 0.1818182 -0.0000000 -0.0000000), wk = 0.0023310 k( 26) = ( 0.1893939 -0.0000000 -0.0000000), wk = 0.0023310 k( 27) = ( 0.1969697 -0.0000000 0.0000000), wk = 0.0023310 k( 28) = ( 0.2045454 -0.0000000 -0.0000000), wk = 0.0023310 k( 29) = ( 0.2121212 -0.0000000 0.0000000), wk = 0.0023310 k( 30) = ( 0.2196970 -0.0000000 0.0000000), wk = 0.0023310 k( 31) = ( 0.2272727 -0.0000000 0.0000000), wk = 0.0023310 k( 32) = ( 0.2348485 -0.0000000 -0.0000000), wk = 0.0023310 k( 33) = ( 0.2424242 -0.0000000 0.0000000), wk = 0.0023310 k( 34) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0023310 k( 35) = ( 0.2575758 0.0000000 -0.0000000), wk = 0.0023310 k( 36) = ( 0.2651515 -0.0000000 -0.0000000), wk = 0.0023310 k( 37) = ( 0.2727273 -0.0000000 0.0000000), wk = 0.0023310 k( 38) = ( 0.2803030 -0.0000000 0.0000000), wk = 0.0023310 k( 39) = ( 0.2878788 -0.0000000 0.0000000), wk = 0.0023310 k( 40) = ( 0.2954545 -0.0000000 0.0000000), wk = 0.0023310 k( 41) = ( 0.3030303 0.0000000 0.0000000), wk = 0.0023310 k( 42) = ( 0.3106061 -0.0000000 0.0000000), wk = 0.0023310 k( 43) = ( 0.3181818 0.0000000 0.0000000), wk = 0.0023310 k( 44) = ( 0.3257576 0.0000000 0.0000000), wk = 0.0023310 k( 45) = ( 0.3333333 -0.0000000 0.0000000), wk = 0.0023310 k( 46) = ( 0.3409091 0.0000000 0.0000000), wk = 0.0023310 k( 47) = ( 0.3484849 -0.0000000 -0.0000000), wk = 0.0023310 k( 48) = ( 0.3560606 0.0000000 0.0000000), wk = 0.0023310 k( 49) = ( 0.3636364 -0.0000000 -0.0000000), wk = 0.0023310 k( 50) = ( 0.3712121 0.0000000 0.0000000), wk = 0.0023310 k( 51) = ( 0.3787879 -0.0000000 -0.0000000), wk = 0.0023310 k( 52) = ( 0.3863636 0.0000000 0.0000000), wk = 0.0023310 k( 53) = ( 0.3939394 -0.0000000 0.0000000), wk = 0.0023310 k( 54) = ( 0.4015151 0.0000000 0.0000000), wk = 0.0023310 k( 55) = ( 0.4090909 -0.0000000 0.0000000), wk = 0.0023310 k( 56) = ( 0.4166667 0.0000000 0.0000000), wk = 0.0023310 k( 57) = ( 0.4242424 -0.0000000 0.0000000), wk = 0.0023310 k( 58) = ( 0.4318182 -0.0000000 0.0000000), wk = 0.0023310 k( 59) = ( 0.4393939 -0.0000000 0.0000000), wk = 0.0023310 k( 60) = ( 0.4469697 -0.0000000 0.0000000), wk = 0.0023310 k( 61) = ( 0.4545455 -0.0000000 0.0000000), wk = 0.0023310 k( 62) = ( 0.4621212 0.0000000 0.0000000), wk = 0.0023310 k( 63) = ( 0.4696970 0.0000000 -0.0000000), wk = 0.0023310 k( 64) = ( 0.4772727 -0.0000000 -0.0000000), wk = 0.0023310 k( 65) = ( 0.4848485 -0.0000000 0.0000000), wk = 0.0023310 k( 66) = ( 0.4924242 0.0000000 0.0000000), wk = 0.0023310 k( 67) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0023310 k( 68) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0023310 k( 69) = ( 0.5000000 0.0044460 -0.0044460), wk = 0.0023310 k( 70) = ( 0.5000000 0.0088921 -0.0088921), wk = 0.0023310 k( 71) = ( 0.5000000 0.0133381 -0.0133381), wk = 0.0023310 k( 72) = ( 0.5000000 0.0177841 -0.0177841), wk = 0.0023310 k( 73) = ( 0.5000000 0.0222302 -0.0222302), wk = 0.0023310 k( 74) = ( 0.5000000 0.0266762 -0.0266762), wk = 0.0023310 k( 75) = ( 0.5000000 0.0311222 -0.0311222), wk = 0.0023310 k( 76) = ( 0.5000000 0.0355683 -0.0355682), wk = 0.0023310 k( 77) = ( 0.5000000 0.0400143 -0.0400143), wk = 0.0023310 k( 78) = ( 0.5000000 0.0444603 -0.0444603), wk = 0.0023310 k( 79) = ( 0.5000000 0.0489063 -0.0489064), wk = 0.0023310 k( 80) = ( 0.5000000 0.0533524 -0.0533524), wk = 0.0023310 k( 81) = ( 0.5000000 0.0577984 -0.0577984), wk = 0.0023310 k( 82) = ( 0.5000000 0.0622444 -0.0622444), wk = 0.0023310 k( 83) = ( 0.5000000 0.0666905 -0.0666905), wk = 0.0023310 k( 84) = ( 0.5000000 0.0711365 -0.0711365), wk = 0.0023310 k( 85) = ( 0.5000000 0.0755825 -0.0755825), wk = 0.0023310 k( 86) = ( 0.5000000 0.0800286 -0.0800286), wk = 0.0023310 k( 87) = ( 0.5000000 0.0844746 -0.0844746), wk = 0.0023310 k( 88) = ( 0.5000000 0.0889206 -0.0889206), wk = 0.0023310 k( 89) = ( 0.5000000 0.0933667 -0.0933667), wk = 0.0023310 k( 90) = ( 0.5000000 0.0978127 -0.0978127), wk = 0.0023310 k( 91) = ( 0.5000000 0.1022587 -0.1022587), wk = 0.0023310 k( 92) = ( 0.5000000 0.1067048 -0.1067048), wk = 0.0023310 k( 93) = ( 0.5000000 0.1111508 -0.1111508), wk = 0.0023310 k( 94) = ( 0.5000000 0.1155968 -0.1155968), wk = 0.0023310 k( 95) = ( 0.5000000 0.1200429 -0.1200429), wk = 0.0023310 k( 96) = ( 0.5000000 0.1244889 -0.1244889), wk = 0.0023310 k( 97) = ( 0.5000000 0.1289349 -0.1289349), wk = 0.0023310 k( 98) = ( 0.5000000 0.1333809 -0.1333809), wk = 0.0023310 k( 99) = ( 0.5000000 0.1378270 -0.1378270), wk = 0.0023310 k( 100) = ( 0.5000000 0.1422730 -0.1422730), wk = 0.0023310 k( 101) = ( 0.5000000 0.1467191 -0.1467191), wk = 0.0023310 k( 102) = ( 0.5000000 0.1511651 -0.1511651), wk = 0.0023310 k( 103) = ( 0.5000000 0.1556111 -0.1556111), wk = 0.0023310 k( 104) = ( 0.5000000 0.1600571 -0.1600571), wk = 0.0023310 k( 105) = ( 0.5000000 0.1645032 -0.1645032), wk = 0.0023310 k( 106) = ( 0.5000000 0.1689492 -0.1689492), wk = 0.0023310 k( 107) = ( 0.5000000 0.1733952 -0.1733952), wk = 0.0023310 k( 108) = ( 0.5000000 0.1778413 -0.1778413), wk = 0.0023310 k( 109) = ( 0.5000000 0.1822873 -0.1822873), wk = 0.0023310 k( 110) = ( 0.5000000 0.1867333 -0.1867333), wk = 0.0023310 k( 111) = ( 0.8132667 0.5000000 0.1867333), wk = 0.0023310 k( 112) = ( 0.8087914 0.5000000 0.1912086), wk = 0.0023310 k( 113) = ( 0.8043162 0.5000000 0.1956838), wk = 0.0023310 k( 114) = ( 0.7998409 0.5000000 0.2001590), wk = 0.0023310 k( 115) = ( 0.7953657 0.5000000 0.2046343), wk = 0.0023310 k( 116) = ( 0.7908905 0.5000000 0.2091095), wk = 0.0023310 k( 117) = ( 0.7864152 0.5000000 0.2135848), wk = 0.0023310 k( 118) = ( 0.7819400 0.5000000 0.2180600), wk = 0.0023310 k( 119) = ( 0.7774648 0.5000000 0.2225352), wk = 0.0023310 k( 120) = ( 0.7729895 0.5000000 0.2270105), wk = 0.0023310 k( 121) = ( 0.7685143 0.5000000 0.2314857), wk = 0.0023310 k( 122) = ( 0.7640391 0.5000000 0.2359610), wk = 0.0023310 k( 123) = ( 0.7595638 0.5000000 0.2404362), wk = 0.0023310 k( 124) = ( 0.7550886 0.5000000 0.2449114), wk = 0.0023310 k( 125) = ( 0.7506133 0.5000000 0.2493867), wk = 0.0023310 k( 126) = ( 0.7461381 0.5000000 0.2538619), wk = 0.0023310 k( 127) = ( 0.7416629 0.5000000 0.2583371), wk = 0.0023310 k( 128) = ( 0.7371876 0.5000000 0.2628124), wk = 0.0023310 k( 129) = ( 0.7327124 0.5000000 0.2672876), wk = 0.0023310 k( 130) = ( 0.7282371 0.5000000 0.2717629), wk = 0.0023310 k( 131) = ( 0.7237619 0.5000000 0.2762381), wk = 0.0023310 k( 132) = ( 0.7192867 0.5000000 0.2807133), wk = 0.0023310 k( 133) = ( 0.7148114 0.5000000 0.2851886), wk = 0.0023310 k( 134) = ( 0.7103362 0.5000000 0.2896638), wk = 0.0023310 k( 135) = ( 0.7058610 0.5000000 0.2941391), wk = 0.0023310 k( 136) = ( 0.7013857 0.5000000 0.2986143), wk = 0.0023310 k( 137) = ( 0.6969105 0.5000000 0.3030895), wk = 0.0023310 k( 138) = ( 0.6924352 0.5000000 0.3075648), wk = 0.0023310 k( 139) = ( 0.6879600 0.5000000 0.3120400), wk = 0.0023310 k( 140) = ( 0.6834848 0.5000000 0.3165152), wk = 0.0023310 k( 141) = ( 0.6790095 0.5000000 0.3209905), wk = 0.0023310 k( 142) = ( 0.6745343 0.5000000 0.3254657), wk = 0.0023310 k( 143) = ( 0.6700590 0.5000000 0.3299410), wk = 0.0023310 k( 144) = ( 0.6655838 0.5000000 0.3344162), wk = 0.0023310 k( 145) = ( 0.6611086 0.5000000 0.3388914), wk = 0.0023310 k( 146) = ( 0.6566333 0.5000000 0.3433667), wk = 0.0023310 k( 147) = ( 0.6521581 0.5000000 0.3478419), wk = 0.0023310 k( 148) = ( 0.6476829 0.5000000 0.3523171), wk = 0.0023310 k( 149) = ( 0.6432076 0.5000000 0.3567924), wk = 0.0023310 k( 150) = ( 0.6387324 0.5000000 0.3612676), wk = 0.0023310 k( 151) = ( 0.6342571 0.5000000 0.3657429), wk = 0.0023310 k( 152) = ( 0.6297819 0.5000000 0.3702181), wk = 0.0023310 k( 153) = ( 0.6253067 0.5000000 0.3746933), wk = 0.0023310 k( 154) = ( 0.6208314 0.5000000 0.3791686), wk = 0.0023310 k( 155) = ( 0.6163562 0.5000000 0.3836438), wk = 0.0023310 k( 156) = ( 0.6118809 0.5000000 0.3881191), wk = 0.0023310 k( 157) = ( 0.6074057 0.5000000 0.3925943), wk = 0.0023310 k( 158) = ( 0.6029305 0.5000000 0.3970695), wk = 0.0023310 k( 159) = ( 0.5984552 0.5000000 0.4015448), wk = 0.0023310 k( 160) = ( 0.5939800 0.5000000 0.4060200), wk = 0.0023310 k( 161) = ( 0.5895048 0.5000000 0.4104952), wk = 0.0023310 k( 162) = ( 0.5850295 0.5000000 0.4149705), wk = 0.0023310 k( 163) = ( 0.5805543 0.5000000 0.4194457), wk = 0.0023310 k( 164) = ( 0.5760791 0.5000000 0.4239210), wk = 0.0023310 k( 165) = ( 0.5716038 0.5000000 0.4283962), wk = 0.0023310 k( 166) = ( 0.5671286 0.5000000 0.4328714), wk = 0.0023310 k( 167) = ( 0.5626533 0.5000000 0.4373467), wk = 0.0023310 k( 168) = ( 0.5581781 0.5000000 0.4418219), wk = 0.0023310 k( 169) = ( 0.5537029 0.5000000 0.4462971), wk = 0.0023310 k( 170) = ( 0.5492276 0.5000000 0.4507724), wk = 0.0023310 k( 171) = ( 0.5447524 0.5000000 0.4552476), wk = 0.0023310 k( 172) = ( 0.5402771 0.5000000 0.4597229), wk = 0.0023310 k( 173) = ( 0.5358019 0.5000000 0.4641981), wk = 0.0023310 k( 174) = ( 0.5313267 0.5000000 0.4686733), wk = 0.0023310 k( 175) = ( 0.5268514 0.5000000 0.4731486), wk = 0.0023310 k( 176) = ( 0.5223762 0.5000000 0.4776238), wk = 0.0023310 k( 177) = ( 0.5179010 0.5000000 0.4820991), wk = 0.0023310 k( 178) = ( 0.5134257 0.5000000 0.4865743), wk = 0.0023310 k( 179) = ( 0.5089505 0.5000000 0.4910495), wk = 0.0023310 k( 180) = ( 0.5044752 0.5000000 0.4955248), wk = 0.0023310 k( 181) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023310 k( 182) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023310 k( 183) = ( 0.4852941 0.4852941 0.4852941), wk = 0.0023310 k( 184) = ( 0.4705882 0.4705882 0.4705882), wk = 0.0023310 k( 185) = ( 0.4558823 0.4558824 0.4558824), wk = 0.0023310 k( 186) = ( 0.4411765 0.4411765 0.4411765), wk = 0.0023310 k( 187) = ( 0.4264706 0.4264706 0.4264706), wk = 0.0023310 k( 188) = ( 0.4117647 0.4117647 0.4117647), wk = 0.0023310 k( 189) = ( 0.3970588 0.3970588 0.3970588), wk = 0.0023310 k( 190) = ( 0.3823529 0.3823529 0.3823529), wk = 0.0023310 k( 191) = ( 0.3676471 0.3676471 0.3676471), wk = 0.0023310 k( 192) = ( 0.3529412 0.3529412 0.3529412), wk = 0.0023310 k( 193) = ( 0.3382353 0.3382353 0.3382353), wk = 0.0023310 k( 194) = ( 0.3235294 0.3235294 0.3235294), wk = 0.0023310 k( 195) = ( 0.3088235 0.3088235 0.3088235), wk = 0.0023310 k( 196) = ( 0.2941177 0.2941177 0.2941177), wk = 0.0023310 k( 197) = ( 0.2794118 0.2794118 0.2794118), wk = 0.0023310 k( 198) = ( 0.2647059 0.2647059 0.2647059), wk = 0.0023310 k( 199) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0023310 k( 200) = ( 0.2352941 0.2352941 0.2352941), wk = 0.0023310 k( 201) = ( 0.2205882 0.2205882 0.2205882), wk = 0.0023310 k( 202) = ( 0.2058823 0.2058823 0.2058823), wk = 0.0023310 k( 203) = ( 0.1911765 0.1911765 0.1911765), wk = 0.0023310 k( 204) = ( 0.1764706 0.1764706 0.1764706), wk = 0.0023310 k( 205) = ( 0.1617647 0.1617647 0.1617647), wk = 0.0023310 k( 206) = ( 0.1470588 0.1470588 0.1470588), wk = 0.0023310 k( 207) = ( 0.1323529 0.1323529 0.1323529), wk = 0.0023310 k( 208) = ( 0.1176471 0.1176471 0.1176471), wk = 0.0023310 k( 209) = ( 0.1029412 0.1029412 0.1029412), wk = 0.0023310 k( 210) = ( 0.0882353 0.0882353 0.0882353), wk = 0.0023310 k( 211) = ( 0.0735294 0.0735294 0.0735294), wk = 0.0023310 k( 212) = ( 0.0588235 0.0588235 0.0588235), wk = 0.0023310 k( 213) = ( 0.0441177 0.0441177 0.0441177), wk = 0.0023310 k( 214) = ( 0.0294118 0.0294118 0.0294118), wk = 0.0023310 k( 215) = ( 0.0147059 0.0147059 0.0147059), wk = 0.0023310 k( 216) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023310 k( 217) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023310 k( 218) = ( 0.0044593 -0.0000000 -0.0044593), wk = 0.0023310 k( 219) = ( 0.0089186 0.0000000 -0.0089186), wk = 0.0023310 k( 220) = ( 0.0133779 0.0000000 -0.0133779), wk = 0.0023310 k( 221) = ( 0.0178372 0.0000000 -0.0178372), wk = 0.0023310 k( 222) = ( 0.0222965 0.0000000 -0.0222965), wk = 0.0023310 k( 223) = ( 0.0267558 0.0000000 -0.0267558), wk = 0.0023310 k( 224) = ( 0.0312152 -0.0000000 -0.0312152), wk = 0.0023310 k( 225) = ( 0.0356745 0.0000000 -0.0356745), wk = 0.0023310 k( 226) = ( 0.0401338 -0.0000000 -0.0401338), wk = 0.0023310 k( 227) = ( 0.0445931 0.0000000 -0.0445931), wk = 0.0023310 k( 228) = ( 0.0490524 -0.0000000 -0.0490524), wk = 0.0023310 k( 229) = ( 0.0535117 -0.0000000 -0.0535117), wk = 0.0023310 k( 230) = ( 0.0579710 0.0000000 -0.0579710), wk = 0.0023310 k( 231) = ( 0.0624303 -0.0000000 -0.0624303), wk = 0.0023310 k( 232) = ( 0.0668896 -0.0000000 -0.0668896), wk = 0.0023310 k( 233) = ( 0.0713489 0.0000000 -0.0713489), wk = 0.0023310 k( 234) = ( 0.0758082 0.0000000 -0.0758082), wk = 0.0023310 k( 235) = ( 0.0802675 0.0000000 -0.0802675), wk = 0.0023310 k( 236) = ( 0.0847268 -0.0000000 -0.0847268), wk = 0.0023310 k( 237) = ( 0.0891862 -0.0000000 -0.0891861), wk = 0.0023310 k( 238) = ( 0.0936455 0.0000000 -0.0936455), wk = 0.0023310 k( 239) = ( 0.0981048 -0.0000000 -0.0981048), wk = 0.0023310 k( 240) = ( 0.1025641 -0.0000000 -0.1025641), wk = 0.0023310 k( 241) = ( 0.1070234 -0.0000000 -0.1070234), wk = 0.0023310 k( 242) = ( 0.1114827 -0.0000000 -0.1114827), wk = 0.0023310 k( 243) = ( 0.1159420 -0.0000000 -0.1159420), wk = 0.0023310 k( 244) = ( 0.1204013 -0.0000000 -0.1204013), wk = 0.0023310 k( 245) = ( 0.1248606 -0.0000000 -0.1248606), wk = 0.0023310 k( 246) = ( 0.1293199 -0.0000000 -0.1293199), wk = 0.0023310 k( 247) = ( 0.1337792 -0.0000000 -0.1337792), wk = 0.0023310 k( 248) = ( 0.1382385 -0.0000000 -0.1382385), wk = 0.0023310 k( 249) = ( 0.1426978 0.0000000 -0.1426978), wk = 0.0023310 k( 250) = ( 0.1471571 -0.0000000 -0.1471571), wk = 0.0023310 k( 251) = ( 0.1516165 0.0000000 -0.1516165), wk = 0.0023310 k( 252) = ( 0.1560758 -0.0000000 -0.1560758), wk = 0.0023310 k( 253) = ( 0.1605351 0.0000000 -0.1605351), wk = 0.0023310 k( 254) = ( 0.1649944 -0.0000000 -0.1649944), wk = 0.0023310 k( 255) = ( 0.1694537 -0.0000000 -0.1694537), wk = 0.0023310 k( 256) = ( 0.1739130 0.0000000 -0.1739130), wk = 0.0023310 k( 257) = ( 0.1783723 0.0000000 -0.1783723), wk = 0.0023310 k( 258) = ( 0.1828316 -0.0000000 -0.1828316), wk = 0.0023310 k( 259) = ( 0.1872909 0.0000000 -0.1872909), wk = 0.0023310 k( 260) = ( 0.1917502 -0.0000000 -0.1917502), wk = 0.0023310 k( 261) = ( 0.1962095 -0.0000000 -0.1962095), wk = 0.0023310 k( 262) = ( 0.2006688 0.0000000 -0.2006688), wk = 0.0023310 k( 263) = ( 0.2051281 -0.0000000 -0.2051281), wk = 0.0023310 k( 264) = ( 0.2095875 -0.0000000 -0.2095875), wk = 0.0023310 k( 265) = ( 0.2140468 0.0000000 -0.2140468), wk = 0.0023310 k( 266) = ( 0.2185061 0.0000000 -0.2185061), wk = 0.0023310 k( 267) = ( 0.2229654 0.0000000 -0.2229654), wk = 0.0023310 k( 268) = ( 0.2274247 -0.0000000 -0.2274247), wk = 0.0023310 k( 269) = ( 0.2318840 -0.0000000 -0.2318840), wk = 0.0023310 k( 270) = ( 0.2363433 0.0000000 -0.2363433), wk = 0.0023310 k( 271) = ( 0.2408026 -0.0000000 -0.2408026), wk = 0.0023310 k( 272) = ( 0.2452619 0.0000000 -0.2452619), wk = 0.0023310 k( 273) = ( 0.2497212 0.0000000 -0.2497212), wk = 0.0023310 k( 274) = ( 0.2541805 0.0000000 -0.2541805), wk = 0.0023310 k( 275) = ( 0.2586398 0.0000000 -0.2586398), wk = 0.0023310 k( 276) = ( 0.2630991 0.0000000 -0.2630991), wk = 0.0023310 k( 277) = ( 0.2675584 -0.0000000 -0.2675584), wk = 0.0023310 k( 278) = ( 0.2720178 0.0000000 -0.2720178), wk = 0.0023310 k( 279) = ( 0.2764771 -0.0000000 -0.2764771), wk = 0.0023310 k( 280) = ( 0.2809364 -0.0000000 -0.2809364), wk = 0.0023310 k( 281) = ( 0.2853957 -0.0000000 -0.2853957), wk = 0.0023310 k( 282) = ( 0.2898550 -0.0000000 -0.2898550), wk = 0.0023310 k( 283) = ( 0.2943143 -0.0000000 -0.2943143), wk = 0.0023310 k( 284) = ( 0.2987736 0.0000000 -0.2987736), wk = 0.0023310 k( 285) = ( 0.3032329 0.0000000 -0.3032329), wk = 0.0023310 k( 286) = ( 0.3076922 -0.0000000 -0.3076922), wk = 0.0023310 k( 287) = ( 0.3121515 -0.0000000 -0.3121515), wk = 0.0023310 k( 288) = ( 0.3166108 -0.0000000 -0.3166108), wk = 0.0023310 k( 289) = ( 0.3210701 -0.0000000 -0.3210701), wk = 0.0023310 k( 290) = ( 0.3255294 0.0000000 -0.3255294), wk = 0.0023310 k( 291) = ( 0.3299887 -0.0000000 -0.3299887), wk = 0.0023310 k( 292) = ( 0.3344480 0.0000000 -0.3344480), wk = 0.0023310 k( 293) = ( 0.3389074 -0.0000000 -0.3389074), wk = 0.0023310 k( 294) = ( 0.3433667 0.0000000 -0.3433667), wk = 0.0023310 k( 295) = ( 0.6566333 0.3433667 0.0000000), wk = 0.0023310 k( 296) = ( 0.6521581 0.3478419 0.0000000), wk = 0.0023310 k( 297) = ( 0.6476829 0.3523171 0.0000000), wk = 0.0023310 k( 298) = ( 0.6432076 0.3567924 -0.0000000), wk = 0.0023310 k( 299) = ( 0.6387324 0.3612676 0.0000000), wk = 0.0023310 k( 300) = ( 0.6342571 0.3657429 -0.0000000), wk = 0.0023310 k( 301) = ( 0.6297819 0.3702181 -0.0000000), wk = 0.0023310 k( 302) = ( 0.6253067 0.3746933 0.0000000), wk = 0.0023310 k( 303) = ( 0.6208314 0.3791686 0.0000000), wk = 0.0023310 k( 304) = ( 0.6163562 0.3836438 0.0000000), wk = 0.0023310 k( 305) = ( 0.6118809 0.3881191 -0.0000000), wk = 0.0023310 k( 306) = ( 0.6074057 0.3925943 -0.0000000), wk = 0.0023310 k( 307) = ( 0.6029305 0.3970695 0.0000000), wk = 0.0023310 k( 308) = ( 0.5984552 0.4015448 0.0000000), wk = 0.0023310 k( 309) = ( 0.5939800 0.4060200 0.0000000), wk = 0.0023310 k( 310) = ( 0.5895048 0.4104952 0.0000000), wk = 0.0023310 k( 311) = ( 0.5850295 0.4149705 0.0000000), wk = 0.0023310 k( 312) = ( 0.5805543 0.4194457 0.0000000), wk = 0.0023310 k( 313) = ( 0.5760791 0.4239210 -0.0000000), wk = 0.0023310 k( 314) = ( 0.5716038 0.4283962 0.0000000), wk = 0.0023310 k( 315) = ( 0.5671286 0.4328714 0.0000000), wk = 0.0023310 k( 316) = ( 0.5626533 0.4373467 0.0000000), wk = 0.0023310 k( 317) = ( 0.5581781 0.4418219 0.0000000), wk = 0.0023310 k( 318) = ( 0.5537029 0.4462971 0.0000000), wk = 0.0023310 k( 319) = ( 0.5492276 0.4507724 -0.0000000), wk = 0.0023310 k( 320) = ( 0.5447524 0.4552476 0.0000000), wk = 0.0023310 k( 321) = ( 0.5402771 0.4597229 0.0000000), wk = 0.0023310 k( 322) = ( 0.5358019 0.4641981 -0.0000000), wk = 0.0023310 k( 323) = ( 0.5313267 0.4686733 0.0000000), wk = 0.0023310 k( 324) = ( 0.5268514 0.4731486 0.0000000), wk = 0.0023310 k( 325) = ( 0.5223762 0.4776238 0.0000000), wk = 0.0023310 k( 326) = ( 0.5179010 0.4820990 0.0000000), wk = 0.0023310 k( 327) = ( 0.5134257 0.4865743 -0.0000000), wk = 0.0023310 k( 328) = ( 0.5089505 0.4910495 0.0000000), wk = 0.0023310 k( 329) = ( 0.5044752 0.4955248 0.0000000), wk = 0.0023310 k( 330) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0023310 k( 331) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0023310 k( 332) = ( 0.5130528 0.5130528 0.0155611), wk = 0.0023310 k( 333) = ( 0.5261056 0.5261056 0.0311222), wk = 0.0023310 k( 334) = ( 0.5391583 0.5391583 0.0466833), wk = 0.0023310 k( 335) = ( 0.5522111 0.5522111 0.0622444), wk = 0.0023310 k( 336) = ( 0.5652639 0.5652639 0.0778056), wk = 0.0023310 k( 337) = ( 0.5783167 0.5783167 0.0933667), wk = 0.0023310 k( 338) = ( 0.5913694 0.5913694 0.1089278), wk = 0.0023310 k( 339) = ( 0.6044222 0.6044222 0.1244889), wk = 0.0023310 k( 340) = ( 0.6174750 0.6174750 0.1400500), wk = 0.0023310 k( 341) = ( 0.6305278 0.6305278 0.1556111), wk = 0.0023310 k( 342) = ( 0.6435806 0.6435806 0.1711722), wk = 0.0023310 k( 343) = ( 0.6566333 0.6566333 0.1867333), wk = 0.0023310 k( 344) = ( 0.6566333 0.6566333 0.1867333), wk = 0.0023310 k( 345) = ( 0.6540656 0.6540656 0.1918689), wk = 0.0023310 k( 346) = ( 0.6514978 0.6514978 0.1970044), wk = 0.0023310 k( 347) = ( 0.6489301 0.6489301 0.2021399), wk = 0.0023310 k( 348) = ( 0.6463623 0.6463623 0.2072754), wk = 0.0023310 k( 349) = ( 0.6437945 0.6437945 0.2124109), wk = 0.0023310 k( 350) = ( 0.6412268 0.6412268 0.2175465), wk = 0.0023310 k( 351) = ( 0.6386590 0.6386590 0.2226820), wk = 0.0023310 k( 352) = ( 0.6360913 0.6360913 0.2278175), wk = 0.0023310 k( 353) = ( 0.6335235 0.6335235 0.2329530), wk = 0.0023310 k( 354) = ( 0.6309557 0.6309557 0.2380885), wk = 0.0023310 k( 355) = ( 0.6283880 0.6283880 0.2432240), wk = 0.0023310 k( 356) = ( 0.6258202 0.6258202 0.2483596), wk = 0.0023310 k( 357) = ( 0.6232525 0.6232525 0.2534951), wk = 0.0023310 k( 358) = ( 0.6206847 0.6206847 0.2586306), wk = 0.0023310 k( 359) = ( 0.6181169 0.6181169 0.2637661), wk = 0.0023310 k( 360) = ( 0.6155492 0.6155492 0.2689016), wk = 0.0023310 k( 361) = ( 0.6129814 0.6129814 0.2740372), wk = 0.0023310 k( 362) = ( 0.6104137 0.6104137 0.2791727), wk = 0.0023310 k( 363) = ( 0.6078459 0.6078459 0.2843082), wk = 0.0023310 k( 364) = ( 0.6052781 0.6052781 0.2894437), wk = 0.0023310 k( 365) = ( 0.6027104 0.6027104 0.2945792), wk = 0.0023310 k( 366) = ( 0.6001426 0.6001426 0.2997148), wk = 0.0023310 k( 367) = ( 0.5975749 0.5975749 0.3048503), wk = 0.0023310 k( 368) = ( 0.5950071 0.5950071 0.3099858), wk = 0.0023310 k( 369) = ( 0.5924393 0.5924393 0.3151213), wk = 0.0023310 k( 370) = ( 0.5898716 0.5898716 0.3202568), wk = 0.0023310 k( 371) = ( 0.5873038 0.5873038 0.3253924), wk = 0.0023310 k( 372) = ( 0.5847361 0.5847361 0.3305279), wk = 0.0023310 k( 373) = ( 0.5821683 0.5821683 0.3356634), wk = 0.0023310 k( 374) = ( 0.5796005 0.5796005 0.3407989), wk = 0.0023310 k( 375) = ( 0.5770328 0.5770328 0.3459344), wk = 0.0023310 k( 376) = ( 0.5744650 0.5744650 0.3510700), wk = 0.0023310 k( 377) = ( 0.5718973 0.5718973 0.3562055), wk = 0.0023310 k( 378) = ( 0.5693295 0.5693295 0.3613410), wk = 0.0023310 k( 379) = ( 0.5667617 0.5667617 0.3664765), wk = 0.0023310 k( 380) = ( 0.5641940 0.5641940 0.3716120), wk = 0.0023310 k( 381) = ( 0.5616262 0.5616262 0.3767475), wk = 0.0023310 k( 382) = ( 0.5590585 0.5590585 0.3818831), wk = 0.0023310 k( 383) = ( 0.5564907 0.5564907 0.3870186), wk = 0.0023310 k( 384) = ( 0.5539230 0.5539230 0.3921541), wk = 0.0023310 k( 385) = ( 0.5513552 0.5513552 0.3972896), wk = 0.0023310 k( 386) = ( 0.5487874 0.5487874 0.4024251), wk = 0.0023310 k( 387) = ( 0.5462197 0.5462197 0.4075607), wk = 0.0023310 k( 388) = ( 0.5436519 0.5436519 0.4126962), wk = 0.0023310 k( 389) = ( 0.5410841 0.5410841 0.4178317), wk = 0.0023310 k( 390) = ( 0.5385164 0.5385164 0.4229672), wk = 0.0023310 k( 391) = ( 0.5359486 0.5359486 0.4281027), wk = 0.0023310 k( 392) = ( 0.5333809 0.5333809 0.4332383), wk = 0.0023310 k( 393) = ( 0.5308131 0.5308131 0.4383738), wk = 0.0023310 k( 394) = ( 0.5282454 0.5282454 0.4435093), wk = 0.0023310 k( 395) = ( 0.5256776 0.5256776 0.4486448), wk = 0.0023310 k( 396) = ( 0.5231098 0.5231098 0.4537803), wk = 0.0023310 k( 397) = ( 0.5205421 0.5205421 0.4589159), wk = 0.0023310 k( 398) = ( 0.5179743 0.5179743 0.4640514), wk = 0.0023310 k( 399) = ( 0.5154066 0.5154066 0.4691869), wk = 0.0023310 k( 400) = ( 0.5128388 0.5128388 0.4743224), wk = 0.0023310 k( 401) = ( 0.5102710 0.5102710 0.4794579), wk = 0.0023310 k( 402) = ( 0.5077033 0.5077033 0.4845934), wk = 0.0023310 k( 403) = ( 0.5051355 0.5051355 0.4897290), wk = 0.0023310 k( 404) = ( 0.5025678 0.5025678 0.4948645), wk = 0.0023310 k( 405) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023310 k( 406) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0023310 k( 407) = ( 0.5136203 0.0149290 0.0149290), wk = 0.0023310 k( 408) = ( 0.5272406 0.0298580 0.0298580), wk = 0.0023310 k( 409) = ( 0.5408609 0.0447870 0.0447870), wk = 0.0023310 k( 410) = ( 0.5544812 0.0597159 0.0597159), wk = 0.0023310 k( 411) = ( 0.5681015 0.0746449 0.0746449), wk = 0.0023310 k( 412) = ( 0.5817217 0.0895739 0.0895739), wk = 0.0023310 k( 413) = ( 0.5953420 0.1045029 0.1045029), wk = 0.0023310 k( 414) = ( 0.6089623 0.1194319 0.1194319), wk = 0.0023310 k( 415) = ( 0.6225826 0.1343609 0.1343609), wk = 0.0023310 k( 416) = ( 0.6362029 0.1492899 0.1492899), wk = 0.0023310 k( 417) = ( 0.6498232 0.1642188 0.1642188), wk = 0.0023310 k( 418) = ( 0.6634435 0.1791478 0.1791478), wk = 0.0023310 k( 419) = ( 0.6770638 0.1940768 0.1940768), wk = 0.0023310 k( 420) = ( 0.6906841 0.2090058 0.2090058), wk = 0.0023310 k( 421) = ( 0.7043044 0.2239348 0.2239348), wk = 0.0023310 k( 422) = ( 0.7179246 0.2388638 0.2388638), wk = 0.0023310 k( 423) = ( 0.7315449 0.2537928 0.2537928), wk = 0.0023310 k( 424) = ( 0.7451652 0.2687217 0.2687217), wk = 0.0023310 k( 425) = ( 0.7587855 0.2836507 0.2836507), wk = 0.0023310 k( 426) = ( 0.7724058 0.2985797 0.2985797), wk = 0.0023310 k( 427) = ( 0.7860261 0.3135087 0.3135087), wk = 0.0023310 k( 428) = ( 0.7996464 0.3284377 0.3284377), wk = 0.0023310 k( 429) = ( 0.8132667 0.3433667 0.3433667), wk = 0.0023310 Dense grid: 30627 G-vectors FFT dimensions: ( 64, 64, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.14 Mb ( 222, 40) NL pseudopotentials 0.13 Mb ( 111, 76) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.01 Mb ( 853) G-vector shells 0.01 Mb ( 696) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.54 Mb ( 222, 160) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.09 Mb ( 76, 2, 40) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./LiCoO2.save/charge-density.dat Starting wfc are 46 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.0 secs Computing kpt #: 2 total cpu time spent up to now is 3.5 secs Computing kpt #: 3 total cpu time spent up to now is 3.8 secs Computing kpt #: 4 total cpu time spent up to now is 4.2 secs Computing kpt #: 5 total cpu time spent up to now is 4.6 secs Computing kpt #: 6 total cpu time spent up to now is 4.9 secs Computing kpt #: 7 total cpu time spent up to now is 5.3 secs Computing kpt #: 8 total cpu time spent up to now is 5.7 secs Computing kpt #: 9 total cpu time spent up to now is 6.1 secs Computing kpt #: 10 total cpu time spent up to now is 6.5 secs Computing kpt #: 11 total cpu time spent up to now is 6.8 secs Computing kpt #: 12 total cpu time spent up to now is 7.2 secs Computing kpt #: 13 total cpu time spent up to now is 7.6 secs Computing kpt #: 14 total cpu time spent up to now is 8.0 secs Computing kpt #: 15 total cpu time spent up to now is 8.4 secs Computing kpt #: 16 total cpu time spent up to now is 8.8 secs Computing kpt #: 17 total cpu time spent up to now is 9.2 secs Computing kpt #: 18 total cpu time spent up to now is 9.6 secs Computing kpt #: 19 total cpu time spent up to now is 9.9 secs Computing kpt #: 20 total cpu time spent up to now is 10.3 secs Computing kpt #: 21 total cpu time spent up to now is 10.7 secs Computing kpt #: 22 total cpu time spent up to now is 11.1 secs Computing kpt #: 23 total cpu time spent up to now is 11.5 secs Computing kpt #: 24 total cpu time spent up to now is 11.9 secs Computing kpt #: 25 total cpu time spent up to now is 12.3 secs Computing kpt #: 26 total cpu time spent up to now is 12.7 secs Computing kpt #: 27 total cpu time spent up to now is 13.1 secs Computing kpt #: 28 total cpu time spent up to now is 13.5 secs Computing kpt #: 29 total cpu time spent up to now is 13.9 secs Computing kpt #: 30 total cpu time spent up to now is 14.3 secs Computing kpt #: 31 total cpu time spent up to now is 14.7 secs Computing kpt #: 32 total cpu time spent up to now is 15.1 secs Computing kpt #: 33 total cpu time spent up to now is 15.5 secs Computing kpt #: 34 total cpu time spent up to now is 15.9 secs Computing kpt #: 35 total cpu time spent up to now is 16.3 secs Computing kpt #: 36 total cpu time spent up to now is 16.7 secs Computing kpt #: 37 total cpu time spent up to now is 17.1 secs Computing kpt #: 38 total cpu time spent up to now is 17.6 secs Computing kpt #: 39 total cpu time spent up to now is 18.0 secs Computing kpt #: 40 total cpu time spent up to now is 18.4 secs Computing kpt #: 41 total cpu time spent up to now is 18.8 secs Computing kpt #: 42 total cpu time spent up to now is 19.2 secs Computing kpt #: 43 total cpu time spent up to now is 19.6 secs Computing kpt #: 44 total cpu time spent up to now is 20.1 secs Computing kpt #: 45 total cpu time spent up to now is 20.5 secs Computing kpt #: 46 total cpu time spent up to now is 20.9 secs Computing kpt #: 47 total cpu time spent up to now is 21.4 secs Computing kpt #: 48 total cpu time spent up to now is 21.9 secs Computing kpt #: 49 total cpu time spent up to now is 22.4 secs Computing kpt #: 50 total cpu time spent up to now is 22.9 secs Computing kpt #: 51 total cpu time spent up to now is 23.4 secs Computing kpt #: 52 total cpu time spent up to now is 23.9 secs Computing kpt #: 53 total cpu time spent up to now is 24.4 secs Computing kpt #: 54 total cpu time spent up to now is 24.9 secs Computing kpt #: 55 total cpu time spent up to now is 25.4 secs Computing kpt #: 56 total cpu time spent up to now is 25.9 secs Computing kpt #: 57 total cpu time spent up to now is 26.4 secs Computing kpt #: 58 total cpu time spent up to now is 26.9 secs Computing kpt #: 59 total cpu time spent up to now is 27.4 secs Computing kpt #: 60 total cpu time spent up to now is 27.9 secs Computing kpt #: 61 total cpu time spent up to now is 28.4 secs Computing kpt #: 62 total cpu time spent up to now is 28.9 secs Computing kpt #: 63 total cpu time spent up to now is 29.5 secs Computing kpt #: 64 total cpu time spent up to now is 30.0 secs Computing kpt #: 65 total cpu time spent up to now is 30.5 secs Computing kpt #: 66 total cpu time spent up to now is 31.0 secs Computing kpt #: 67 total cpu time spent up to now is 31.5 secs Computing kpt #: 68 total cpu time spent up to now is 32.0 secs Computing kpt #: 69 total cpu time spent up to now is 32.5 secs Computing kpt #: 70 total cpu time spent up to now is 33.1 secs Computing kpt #: 71 total cpu time spent up to now is 33.7 secs Computing kpt #: 72 total cpu time spent up to now is 34.2 secs Computing kpt #: 73 total cpu time spent up to now is 34.7 secs Computing kpt #: 74 total cpu time spent up to now is 35.3 secs Computing kpt #: 75 total cpu time spent up to now is 35.8 secs Computing kpt #: 76 total cpu time spent up to now is 36.4 secs Computing kpt #: 77 total cpu time spent up to now is 37.0 secs Computing kpt #: 78 total cpu time spent up to now is 37.7 secs Computing kpt #: 79 total cpu time spent up to now is 38.3 secs Computing kpt #: 80 total cpu time spent up to now is 38.9 secs Computing kpt #: 81 total cpu time spent up to now is 39.5 secs Computing kpt #: 82 total cpu time spent up to now is 40.0 secs Computing kpt #: 83 total cpu time spent up to now is 40.6 secs Computing kpt #: 84 total cpu time spent up to now is 41.2 secs Computing kpt #: 85 total cpu time spent up to now is 41.7 secs Computing kpt #: 86 total cpu time spent up to now is 42.2 secs Computing kpt #: 87 total cpu time spent up to now is 42.8 secs Computing kpt #: 88 total cpu time spent up to now is 43.3 secs Computing kpt #: 89 total cpu time spent up to now is 43.8 secs Computing kpt #: 90 total cpu time spent up to now is 44.4 secs Computing kpt #: 91 total cpu time spent up to now is 44.9 secs Computing kpt #: 92 total cpu time spent up to now is 45.4 secs Computing kpt #: 93 total cpu time spent up to now is 45.9 secs Computing kpt #: 94 total cpu time spent up to now is 46.3 secs Computing kpt #: 95 total cpu time spent up to now is 46.8 secs Computing kpt #: 96 total cpu time spent up to now is 47.3 secs Computing kpt #: 97 total cpu time spent up to now is 47.7 secs Computing kpt #: 98 total cpu time spent up to now is 48.1 secs Computing kpt #: 99 total cpu time spent up to now is 48.6 secs Computing kpt #: 100 total cpu time spent up to now is 49.0 secs Computing kpt #: 101 total cpu time spent up to now is 49.5 secs Computing kpt #: 102 total cpu time spent up to now is 49.9 secs Computing kpt #: 103 total cpu time spent up to now is 50.3 secs Computing kpt #: 104 total cpu time spent up to now is 50.8 secs Computing kpt #: 105 total cpu time spent up to now is 51.2 secs Computing kpt #: 106 total cpu time spent up to now is 51.6 secs Computing kpt #: 107 total cpu time spent up to now is 52.1 secs Computing kpt #: 108 total cpu time spent up to now is 52.5 secs Computing kpt #: 109 total cpu time spent up to now is 52.9 secs Computing kpt #: 110 total cpu time spent up to now is 53.3 secs Computing kpt #: 111 total cpu time spent up to now is 53.7 secs Computing kpt #: 112 total cpu time spent up to now is 54.1 secs Computing kpt #: 113 total cpu time spent up to now is 54.6 secs Computing kpt #: 114 total cpu time spent up to now is 55.0 secs Computing kpt #: 115 total cpu time spent up to now is 55.4 secs Computing kpt #: 116 total cpu time spent up to now is 55.9 secs Computing kpt #: 117 total cpu time spent up to now is 56.3 secs Computing kpt #: 118 total cpu time spent up to now is 56.7 secs Computing kpt #: 119 total cpu time spent up to now is 57.2 secs Computing kpt #: 120 total cpu time spent up to now is 57.6 secs Computing kpt #: 121 total cpu time spent up to now is 58.1 secs Computing kpt #: 122 total cpu time spent up to now is 58.5 secs Computing kpt #: 123 total cpu time spent up to now is 59.0 secs Computing kpt #: 124 total cpu time spent up to now is 59.4 secs Computing kpt #: 125 total cpu time spent up to now is 59.9 secs Computing kpt #: 126 total cpu time spent up to now is 60.3 secs Computing kpt #: 127 total cpu time spent up to now is 60.8 secs Computing kpt #: 128 total cpu time spent up to now is 61.3 secs Computing kpt #: 129 total cpu time spent up to now is 61.7 secs Computing kpt #: 130 total cpu time spent up to now is 62.1 secs Computing kpt #: 131 total cpu time spent up to now is 62.6 secs Computing kpt #: 132 total cpu time spent up to now is 63.0 secs Computing kpt #: 133 total cpu time spent up to now is 63.4 secs Computing kpt #: 134 total cpu time spent up to now is 63.9 secs Computing kpt #: 135 total cpu time spent up to now is 64.3 secs Computing kpt #: 136 total cpu time spent up to now is 64.7 secs Computing kpt #: 137 total cpu time spent up to now is 65.1 secs Computing kpt #: 138 total cpu time spent up to now is 65.5 secs Computing kpt #: 139 total cpu time spent up to now is 65.9 secs Computing kpt #: 140 total cpu time spent up to now is 66.3 secs Computing kpt #: 141 total cpu time spent up to now is 66.7 secs Computing kpt #: 142 total cpu time spent up to now is 67.1 secs Computing kpt #: 143 total cpu time spent up to now is 67.5 secs Computing kpt #: 144 total cpu time spent up to now is 67.9 secs Computing kpt #: 145 total cpu time spent up to now is 68.3 secs Computing kpt #: 146 total cpu time spent up to now is 68.7 secs Computing kpt #: 147 total cpu time spent up to now is 69.0 secs Computing kpt #: 148 total cpu time spent up to now is 69.4 secs Computing kpt #: 149 total cpu time spent up to now is 69.8 secs Computing kpt #: 150 total cpu time spent up to now is 70.2 secs Computing kpt #: 151 total cpu time spent up to now is 70.6 secs Computing kpt #: 152 total cpu time spent up to now is 70.9 secs Computing kpt #: 153 total cpu time spent up to now is 71.3 secs Computing kpt #: 154 total cpu time spent up to now is 71.7 secs Computing kpt #: 155 total cpu time spent up to now is 72.0 secs Computing kpt #: 156 total cpu time spent up to now is 72.4 secs Computing kpt #: 157 total cpu time spent up to now is 72.8 secs Computing kpt #: 158 total cpu time spent up to now is 73.1 secs Computing kpt #: 159 total cpu time spent up to now is 73.5 secs Computing kpt #: 160 total cpu time spent up to now is 73.8 secs Computing kpt #: 161 total cpu time spent up to now is 74.2 secs Computing kpt #: 162 total cpu time spent up to now is 74.5 secs Computing kpt #: 163 total cpu time spent up to now is 74.8 secs Computing kpt #: 164 total cpu time spent up to now is 75.2 secs Computing kpt #: 165 total cpu time spent up to now is 75.5 secs Computing kpt #: 166 total cpu time spent up to now is 75.9 secs Computing kpt #: 167 total cpu time spent up to now is 76.2 secs Computing kpt #: 168 total cpu time spent up to now is 76.6 secs Computing kpt #: 169 total cpu time spent up to now is 76.9 secs Computing kpt #: 170 total cpu time spent up to now is 77.3 secs Computing kpt #: 171 total cpu time spent up to now is 77.6 secs Computing kpt #: 172 total cpu time spent up to now is 77.9 secs Computing kpt #: 173 total cpu time spent up to now is 78.3 secs Computing kpt #: 174 total cpu time spent up to now is 78.6 secs Computing kpt #: 175 total cpu time spent up to now is 79.0 secs Computing kpt #: 176 total cpu time spent up to now is 79.3 secs Computing kpt #: 177 total cpu time spent up to now is 79.6 secs Computing kpt #: 178 total cpu time spent up to now is 80.0 secs Computing kpt #: 179 total cpu time spent up to now is 80.3 secs Computing kpt #: 180 total cpu time spent up to now is 80.7 secs Computing kpt #: 181 total cpu time spent up to now is 81.0 secs Computing kpt #: 182 total cpu time spent up to now is 81.3 secs Computing kpt #: 183 total cpu time spent up to now is 81.7 secs Computing kpt #: 184 total cpu time spent up to now is 82.0 secs Computing kpt #: 185 total cpu time spent up to now is 82.3 secs Computing kpt #: 186 total cpu time spent up to now is 82.7 secs Computing kpt #: 187 total cpu time spent up to now is 83.0 secs Computing kpt #: 188 total cpu time spent up to now is 83.4 secs Computing kpt #: 189 total cpu time spent up to now is 83.7 secs Computing kpt #: 190 total cpu time spent up to now is 84.0 secs Computing kpt #: 191 total cpu time spent up to now is 84.4 secs Computing kpt #: 192 total cpu time spent up to now is 84.7 secs Computing kpt #: 193 total cpu time spent up to now is 85.0 secs Computing kpt #: 194 total cpu time spent up to now is 85.4 secs Computing kpt #: 195 total cpu time spent up to now is 85.7 secs Computing kpt #: 196 total cpu time spent up to now is 86.1 secs Computing kpt #: 197 total cpu time spent up to now is 86.4 secs Computing kpt #: 198 total cpu time spent up to now is 86.8 secs Computing kpt #: 199 total cpu time spent up to now is 87.2 secs Computing kpt #: 200 total cpu time spent up to now is 87.5 secs Computing kpt #: 201 total cpu time spent up to now is 87.9 secs Computing kpt #: 202 total cpu time spent up to now is 88.3 secs Computing kpt #: 203 total cpu time spent up to now is 88.6 secs Computing kpt #: 204 total cpu time spent up to now is 89.0 secs Computing kpt #: 205 total cpu time spent up to now is 89.4 secs Computing kpt #: 206 total cpu time spent up to now is 89.7 secs Computing kpt #: 207 total cpu time spent up to now is 90.1 secs Computing kpt #: 208 total cpu time spent up to now is 90.5 secs Computing kpt #: 209 total cpu time spent up to now is 90.9 secs Computing kpt #: 210 total cpu time spent up to now is 91.2 secs Computing kpt #: 211 total cpu time spent up to now is 91.6 secs Computing kpt #: 212 total cpu time spent up to now is 92.0 secs Computing kpt #: 213 total cpu time spent up to now is 92.4 secs Computing kpt #: 214 total cpu time spent up to now is 92.7 secs Computing kpt #: 215 total cpu time spent up to now is 93.1 secs Computing kpt #: 216 total cpu time spent up to now is 93.5 secs Computing kpt #: 217 total cpu time spent up to now is 93.8 secs Computing kpt #: 218 total cpu time spent up to now is 94.2 secs Computing kpt #: 219 total cpu time spent up to now is 94.5 secs Computing kpt #: 220 total cpu time spent up to now is 94.9 secs Computing kpt #: 221 total cpu time spent up to now is 95.2 secs Computing kpt #: 222 total cpu time spent up to now is 95.6 secs Computing kpt #: 223 total cpu time spent up to now is 95.9 secs Computing kpt #: 224 total cpu time spent up to now is 96.3 secs Computing kpt #: 225 total cpu time spent up to now is 96.7 secs Computing kpt #: 226 total cpu time spent up to now is 97.0 secs Computing kpt #: 227 total cpu time spent up to now is 97.4 secs Computing kpt #: 228 total cpu time spent up to now is 97.8 secs Computing kpt #: 229 total cpu time spent up to now is 98.2 secs Computing kpt #: 230 total cpu time spent up to now is 98.5 secs Computing kpt #: 231 total cpu time spent up to now is 98.9 secs Computing kpt #: 232 total cpu time spent up to now is 99.3 secs Computing kpt #: 233 total cpu time spent up to now is 99.7 secs Computing kpt #: 234 total cpu time spent up to now is 100.1 secs Computing kpt #: 235 total cpu time spent up to now is 100.5 secs Computing kpt #: 236 total cpu time spent up to now is 100.9 secs Computing kpt #: 237 total cpu time spent up to now is 101.3 secs Computing kpt #: 238 total cpu time spent up to now is 101.7 secs Computing kpt #: 239 total cpu time spent up to now is 102.1 secs Computing kpt #: 240 total cpu time spent up to now is 102.5 secs Computing kpt #: 241 total cpu time spent up to now is 102.9 secs Computing kpt #: 242 total cpu time spent up to now is 103.3 secs Computing kpt #: 243 total cpu time spent up to now is 103.7 secs Computing kpt #: 244 total cpu time spent up to now is 104.1 secs Computing kpt #: 245 total cpu time spent up to now is 104.5 secs Computing kpt #: 246 total cpu time spent up to now is 104.9 secs Computing kpt #: 247 total cpu time spent up to now is 105.4 secs Computing kpt #: 248 total cpu time spent up to now is 105.9 secs Computing kpt #: 249 total cpu time spent up to now is 106.3 secs Computing kpt #: 250 total cpu time spent up to now is 106.8 secs Computing kpt #: 251 total cpu time spent up to now is 107.3 secs Computing kpt #: 252 total cpu time spent up to now is 107.8 secs Computing kpt #: 253 total cpu time spent up to now is 108.3 secs Computing kpt #: 254 total cpu time spent up to now is 108.8 secs Computing kpt #: 255 total cpu time spent up to now is 109.3 secs Computing kpt #: 256 total cpu time spent up to now is 109.8 secs Computing kpt #: 257 total cpu time spent up to now is 110.3 secs Computing kpt #: 258 total cpu time spent up to now is 110.9 secs Computing kpt #: 259 total cpu time spent up to now is 111.4 secs Computing kpt #: 260 total cpu time spent up to now is 111.9 secs Computing kpt #: 261 total cpu time spent up to now is 112.5 secs Computing kpt #: 262 total cpu time spent up to now is 113.0 secs Computing kpt #: 263 total cpu time spent up to now is 113.5 secs Computing kpt #: 264 total cpu time spent up to now is 114.0 secs Computing kpt #: 265 total cpu time spent up to now is 114.6 secs Computing kpt #: 266 total cpu time spent up to now is 115.1 secs Computing kpt #: 267 total cpu time spent up to now is 115.6 secs Computing kpt #: 268 total cpu time spent up to now is 116.1 secs Computing kpt #: 269 total cpu time spent up to now is 116.7 secs Computing kpt #: 270 total cpu time spent up to now is 117.2 secs Computing kpt #: 271 total cpu time spent up to now is 117.7 secs Computing kpt #: 272 total cpu time spent up to now is 118.2 secs Computing kpt #: 273 total cpu time spent up to now is 118.7 secs Computing kpt #: 274 total cpu time spent up to now is 119.2 secs Computing kpt #: 275 total cpu time spent up to now is 119.7 secs Computing kpt #: 276 total cpu time spent up to now is 120.2 secs Computing kpt #: 277 total cpu time spent up to now is 120.7 secs Computing kpt #: 278 total cpu time spent up to now is 121.2 secs Computing kpt #: 279 total cpu time spent up to now is 121.7 secs Computing kpt #: 280 total cpu time spent up to now is 122.2 secs Computing kpt #: 281 total cpu time spent up to now is 122.7 secs Computing kpt #: 282 total cpu time spent up to now is 123.1 secs Computing kpt #: 283 total cpu time spent up to now is 123.5 secs Computing kpt #: 284 total cpu time spent up to now is 124.0 secs Computing kpt #: 285 total cpu time spent up to now is 124.4 secs Computing kpt #: 286 total cpu time spent up to now is 124.8 secs Computing kpt #: 287 total cpu time spent up to now is 125.3 secs Computing kpt #: 288 total cpu time spent up to now is 125.7 secs Computing kpt #: 289 total cpu time spent up to now is 126.1 secs Computing kpt #: 290 total cpu time spent up to now is 126.5 secs Computing kpt #: 291 total cpu time spent up to now is 127.0 secs Computing kpt #: 292 total cpu time spent up to now is 127.4 secs Computing kpt #: 293 total cpu time spent up to now is 127.8 secs Computing kpt #: 294 total cpu time spent up to now is 128.3 secs Computing kpt #: 295 total cpu time spent up to now is 128.7 secs Computing kpt #: 296 total cpu time spent up to now is 129.1 secs Computing kpt #: 297 total cpu time spent up to now is 129.5 secs Computing kpt #: 298 total cpu time spent up to now is 129.9 secs Computing kpt #: 299 total cpu time spent up to now is 130.3 secs Computing kpt #: 300 total cpu time spent up to now is 130.8 secs Computing kpt #: 301 total cpu time spent up to now is 131.2 secs Computing kpt #: 302 total cpu time spent up to now is 131.6 secs Computing kpt #: 303 total cpu time spent up to now is 132.0 secs Computing kpt #: 304 total cpu time spent up to now is 132.5 secs Computing kpt #: 305 total cpu time spent up to now is 132.9 secs Computing kpt #: 306 total cpu time spent up to now is 133.4 secs Computing kpt #: 307 total cpu time spent up to now is 133.9 secs Computing kpt #: 308 total cpu time spent up to now is 134.4 secs Computing kpt #: 309 total cpu time spent up to now is 134.9 secs Computing kpt #: 310 total cpu time spent up to now is 135.4 secs Computing kpt #: 311 total cpu time spent up to now is 136.0 secs Computing kpt #: 312 total cpu time spent up to now is 136.6 secs Computing kpt #: 313 total cpu time spent up to now is 137.1 secs Computing kpt #: 314 total cpu time spent up to now is 137.7 secs Computing kpt #: 315 total cpu time spent up to now is 138.2 secs Computing kpt #: 316 total cpu time spent up to now is 138.7 secs Computing kpt #: 317 total cpu time spent up to now is 139.3 secs Computing kpt #: 318 total cpu time spent up to now is 139.8 secs Computing kpt #: 319 total cpu time spent up to now is 140.4 secs Computing kpt #: 320 total cpu time spent up to now is 141.0 secs Computing kpt #: 321 total cpu time spent up to now is 141.6 secs Computing kpt #: 322 total cpu time spent up to now is 142.2 secs Computing kpt #: 323 total cpu time spent up to now is 142.7 secs Computing kpt #: 324 total cpu time spent up to now is 143.2 secs Computing kpt #: 325 total cpu time spent up to now is 143.8 secs Computing kpt #: 326 total cpu time spent up to now is 144.3 secs Computing kpt #: 327 total cpu time spent up to now is 144.8 secs Computing kpt #: 328 total cpu time spent up to now is 145.3 secs Computing kpt #: 329 total cpu time spent up to now is 145.8 secs Computing kpt #: 330 total cpu time spent up to now is 146.3 secs Computing kpt #: 331 total cpu time spent up to now is 146.8 secs Computing kpt #: 332 total cpu time spent up to now is 147.3 secs Computing kpt #: 333 total cpu time spent up to now is 147.8 secs Computing kpt #: 334 total cpu time spent up to now is 148.3 secs Computing kpt #: 335 total cpu time spent up to now is 148.9 secs Computing kpt #: 336 total cpu time spent up to now is 149.5 secs Computing kpt #: 337 total cpu time spent up to now is 150.0 secs Computing kpt #: 338 total cpu time spent up to now is 150.5 secs Computing kpt #: 339 total cpu time spent up to now is 151.0 secs Computing kpt #: 340 total cpu time spent up to now is 151.5 secs Computing kpt #: 341 total cpu time spent up to now is 152.1 secs Computing kpt #: 342 total cpu time spent up to now is 152.6 secs Computing kpt #: 343 total cpu time spent up to now is 153.1 secs Computing kpt #: 344 total cpu time spent up to now is 153.6 secs Computing kpt #: 345 total cpu time spent up to now is 154.1 secs Computing kpt #: 346 total cpu time spent up to now is 154.6 secs Computing kpt #: 347 total cpu time spent up to now is 155.1 secs Computing kpt #: 348 total cpu time spent up to now is 155.6 secs Computing kpt #: 349 total cpu time spent up to now is 156.1 secs Computing kpt #: 350 total cpu time spent up to now is 156.6 secs Computing kpt #: 351 total cpu time spent up to now is 157.1 secs Computing kpt #: 352 total cpu time spent up to now is 157.6 secs Computing kpt #: 353 total cpu time spent up to now is 158.1 secs Computing kpt #: 354 total cpu time spent up to now is 158.5 secs Computing kpt #: 355 total cpu time spent up to now is 158.9 secs Computing kpt #: 356 total cpu time spent up to now is 159.3 secs Computing kpt #: 357 total cpu time spent up to now is 159.7 secs Computing kpt #: 358 total cpu time spent up to now is 160.2 secs Computing kpt #: 359 total cpu time spent up to now is 160.6 secs Computing kpt #: 360 total cpu time spent up to now is 161.0 secs Computing kpt #: 361 total cpu time spent up to now is 161.4 secs Computing kpt #: 362 total cpu time spent up to now is 161.8 secs Computing kpt #: 363 total cpu time spent up to now is 162.2 secs Computing kpt #: 364 total cpu time spent up to now is 162.6 secs Computing kpt #: 365 total cpu time spent up to now is 163.0 secs Computing kpt #: 366 total cpu time spent up to now is 163.4 secs Computing kpt #: 367 total cpu time spent up to now is 163.8 secs Computing kpt #: 368 total cpu time spent up to now is 164.1 secs Computing kpt #: 369 total cpu time spent up to now is 164.5 secs Computing kpt #: 370 total cpu time spent up to now is 164.9 secs Computing kpt #: 371 total cpu time spent up to now is 165.3 secs Computing kpt #: 372 total cpu time spent up to now is 165.7 secs Computing kpt #: 373 total cpu time spent up to now is 166.0 secs Computing kpt #: 374 total cpu time spent up to now is 166.4 secs Computing kpt #: 375 total cpu time spent up to now is 166.8 secs Computing kpt #: 376 total cpu time spent up to now is 167.2 secs Computing kpt #: 377 total cpu time spent up to now is 167.6 secs Computing kpt #: 378 total cpu time spent up to now is 167.9 secs Computing kpt #: 379 total cpu time spent up to now is 168.3 secs Computing kpt #: 380 total cpu time spent up to now is 168.6 secs Computing kpt #: 381 total cpu time spent up to now is 169.0 secs Computing kpt #: 382 total cpu time spent up to now is 169.4 secs Computing kpt #: 383 total cpu time spent up to now is 169.7 secs Computing kpt #: 384 total cpu time spent up to now is 170.1 secs Computing kpt #: 385 total cpu time spent up to now is 170.4 secs Computing kpt #: 386 total cpu time spent up to now is 170.8 secs Computing kpt #: 387 total cpu time spent up to now is 171.1 secs Computing kpt #: 388 total cpu time spent up to now is 171.5 secs Computing kpt #: 389 total cpu time spent up to now is 171.8 secs Computing kpt #: 390 total cpu time spent up to now is 172.2 secs Computing kpt #: 391 total cpu time spent up to now is 172.5 secs Computing kpt #: 392 total cpu time spent up to now is 172.8 secs Computing kpt #: 393 total cpu time spent up to now is 173.2 secs Computing kpt #: 394 total cpu time spent up to now is 173.5 secs Computing kpt #: 395 total cpu time spent up to now is 173.9 secs Computing kpt #: 396 total cpu time spent up to now is 174.2 secs Computing kpt #: 397 total cpu time spent up to now is 174.5 secs Computing kpt #: 398 total cpu time spent up to now is 174.9 secs Computing kpt #: 399 total cpu time spent up to now is 175.2 secs Computing kpt #: 400 total cpu time spent up to now is 175.5 secs Computing kpt #: 401 total cpu time spent up to now is 175.9 secs Computing kpt #: 402 total cpu time spent up to now is 176.2 secs Computing kpt #: 403 total cpu time spent up to now is 176.6 secs Computing kpt #: 404 total cpu time spent up to now is 176.9 secs Computing kpt #: 405 total cpu time spent up to now is 177.2 secs Computing kpt #: 406 total cpu time spent up to now is 177.8 secs Computing kpt #: 407 total cpu time spent up to now is 178.3 secs Computing kpt #: 408 total cpu time spent up to now is 178.8 secs Computing kpt #: 409 total cpu time spent up to now is 179.3 secs Computing kpt #: 410 total cpu time spent up to now is 179.7 secs Computing kpt #: 411 total cpu time spent up to now is 180.2 secs Computing kpt #: 412 total cpu time spent up to now is 180.6 secs Computing kpt #: 413 total cpu time spent up to now is 181.1 secs Computing kpt #: 414 total cpu time spent up to now is 181.6 secs Computing kpt #: 415 total cpu time spent up to now is 182.1 secs Computing kpt #: 416 total cpu time spent up to now is 182.7 secs Computing kpt #: 417 total cpu time spent up to now is 183.2 secs Computing kpt #: 418 total cpu time spent up to now is 183.7 secs Computing kpt #: 419 total cpu time spent up to now is 184.2 secs Computing kpt #: 420 total cpu time spent up to now is 184.7 secs Computing kpt #: 421 total cpu time spent up to now is 185.3 secs Computing kpt #: 422 total cpu time spent up to now is 185.8 secs Computing kpt #: 423 total cpu time spent up to now is 186.3 secs Computing kpt #: 424 total cpu time spent up to now is 186.8 secs Computing kpt #: 425 total cpu time spent up to now is 187.3 secs Computing kpt #: 426 total cpu time spent up to now is 187.9 secs Computing kpt #: 427 total cpu time spent up to now is 188.4 secs Computing kpt #: 428 total cpu time spent up to now is 188.9 secs Computing kpt #: 429 total cpu time spent up to now is 189.4 secs ethr = 3.13E-08, avg # of iterations = 18.3 total cpu time spent up to now is 189.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3851 PWs) bands (ev): -81.0310 -81.0310 -46.6888 -46.6888 -44.9541 -44.9541 -44.9496 -44.9496 -33.7455 -33.7455 -9.0887 -9.0887 -7.3732 -7.3732 4.0122 4.0122 5.7632 5.7632 5.7795 5.7795 8.7696 8.7696 8.9051 8.9051 8.9361 8.9361 9.8321 9.8321 9.8396 9.8396 10.8338 10.8338 13.0518 13.0518 13.0863 13.0863 16.9224 16.9224 18.9718 18.9718 k = 0.0076-0.0117-0.0071 ( 3851 PWs) bands (ev): -81.0310 -81.0310 -46.6888 -46.6888 -44.9541 -44.9541 -44.9496 -44.9496 -33.7455 -33.7455 -9.0880 -9.0880 -7.3731 -7.3731 4.0130 4.0130 5.7627 5.7627 5.7791 5.7791 8.7702 8.7702 8.9009 8.9009 8.9317 8.9317 9.8349 9.8349 9.8422 9.8422 10.8341 10.8341 13.0505 13.0505 13.0851 13.0851 16.9249 16.9249 18.9753 18.9753 k = 0.0152-0.0233-0.0143 ( 3851 PWs) bands (ev): -81.0310 -81.0310 -46.6889 -46.6889 -44.9542 -44.9542 -44.9496 -44.9496 -33.7454 -33.7454 -9.0859 -9.0859 -7.3728 -7.3728 4.0156 4.0156 5.7606 5.7606 5.7782 5.7782 8.7719 8.7719 8.8878 8.8878 8.9192 8.9192 9.8430 9.8430 9.8500 9.8500 10.8351 10.8351 13.0464 13.0464 13.0815 13.0815 16.9324 16.9324 18.9858 18.9858 k = 0.0227-0.0350-0.0214 ( 3853 PWs) bands (ev): -81.0309 -81.0309 -46.6890 -46.6890 -44.9544 -44.9544 -44.9497 -44.9497 -33.7453 -33.7453 -9.0825 -9.0825 -7.3724 -7.3724 4.0198 4.0198 5.7560 5.7560 5.7779 5.7779 8.7740 8.7740 8.8653 8.8653 8.9007 8.9007 9.8557 9.8557 9.8629 9.8629 10.8367 10.8367 13.0389 13.0389 13.0764 13.0764 16.9448 16.9448 19.0032 19.0032 k = 0.0303-0.0467-0.0285 ( 3849 PWs) bands (ev): -81.0309 -81.0309 -46.6891 -46.6891 -44.9547 -44.9547 -44.9497 -44.9497 -33.7451 -33.7451 -9.0777 -9.0777 -7.3717 -7.3717 4.0257 4.0257 5.7483 5.7483 5.7788 5.7788 8.7743 8.7743 8.8353 8.8353 8.8781 8.8781 9.8715 9.8715 9.8807 9.8807 10.8390 10.8390 13.0274 13.0274 13.0704 13.0704 16.9621 16.9621 19.0273 19.0273 k = 0.0379-0.0584-0.0357 ( 3849 PWs) bands (ev): -81.0308 -81.0308 -46.6892 -46.6892 -44.9550 -44.9550 -44.9497 -44.9497 -33.7450 -33.7450 -9.0715 -9.0715 -7.3710 -7.3710 4.0333 4.0333 5.7377 5.7377 5.7809 5.7809 8.7608 8.7608 8.8100 8.8100 8.8527 8.8527 9.8894 9.8894 9.9030 9.9030 10.8419 10.8419 13.0116 13.0116 13.0641 13.0641 16.9842 16.9842 19.0580 19.0580 k = 0.0455-0.0700-0.0428 ( 3847 PWs) bands (ev): -81.0308 -81.0308 -46.6894 -46.6894 -44.9553 -44.9553 -44.9498 -44.9498 -33.7447 -33.7447 -9.0640 -9.0640 -7.3700 -7.3700 4.0426 4.0426 5.7246 5.7246 5.7839 5.7839 8.7190 8.7190 8.8020 8.8020 8.8276 8.8276 9.9087 9.9087 9.9291 9.9291 10.8454 10.8454 12.9917 12.9917 13.0575 13.0575 17.0110 17.0110 19.0951 19.0951 k = 0.0530-0.0817-0.0499 ( 3843 PWs) bands (ev): -81.0307 -81.0307 -46.6896 -46.6896 -44.9558 -44.9558 -44.9498 -44.9498 -33.7445 -33.7445 -9.0551 -9.0551 -7.3688 -7.3688 4.0536 4.0536 5.7091 5.7091 5.7877 5.7877 8.6620 8.6620 8.7829 8.7829 8.8197 8.8197 9.9286 9.9286 9.9580 9.9580 10.8495 10.8495 12.9682 12.9682 13.0506 13.0506 17.0423 17.0423 19.1382 19.1382 k = 0.0606-0.0934-0.0571 ( 3843 PWs) bands (ev): -81.0306 -81.0306 -46.6899 -46.6899 -44.9563 -44.9563 -44.9499 -44.9499 -33.7442 -33.7442 -9.0450 -9.0450 -7.3676 -7.3676 4.0662 4.0662 5.6915 5.6915 5.7922 5.7922 8.5970 8.5970 8.7503 8.7503 8.8255 8.8255 9.9488 9.9488 9.9891 9.9891 10.8542 10.8542 12.9415 12.9415 13.0433 13.0433 17.0782 17.0782 19.1871 19.1871 k = 0.0682-0.1050-0.0642 ( 3841 PWs) bands (ev): -81.0306 -81.0306 -46.6902 -46.6902 -44.9569 -44.9569 -44.9499 -44.9499 -33.7438 -33.7438 -9.0334 -9.0334 -7.3661 -7.3661 4.0804 4.0804 5.6720 5.6720 5.7972 5.7972 8.5259 8.5259 8.7140 8.7140 8.8341 8.8341 9.9686 9.9686 10.0219 10.0219 10.8593 10.8593 12.9122 12.9122 13.0354 13.0354 17.1183 17.1183 19.2413 19.2413 k = 0.0758-0.1167-0.0713 ( 3842 PWs) bands (ev): -81.0305 -81.0305 -46.6905 -46.6905 -44.9575 -44.9575 -44.9499 -44.9499 -33.7434 -33.7434 -9.0206 -9.0206 -7.3645 -7.3645 4.0962 4.0962 5.6508 5.6508 5.8029 5.8029 8.4498 8.4498 8.6756 8.6756 8.8434 8.8434 9.9877 9.9877 10.0559 10.0559 10.8649 10.8649 12.8806 12.8806 13.0271 13.0271 17.1626 17.1626 19.3007 19.3007 k = 0.0833-0.1284-0.0785 ( 3842 PWs) bands (ev): -81.0304 -81.0304 -46.6908 -46.6908 -44.9583 -44.9583 -44.9500 -44.9500 -33.7430 -33.7430 -9.0065 -9.0065 -7.3628 -7.3628 4.1137 4.1137 5.6281 5.6281 5.8091 5.8091 8.3695 8.3695 8.6359 8.6359 8.8529 8.8529 10.0059 10.0059 10.0907 10.0907 10.8709 10.8709 12.8473 12.8473 13.0181 13.0181 17.2108 17.2108 19.3647 19.3647 k = 0.0909-0.1401-0.0856 ( 3842 PWs) bands (ev): -81.0302 -81.0302 -46.6912 -46.6912 -44.9591 -44.9591 -44.9500 -44.9500 -33.7426 -33.7426 -8.9911 -8.9911 -7.3609 -7.3609 4.1327 4.1327 5.6042 5.6042 5.8158 5.8158 8.2853 8.2853 8.5951 8.5951 8.8621 8.8621 10.0229 10.0229 10.1260 10.1260 10.8773 10.8773 12.8127 12.8127 13.0087 13.0087 17.2627 17.2627 19.4331 19.4331 k = 0.0985-0.1517-0.0927 ( 3846 PWs) bands (ev): -81.0301 -81.0301 -46.6916 -46.6916 -44.9599 -44.9599 -44.9501 -44.9501 -33.7421 -33.7421 -8.9745 -8.9745 -7.3589 -7.3589 4.1532 4.1532 5.5791 5.5791 5.8230 5.8230 8.1977 8.1977 8.5537 8.5537 8.8705 8.8705 10.0387 10.0387 10.1614 10.1614 10.8841 10.8841 12.7771 12.7771 12.9989 12.9989 17.3182 17.3182 19.5053 19.5053 k = 0.1061-0.1634-0.0999 ( 3844 PWs) bands (ev): -81.0300 -81.0300 -46.6920 -46.6920 -44.9608 -44.9608 -44.9501 -44.9501 -33.7416 -33.7416 -8.9566 -8.9566 -7.3568 -7.3568 4.1753 4.1753 5.5531 5.5531 5.8307 5.8307 8.1072 8.1072 8.5118 8.5118 8.8779 8.8779 10.0532 10.0532 10.1967 10.1967 10.8911 10.8911 12.7412 12.7412 12.9886 12.9886 17.3770 17.3770 19.5811 19.5811 k = 0.1136-0.1751-0.1070 ( 3846 PWs) bands (ev): -81.0299 -81.0299 -46.6925 -46.6925 -44.9618 -44.9618 -44.9501 -44.9501 -33.7410 -33.7410 -8.9376 -8.9376 -7.3545 -7.3545 4.1988 4.1988 5.5264 5.5264 5.8387 5.8387 8.0141 8.0141 8.4698 8.4698 8.8838 8.8838 10.0663 10.0663 10.2317 10.2317 10.8983 10.8983 12.7052 12.7052 12.9780 12.9780 17.4390 17.4390 19.6601 19.6601 k = 0.1212-0.1868-0.1141 ( 3847 PWs) bands (ev): -81.0297 -81.0297 -46.6930 -46.6930 -44.9629 -44.9629 -44.9502 -44.9502 -33.7404 -33.7404 -8.9174 -8.9174 -7.3522 -7.3522 4.2237 4.2237 5.4991 5.4991 5.8471 5.8471 7.9186 7.9186 8.4277 8.4277 8.8880 8.8880 10.0780 10.0780 10.2661 10.2661 10.9057 10.9057 12.6696 12.6696 12.9672 12.9672 17.5038 17.5038 19.7418 19.7418 k = 0.1288-0.1984-0.1213 ( 3845 PWs) bands (ev): -81.0295 -81.0295 -46.6935 -46.6935 -44.9640 -44.9640 -44.9502 -44.9502 -33.7398 -33.7398 -8.8960 -8.8960 -7.3498 -7.3498 4.2501 4.2501 5.4714 5.4714 5.8559 5.8559 7.8212 7.8212 8.3857 8.3857 8.8902 8.8902 10.0884 10.0884 10.2998 10.2998 10.9132 10.9132 12.6348 12.6348 12.9562 12.9562 17.5713 17.5713 19.8259 19.8259 k = 0.1364-0.2101-0.1284 ( 3847 PWs) bands (ev): -81.0294 -81.0294 -46.6940 -46.6940 -44.9651 -44.9651 -44.9502 -44.9502 -33.7392 -33.7392 -8.8735 -8.8735 -7.3473 -7.3473 4.2778 4.2778 5.4436 5.4436 5.8649 5.8649 7.7219 7.7219 8.3440 8.3440 8.8901 8.8901 10.0975 10.0975 10.3327 10.3327 10.9207 10.9207 12.6012 12.6012 12.9451 12.9451 17.6412 17.6412 19.9120 19.9120 k = 0.1439-0.2218-0.1355 ( 3841 PWs) bands (ev): -81.0292 -81.0292 -46.6946 -46.6946 -44.9663 -44.9663 -44.9503 -44.9503 -33.7385 -33.7385 -8.8499 -8.8499 -7.3447 -7.3447 4.3067 4.3067 5.4157 5.4157 5.8741 5.8741 7.6211 7.6211 8.3028 8.3028 8.8874 8.8874 10.1053 10.1053 10.3646 10.3646 10.9283 10.9283 12.5690 12.5690 12.9340 12.9340 17.7134 17.7134 19.9998 19.9998 k = 0.1515-0.2334-0.1427 ( 3840 PWs) bands (ev): -81.0290 -81.0290 -46.6951 -46.6951 -44.9675 -44.9675 -44.9503 -44.9503 -33.7378 -33.7378 -8.8252 -8.8252 -7.3421 -7.3421 4.3368 4.3368 5.3880 5.3880 5.8836 5.8836 7.5191 7.5191 8.2622 8.2622 8.8819 8.8819 10.1119 10.1119 10.3953 10.3953 10.9358 10.9358 12.5386 12.5386 12.9229 12.9229 17.7875 17.7875 20.0888 20.0888 k = 0.1591-0.2451-0.1498 ( 3837 PWs) bands (ev): -81.0289 -81.0289 -46.6957 -46.6957 -44.9688 -44.9688 -44.9503 -44.9503 -33.7371 -33.7371 -8.7996 -8.7996 -7.3394 -7.3394 4.3681 4.3681 5.3606 5.3606 5.8932 5.8932 7.4161 7.4161 8.2222 8.2222 8.8733 8.8733 10.1175 10.1175 10.4248 10.4248 10.9433 10.9433 12.5102 12.5102 12.9120 12.9120 17.8634 17.8634 20.1788 20.1788 k = 0.1667-0.2568-0.1569 ( 3837 PWs) bands (ev): -81.0287 -81.0287 -46.6963 -46.6963 -44.9701 -44.9701 -44.9504 -44.9504 -33.7363 -33.7363 -8.7729 -8.7729 -7.3367 -7.3367 4.4003 4.4003 5.3336 5.3336 5.9028 5.9028 7.3122 7.3122 8.1831 8.1831 8.8616 8.8616 10.1219 10.1219 10.4529 10.4529 10.9506 10.9506 12.4840 12.4840 12.9013 12.9013 17.9408 17.9408 20.2694 20.2694 k = 0.1742-0.2685-0.1641 ( 3840 PWs) bands (ev): -81.0285 -81.0285 -46.6970 -46.6970 -44.9715 -44.9715 -44.9504 -44.9504 -33.7356 -33.7356 -8.7454 -8.7454 -7.3339 -7.3339 4.4334 4.4334 5.3073 5.3073 5.9126 5.9126 7.2078 7.2078 8.1448 8.1448 8.8466 8.8466 10.1253 10.1253 10.4795 10.4795 10.9577 10.9577 12.4603 12.4603 12.8909 12.8909 18.0196 18.0196 20.3602 20.3602 k = 0.1818-0.2801-0.1712 ( 3842 PWs) bands (ev): -81.0283 -81.0283 -46.6976 -46.6976 -44.9729 -44.9729 -44.9504 -44.9504 -33.7348 -33.7348 -8.7169 -8.7169 -7.3312 -7.3312 4.4673 4.4673 5.2818 5.2818 5.9223 5.9223 7.1031 7.1031 8.1075 8.1075 8.8283 8.8283 10.1278 10.1278 10.5047 10.5047 10.9646 10.9646 12.4391 12.4391 12.8809 12.8809 18.0994 18.0994 20.4510 20.4510 k = 0.1894-0.2918-0.1783 ( 3847 PWs) bands (ev): -81.0281 -81.0281 -46.6983 -46.6983 -44.9743 -44.9743 -44.9505 -44.9505 -33.7340 -33.7340 -8.6876 -8.6876 -7.3285 -7.3285 4.5017 4.5017 5.2573 5.2573 5.9319 5.9319 6.9982 6.9982 8.0713 8.0713 8.8065 8.8065 10.1294 10.1294 10.5282 10.5282 10.9713 10.9713 12.4205 12.4205 12.8714 12.8714 18.1801 18.1801 20.5414 20.5414 k = 0.1970-0.3035-0.1855 ( 3850 PWs) bands (ev): -81.0279 -81.0279 -46.6990 -46.6990 -44.9758 -44.9758 -44.9505 -44.9505 -33.7332 -33.7332 -8.6574 -8.6574 -7.3257 -7.3257 4.5364 4.5364 5.2341 5.2341 5.9414 5.9414 6.8936 6.8936 8.0362 8.0362 8.7814 8.7814 10.1302 10.1302 10.5501 10.5501 10.9776 10.9776 12.4046 12.4046 12.8624 12.8624 18.2615 18.2615 20.6311 20.6311 k = 0.2045-0.3151-0.1926 ( 3843 PWs) bands (ev): -81.0277 -81.0277 -46.6997 -46.6997 -44.9773 -44.9773 -44.9505 -44.9505 -33.7323 -33.7323 -8.6265 -8.6265 -7.3231 -7.3231 4.5711 4.5711 5.2124 5.2124 5.9507 5.9507 6.7893 6.7893 8.0025 8.0025 8.7529 8.7529 10.1302 10.1302 10.5703 10.5703 10.9837 10.9837 12.3913 12.3913 12.8539 12.8539 18.3433 18.3433 20.7199 20.7199 k = 0.2121-0.3268-0.1997 ( 3843 PWs) bands (ev): -81.0275 -81.0275 -46.7004 -46.7004 -44.9788 -44.9788 -44.9506 -44.9506 -33.7315 -33.7315 -8.5949 -8.5949 -7.3204 -7.3204 4.6053 4.6053 5.1925 5.1925 5.9597 5.9597 6.6856 6.6856 7.9700 7.9700 8.7212 8.7212 10.1294 10.1294 10.5887 10.5887 10.9894 10.9894 12.3806 12.3806 12.8462 12.8462 18.4254 18.4254 20.8073 20.8073 k = 0.2197-0.3385-0.2069 ( 3845 PWs) bands (ev): -81.0272 -81.0272 -46.7011 -46.7011 -44.9803 -44.9803 -44.9506 -44.9506 -33.7306 -33.7306 -8.5627 -8.5627 -7.3178 -7.3178 4.6387 4.6387 5.1749 5.1749 5.9684 5.9684 6.5828 6.5828 7.9389 7.9389 8.6864 8.6864 10.1280 10.1280 10.6054 10.6054 10.9947 10.9947 12.3724 12.3724 12.8391 12.8391 18.5076 18.5076 20.8932 20.8932 k = 0.2273-0.3502-0.2140 ( 3846 PWs) bands (ev): -81.0270 -81.0270 -46.7018 -46.7018 -44.9818 -44.9818 -44.9506 -44.9506 -33.7298 -33.7298 -8.5298 -8.5298 -7.3153 -7.3153 4.6705 4.6705 5.1601 5.1601 5.9768 5.9768 6.4812 6.4812 7.9092 7.9092 8.6487 8.6487 10.1260 10.1260 10.6202 10.6202 10.9995 10.9995 12.3666 12.3666 12.8327 12.8327 18.5896 18.5896 20.9772 20.9772 k = 0.2348-0.3618-0.2211 ( 3840 PWs) bands (ev): -81.0268 -81.0268 -46.7025 -46.7025 -44.9833 -44.9833 -44.9507 -44.9507 -33.7289 -33.7289 -8.4964 -8.4964 -7.3128 -7.3128 4.6997 4.6997 5.1490 5.1490 5.9847 5.9847 6.3812 6.3812 7.8811 7.8811 8.6082 8.6082 10.1234 10.1234 10.6333 10.6333 11.0040 11.0040 12.3631 12.3631 12.8271 12.8271 18.6714 18.6714 21.0591 21.0591 k = 0.2424-0.3735-0.2283 ( 3844 PWs) bands (ev): -81.0266 -81.0266 -46.7033 -46.7033 -44.9849 -44.9849 -44.9507 -44.9507 -33.7280 -33.7280 -8.4625 -8.4625 -7.3105 -7.3105 4.7254 4.7254 5.1423 5.1423 5.9922 5.9922 6.2829 6.2829 7.8545 7.8545 8.5653 8.5653 10.1202 10.1202 10.6445 10.6445 11.0079 11.0079 12.3617 12.3617 12.8223 12.8223 18.7526 18.7526 21.1386 21.1386 k = 0.2500-0.3852-0.2354 ( 3840 PWs) bands (ev): -81.0264 -81.0264 -46.7040 -46.7040 -44.9864 -44.9864 -44.9507 -44.9507 -33.7272 -33.7272 -8.4282 -8.4282 -7.3082 -7.3082 4.7462 4.7462 5.1411 5.1411 5.9991 5.9991 6.1868 6.1868 7.8296 7.8296 8.5201 8.5201 10.1166 10.1166 10.6540 10.6540 11.0113 11.0113 12.3622 12.3622 12.8183 12.8183 18.8332 18.8332 21.2155 21.2155 k = 0.2576-0.3969-0.2425 ( 3839 PWs) bands (ev): -81.0261 -81.0261 -46.7047 -46.7047 -44.9880 -44.9880 -44.9507 -44.9507 -33.7263 -33.7263 -8.3935 -8.3935 -7.3061 -7.3061 4.7610 4.7610 5.1462 5.1462 6.0054 6.0054 6.0933 6.0933 7.8062 7.8062 8.4729 8.4729 10.1124 10.1124 10.6618 10.6618 11.0142 11.0142 12.3644 12.3644 12.8151 12.8151 18.9129 18.9129 21.2895 21.2895 k = 0.2652-0.4085-0.2497 ( 3833 PWs) bands (ev): -81.0259 -81.0259 -46.7054 -46.7054 -44.9895 -44.9895 -44.9508 -44.9508 -33.7254 -33.7254 -8.3585 -8.3585 -7.3041 -7.3041 4.7690 4.7690 5.1582 5.1582 6.0007 6.0007 6.0131 6.0131 7.7846 7.7846 8.4240 8.4240 10.1078 10.1078 10.6678 10.6678 11.0165 11.0165 12.3681 12.3681 12.8128 12.8128 18.9917 18.9917 21.3605 21.3605 k = 0.2727-0.4202-0.2568 ( 3833 PWs) bands (ev): -81.0257 -81.0257 -46.7062 -46.7062 -44.9910 -44.9910 -44.9508 -44.9508 -33.7246 -33.7246 -8.3233 -8.3233 -7.3022 -7.3022 4.7699 4.7699 5.1767 5.1767 5.9151 5.9151 6.0167 6.0167 7.7646 7.7646 8.3737 8.3737 10.1028 10.1028 10.6722 10.6722 11.0183 11.0183 12.3732 12.3732 12.8112 12.8112 19.0693 19.0693 21.4281 21.4281 k = 0.2803-0.4319-0.2639 ( 3833 PWs) bands (ev): -81.0255 -81.0255 -46.7069 -46.7069 -44.9925 -44.9925 -44.9508 -44.9508 -33.7237 -33.7237 -8.2879 -8.2879 -7.3005 -7.3005 4.7641 4.7641 5.2011 5.2011 5.8321 5.8321 6.0211 6.0211 7.7462 7.7462 8.3222 8.3222 10.0974 10.0974 10.6751 10.6751 11.0194 11.0194 12.3795 12.3795 12.8103 12.8103 19.1456 19.1456 21.4923 21.4923 k = 0.2879-0.4435-0.2711 ( 3831 PWs) bands (ev): -81.0253 -81.0253 -46.7076 -46.7076 -44.9940 -44.9940 -44.9509 -44.9509 -33.7229 -33.7229 -8.2525 -8.2525 -7.2990 -7.2990 4.7521 4.7521 5.2300 5.2300 5.7536 5.7536 6.0249 6.0249 7.7296 7.7296 8.2699 8.2699 10.0917 10.0917 10.6764 10.6764 11.0199 11.0199 12.3867 12.3867 12.8102 12.8102 19.2205 19.2205 21.5529 21.5529 k = 0.2955-0.4552-0.2782 ( 3829 PWs) bands (ev): -81.0251 -81.0251 -46.7083 -46.7083 -44.9955 -44.9955 -44.9509 -44.9509 -33.7220 -33.7220 -8.2170 -8.2170 -7.2977 -7.2977 4.7347 4.7347 5.2624 5.2624 5.6803 5.6803 6.0280 6.0280 7.7146 7.7146 8.2171 8.2171 10.0856 10.0856 10.6763 10.6763 11.0198 11.0198 12.3948 12.3948 12.8108 12.8108 19.2938 19.2938 21.6096 21.6096 k = 0.3030-0.4669-0.2853 ( 3831 PWs) bands (ev): -81.0249 -81.0249 -46.7090 -46.7090 -44.9970 -44.9970 -44.9509 -44.9509 -33.7212 -33.7212 -8.1815 -8.1815 -7.2966 -7.2966 4.7121 4.7121 5.2970 5.2970 5.6128 5.6128 6.0305 6.0305 7.7013 7.7013 8.1641 8.1641 10.0791 10.0791 10.6748 10.6748 11.0190 11.0190 12.4035 12.4035 12.8120 12.8120 19.3655 19.3655 21.6625 21.6625 k = 0.3106-0.4786-0.2925 ( 3831 PWs) bands (ev): -81.0247 -81.0247 -46.7097 -46.7097 -44.9984 -44.9984 -44.9509 -44.9509 -33.7204 -33.7204 -8.1462 -8.1462 -7.2957 -7.2957 4.6847 4.6847 5.3330 5.3330 5.5518 5.5518 6.0322 6.0322 7.6895 7.6895 8.1111 8.1111 10.0724 10.0724 10.6722 10.6722 11.0176 11.0176 12.4127 12.4127 12.8138 12.8138 19.4353 19.4353 21.7115 21.7115 k = 0.3182-0.4902-0.2996 ( 3827 PWs) bands (ev): -81.0245 -81.0245 -46.7104 -46.7104 -44.9998 -44.9998 -44.9509 -44.9509 -33.7196 -33.7196 -8.1111 -8.1111 -7.2950 -7.2950 4.6528 4.6528 5.3692 5.3692 5.4980 5.4980 6.0333 6.0333 7.6793 7.6793 8.0585 8.0585 10.0655 10.0655 10.6684 10.6684 11.0155 11.0155 12.4222 12.4222 12.8162 12.8162 19.5033 19.5033 21.7564 21.7564 k = 0.3258-0.5019-0.3067 ( 3822 PWs) bands (ev): -81.0243 -81.0243 -46.7111 -46.7111 -45.0012 -45.0012 -44.9510 -44.9510 -33.7188 -33.7188 -8.0763 -8.0763 -7.2946 -7.2946 4.6166 4.6166 5.4025 5.4025 5.4544 5.4544 6.0338 6.0338 7.6705 7.6705 8.0067 8.0067 10.0582 10.0582 10.6635 10.6635 11.0128 11.0128 12.4320 12.4320 12.8190 12.8190 19.5692 19.5692 21.7974 21.7974 k = 0.3333-0.5136-0.3139 ( 3825 PWs) bands (ev): -81.0241 -81.0241 -46.7117 -46.7117 -45.0025 -45.0025 -44.9510 -44.9510 -33.7180 -33.7180 -8.0418 -8.0418 -7.2944 -7.2944 4.5765 4.5765 5.4010 5.4010 5.4523 5.4523 6.0337 6.0337 7.6631 7.6631 7.9558 7.9558 10.0508 10.0508 10.6578 10.6578 11.0095 11.0095 12.4418 12.4418 12.8223 12.8223 19.6331 19.6331 21.8343 21.8343 k = 0.3409-0.5252-0.3210 ( 3823 PWs) bands (ev): -81.0239 -81.0239 -46.7124 -46.7124 -45.0038 -45.0038 -44.9510 -44.9510 -33.7173 -33.7173 -8.0077 -8.0077 -7.2945 -7.2945 4.5329 4.5329 5.3711 5.3711 5.4846 5.4846 6.0330 6.0330 7.6570 7.6570 7.9062 7.9062 10.0431 10.0431 10.6513 10.6513 11.0056 11.0056 12.4517 12.4517 12.8259 12.8259 19.6948 19.6948 21.8673 21.8673 k = 0.3485-0.5369-0.3281 ( 3825 PWs) bands (ev): -81.0237 -81.0237 -46.7130 -46.7130 -45.0051 -45.0051 -44.9510 -44.9510 -33.7165 -33.7165 -7.9741 -7.9741 -7.2949 -7.2949 4.4866 4.4866 5.3449 5.3449 5.5186 5.5186 6.0318 6.0318 7.6521 7.6521 7.8583 7.8583 10.0353 10.0353 10.6441 10.6441 11.0012 11.0012 12.4615 12.4615 12.8298 12.8298 19.7543 19.7543 21.8965 21.8965 k = 0.3561-0.5486-0.3353 ( 3827 PWs) bands (ev): -81.0235 -81.0235 -46.7136 -46.7136 -45.0063 -45.0063 -44.9511 -44.9511 -33.7159 -33.7159 -7.9412 -7.9412 -7.2956 -7.2956 4.4382 4.4382 5.3241 5.3241 5.5516 5.5516 6.0302 6.0302 7.6482 7.6482 7.8123 7.8123 10.0273 10.0273 10.6363 10.6363 10.9963 10.9963 12.4712 12.4712 12.8339 12.8339 19.8114 19.8114 21.9219 21.9219 k = 0.3636-0.5603-0.3424 ( 3825 PWs) bands (ev): -81.0233 -81.0233 -46.7142 -46.7142 -45.0075 -45.0075 -44.9511 -44.9511 -33.7152 -33.7152 -7.9088 -7.9088 -7.2966 -7.2966 4.3884 4.3884 5.3085 5.3085 5.5829 5.5829 6.0281 6.0281 7.6450 7.6450 7.7687 7.7687 10.0192 10.0192 10.6281 10.6281 10.9909 10.9909 12.4806 12.4806 12.8382 12.8382 19.8661 19.8661 21.9438 21.9438 k = 0.3712-0.5719-0.3495 ( 3831 PWs) bands (ev): -81.0232 -81.0232 -46.7147 -46.7147 -45.0086 -45.0086 -44.9511 -44.9511 -33.7145 -33.7145 -7.8772 -7.8772 -7.2980 -7.2980 4.3381 4.3381 5.2977 5.2977 5.6120 5.6120 6.0257 6.0257 7.6423 7.6423 7.7280 7.7280 10.0110 10.0110 10.6196 10.6196 10.9851 10.9851 12.4897 12.4897 12.8427 12.8427 19.9183 19.9183 21.9624 21.9624 k = 0.3788-0.5836-0.3567 ( 3825 PWs) bands (ev): -81.0230 -81.0230 -46.7152 -46.7152 -45.0097 -45.0097 -44.9511 -44.9511 -33.7139 -33.7139 -7.8465 -7.8465 -7.2997 -7.2997 4.2878 4.2878 5.2911 5.2911 5.6387 5.6387 6.0231 6.0231 7.6387 7.6387 7.6916 7.6916 10.0028 10.0028 10.6109 10.6109 10.9789 10.9789 12.4985 12.4985 12.8472 12.8472 19.9681 19.9681 21.9778 21.9778 k = 0.3864-0.5953-0.3638 ( 3821 PWs) bands (ev): -81.0229 -81.0229 -46.7157 -46.7157 -45.0107 -45.0107 -44.9511 -44.9511 -33.7133 -33.7133 -7.8166 -7.8166 -7.3017 -7.3017 4.2383 4.2383 5.2882 5.2882 5.6626 5.6626 6.0202 6.0202 7.6292 7.6292 7.6646 7.6646 9.9946 9.9946 10.6020 10.6020 10.9725 10.9725 12.5069 12.5069 12.8517 12.8517 20.0152 20.0152 21.9904 21.9904 k = 0.3939-0.6069-0.3709 ( 3825 PWs) bands (ev): -81.0227 -81.0227 -46.7162 -46.7162 -45.0117 -45.0117 -44.9511 -44.9511 -33.7128 -33.7128 -7.7877 -7.7877 -7.3041 -7.3041 4.1901 4.1901 5.2885 5.2885 5.6836 5.6836 6.0171 6.0171 7.6069 7.6069 7.6540 7.6540 9.9864 9.9864 10.5932 10.5932 10.9660 10.9660 12.5149 12.5149 12.8561 12.8561 20.0597 20.0597 22.0002 22.0002 k = 0.4015-0.6186-0.3781 ( 3823 PWs) bands (ev): -81.0226 -81.0226 -46.7167 -46.7167 -45.0126 -45.0126 -44.9512 -44.9512 -33.7123 -33.7123 -7.7598 -7.7598 -7.3069 -7.3069 4.1436 4.1436 5.2916 5.2916 5.7015 5.7015 6.0140 6.0140 7.5797 7.5797 7.6519 7.6519 9.9784 9.9784 10.5844 10.5844 10.9593 10.9593 12.5224 12.5224 12.8605 12.8605 20.1015 20.1015 22.0078 22.0078 k = 0.4091-0.6303-0.3852 ( 3814 PWs) bands (ev): -81.0225 -81.0225 -46.7171 -46.7171 -45.0135 -45.0135 -44.9512 -44.9512 -33.7118 -33.7118 -7.7331 -7.7331 -7.3100 -7.3100 4.0993 4.0993 5.2971 5.2971 5.7163 5.7163 6.0109 6.0109 7.5536 7.5536 7.6522 7.6522 9.9705 9.9705 10.5759 10.5759 10.9526 10.9526 12.5295 12.5295 12.8647 12.8647 20.1405 20.1405 22.0132 22.0132 k = 0.4167-0.6420-0.3923 ( 3811 PWs) bands (ev): -81.0224 -81.0224 -46.7175 -46.7175 -45.0143 -45.0143 -44.9512 -44.9512 -33.7113 -33.7113 -7.7076 -7.7076 -7.3135 -7.3135 4.0575 4.0575 5.3045 5.3045 5.7279 5.7279 6.0077 6.0077 7.5300 7.5300 7.6534 7.6534 9.9629 9.9629 10.5677 10.5677 10.9461 10.9461 12.5360 12.5360 12.8687 12.8687 20.1767 20.1767 22.0168 22.0168 k = 0.4242-0.6536-0.3994 ( 3813 PWs) bands (ev): -81.0223 -81.0223 -46.7178 -46.7178 -45.0150 -45.0150 -44.9512 -44.9512 -33.7109 -33.7109 -7.6834 -7.6834 -7.3173 -7.3173 4.0185 4.0185 5.3136 5.3136 5.7364 5.7364 6.0047 6.0047 7.5093 7.5093 7.6550 7.6550 9.9555 9.9555 10.5599 10.5599 10.9397 10.9397 12.5420 12.5420 12.8725 12.8725 20.2100 20.2100 22.0189 22.0189 k = 0.4318-0.6653-0.4066 ( 3817 PWs) bands (ev): -81.0222 -81.0222 -46.7182 -46.7182 -45.0157 -45.0157 -44.9512 -44.9512 -33.7105 -33.7105 -7.6606 -7.6606 -7.3215 -7.3215 3.9825 3.9825 5.3238 5.3238 5.7421 5.7421 6.0018 6.0018 7.4914 7.4914 7.6570 7.6570 9.9485 9.9485 10.5525 10.5525 10.9336 10.9336 12.5475 12.5475 12.8760 12.8760 20.2404 20.2404 22.0198 22.0198 k = 0.4394-0.6770-0.4137 ( 3816 PWs) bands (ev): -81.0221 -81.0221 -46.7185 -46.7185 -45.0163 -45.0163 -44.9512 -44.9512 -33.7102 -33.7102 -7.6393 -7.6393 -7.3259 -7.3259 3.9498 3.9498 5.3350 5.3350 5.7450 5.7450 5.9990 5.9990 7.4762 7.4762 7.6590 7.6590 9.9420 9.9420 10.5457 10.5457 10.9278 10.9278 12.5525 12.5525 12.8793 12.8793 20.2678 20.2678 22.0197 22.0197 k = 0.4470-0.6887-0.4208 ( 3811 PWs) bands (ev): -81.0220 -81.0220 -46.7187 -46.7187 -45.0168 -45.0168 -44.9512 -44.9512 -33.7099 -33.7099 -7.6197 -7.6197 -7.3304 -7.3304 3.9205 3.9205 5.3466 5.3466 5.7457 5.7457 5.9965 5.9965 7.4636 7.4636 7.6610 7.6610 9.9360 9.9360 10.5396 10.5396 10.9225 10.9225 12.5569 12.5569 12.8822 12.8822 20.2921 20.2921 22.0190 22.0190 k = 0.4545-0.7003-0.4280 ( 3815 PWs) bands (ev): -81.0219 -81.0219 -46.7189 -46.7189 -45.0173 -45.0173 -44.9512 -44.9512 -33.7096 -33.7096 -7.6019 -7.6019 -7.3351 -7.3351 3.8949 3.8949 5.3582 5.3582 5.7445 5.7445 5.9942 5.9942 7.4533 7.4533 7.6629 7.6629 9.9307 9.9307 10.5341 10.5341 10.9177 10.9177 12.5607 12.5607 12.8848 12.8848 20.3133 20.3133 22.0177 22.0177 k = 0.4621-0.7120-0.4351 ( 3820 PWs) bands (ev): -81.0219 -81.0219 -46.7191 -46.7191 -45.0176 -45.0176 -44.9512 -44.9512 -33.7094 -33.7094 -7.5862 -7.5862 -7.3396 -7.3396 3.8729 3.8729 5.3694 5.3694 5.7420 5.7420 5.9922 5.9922 7.4452 7.4452 7.6647 7.6647 9.9260 9.9260 10.5293 10.5293 10.9136 10.9136 12.5639 12.5639 12.8870 12.8870 20.3314 20.3314 22.0163 22.0163 k = 0.4697-0.7237-0.4422 ( 3818 PWs) bands (ev): -81.0218 -81.0218 -46.7193 -46.7193 -45.0180 -45.0180 -44.9512 -44.9512 -33.7092 -33.7092 -7.5727 -7.5727 -7.3439 -7.3439 3.8549 3.8549 5.3796 5.3796 5.7387 5.7387 5.9906 5.9906 7.4389 7.4389 7.6662 7.6662 9.9220 9.9220 10.5254 10.5254 10.9101 10.9101 12.5666 12.5666 12.8889 12.8889 20.3463 20.3463 22.0148 22.0148 k = 0.4773-0.7353-0.4494 ( 3816 PWs) bands (ev): -81.0218 -81.0218 -46.7194 -46.7194 -45.0182 -45.0182 -44.9512 -44.9512 -33.7090 -33.7090 -7.5617 -7.5617 -7.3476 -7.3476 3.8407 3.8407 5.3883 5.3883 5.7353 5.7353 5.9893 5.9893 7.4343 7.4343 7.6674 7.6674 9.9189 9.9189 10.5223 10.5223 10.9073 10.9073 12.5687 12.5687 12.8903 12.8903 20.3579 20.3579 22.0135 22.0135 k = 0.4848-0.7470-0.4565 ( 3818 PWs) bands (ev): -81.0218 -81.0218 -46.7195 -46.7195 -45.0184 -45.0184 -44.9512 -44.9512 -33.7089 -33.7089 -7.5536 -7.5536 -7.3506 -7.3506 3.8306 3.8306 5.3950 5.3950 5.7323 5.7323 5.9883 5.9883 7.4311 7.4311 7.6683 7.6683 9.9166 9.9166 10.5201 10.5201 10.9053 10.9053 12.5702 12.5702 12.8914 12.8914 20.3662 20.3662 22.0124 22.0124 k = 0.4924-0.7587-0.4636 ( 3810 PWs) bands (ev): -81.0218 -81.0218 -46.7196 -46.7196 -45.0185 -45.0185 -44.9512 -44.9512 -33.7089 -33.7089 -7.5486 -7.5486 -7.3525 -7.3525 3.8245 3.8245 5.3992 5.3992 5.7303 5.7303 5.9878 5.9878 7.4293 7.4293 7.6689 7.6689 9.9152 9.9152 10.5187 10.5187 10.9040 10.9040 12.5711 12.5711 12.8920 12.8920 20.3712 20.3712 22.0117 22.0117 k = 0.5000-0.7704-0.4708 ( 3816 PWs) bands (ev): -81.0218 -81.0218 -46.7196 -46.7196 -45.0185 -45.0185 -44.9512 -44.9512 -33.7089 -33.7089 -7.5469 -7.5469 -7.3532 -7.3532 3.8224 3.8224 5.4007 5.4007 5.7295 5.7295 5.9876 5.9876 7.4287 7.4287 7.6691 7.6691 9.9148 9.9148 10.5182 10.5182 10.9036 10.9036 12.5714 12.5714 12.8922 12.8922 20.3728 20.3728 22.0115 22.0115 k = 0.5000-0.7704-0.4708 ( 3816 PWs) bands (ev): -81.0218 -81.0218 -46.7196 -46.7196 -45.0185 -45.0185 -44.9512 -44.9512 -33.7089 -33.7089 -7.5469 -7.5469 -7.3532 -7.3532 3.8224 3.8224 5.4007 5.4007 5.7295 5.7295 5.9876 5.9876 7.4287 7.4287 7.6691 7.6691 9.9148 9.9148 10.5182 10.5182 10.9036 10.9036 12.5714 12.5714 12.8922 12.8922 20.3728 20.3728 22.0115 22.0115 k = 0.5000-0.7622-0.4841 ( 3812 PWs) bands (ev): -81.0217 -81.0217 -46.7196 -46.7196 -45.0185 -45.0185 -44.9512 -44.9512 -33.7088 -33.7088 -7.5466 -7.5466 -7.3531 -7.3531 3.8235 3.8235 5.3989 5.3989 5.7298 5.7298 5.9897 5.9897 7.4275 7.4275 7.6654 7.6654 9.9164 9.9164 10.5187 10.5187 10.9036 10.9036 12.5716 12.5716 12.8913 12.8913 20.3735 20.3735 22.0148 22.0148 k = 0.5000-0.7540-0.4975 ( 3814 PWs) bands (ev): -81.0217 -81.0217 -46.7196 -46.7196 -45.0185 -45.0185 -44.9513 -44.9513 -33.7088 -33.7088 -7.5457 -7.5457 -7.3530 -7.3530 3.8266 3.8266 5.3936 5.3936 5.7307 5.7307 5.9959 5.9959 7.4241 7.4241 7.6545 7.6545 9.9214 9.9214 10.5202 10.5202 10.9034 10.9034 12.5722 12.5722 12.8887 12.8887 20.3756 20.3756 22.0247 22.0247 k = 0.5000-0.7459-0.5109 ( 3816 PWs) bands (ev): -81.0217 -81.0217 -46.7196 -46.7196 -45.0185 -45.0185 -44.9514 -44.9514 -33.7088 -33.7088 -7.5441 -7.5441 -7.3529 -7.3529 3.8318 3.8318 5.3850 5.3850 5.7320 5.7320 6.0060 6.0060 7.4183 7.4183 7.6365 7.6365 9.9294 9.9294 10.5226 10.5226 10.9032 10.9032 12.5732 12.5732 12.8844 12.8844 20.3789 20.3789 22.0412 22.0412 k = 0.5000-0.7377-0.5242 ( 3818 PWs) bands (ev): -81.0217 -81.0217 -46.7197 -46.7197 -45.0185 -45.0185 -44.9515 -44.9515 -33.7087 -33.7087 -7.5420 -7.5420 -7.3527 -7.3527 3.8391 3.8391 5.3734 5.3734 5.7339 5.7339 6.0197 6.0197 7.4103 7.4103 7.6117 7.6117 9.9402 9.9402 10.5260 10.5260 10.9028 10.9028 12.5746 12.5746 12.8785 12.8785 20.3836 20.3836 22.0639 22.0639 k = 0.5000-0.7295-0.5376 ( 3818 PWs) bands (ev): -81.0217 -81.0217 -46.7197 -46.7197 -45.0185 -45.0185 -44.9516 -44.9516 -33.7087 -33.7087 -7.5393 -7.5393 -7.3524 -7.3524 3.8484 3.8484 5.3593 5.3593 5.7362 5.7362 6.0365 6.0365 7.4000 7.4000 7.5807 7.5807 9.9536 9.9536 10.5302 10.5302 10.9024 10.9024 12.5764 12.5764 12.8710 12.8710 20.3895 20.3895 22.0928 22.0928 k = 0.5000-0.7214-0.5510 ( 3818 PWs) bands (ev): -81.0217 -81.0217 -46.7198 -46.7198 -45.0185 -45.0185 -44.9517 -44.9517 -33.7086 -33.7086 -7.5361 -7.5361 -7.3520 -7.3520 3.8598 3.8598 5.3431 5.3431 5.7389 5.7389 6.0561 6.0561 7.3873 7.3873 7.5440 7.5440 9.9692 9.9692 10.5354 10.5354 10.9019 10.9019 12.5785 12.5785 12.8621 12.8621 20.3967 20.3967 22.1275 22.1275 k = 0.5000-0.7132-0.5643 ( 3822 PWs) bands (ev): -81.0217 -81.0217 -46.7198 -46.7198 -45.0185 -45.0185 -44.9519 -44.9519 -33.7085 -33.7085 -7.5323 -7.5323 -7.3516 -7.3516 3.8732 3.8732 5.3252 5.3252 5.7419 5.7419 6.0780 6.0780 7.3724 7.3724 7.5021 7.5021 9.9865 9.9865 10.5414 10.5414 10.9014 10.9014 12.5809 12.5809 12.8518 12.8518 20.4050 20.4050 22.1675 22.1675 k = 0.5000-0.7050-0.5777 ( 3818 PWs) bands (ev): -81.0216 -81.0216 -46.7199 -46.7199 -45.0185 -45.0185 -44.9521 -44.9521 -33.7084 -33.7084 -7.5279 -7.5279 -7.3512 -7.3512 3.8886 3.8886 5.3060 5.3060 5.7450 5.7450 6.1019 6.1019 7.3550 7.3550 7.4559 7.4559 10.0051 10.0051 10.5482 10.5482 10.9009 10.9009 12.5835 12.5835 12.8404 12.8404 20.4144 20.4144 22.2122 22.2122 k = 0.5000-0.6969-0.5910 ( 3812 PWs) bands (ev): -81.0216 -81.0216 -46.7200 -46.7200 -45.0185 -45.0185 -44.9523 -44.9523 -33.7083 -33.7083 -7.5230 -7.5230 -7.3507 -7.3507 3.9060 3.9060 5.2858 5.2858 5.7481 5.7481 6.1275 6.1275 7.3349 7.3349 7.4063 7.4063 10.0246 10.0246 10.5558 10.5558 10.9003 10.9003 12.5864 12.5864 12.8279 12.8279 20.4249 20.4249 22.2608 22.2608 k = 0.5000-0.6887-0.6044 ( 3816 PWs) bands (ev): -81.0216 -81.0216 -46.7201 -46.7201 -45.0185 -45.0185 -44.9526 -44.9526 -33.7082 -33.7082 -7.5176 -7.5176 -7.3501 -7.3501 3.9253 3.9253 5.2648 5.2648 5.7510 5.7510 6.1545 6.1545 7.3107 7.3107 7.3554 7.3554 10.0447 10.0447 10.5641 10.5641 10.8998 10.8998 12.5893 12.5893 12.8147 12.8147 20.4363 20.4363 22.3118 22.3118 k = 0.5000-0.6805-0.6178 ( 3812 PWs) bands (ev): -81.0215 -81.0215 -46.7202 -46.7202 -45.0185 -45.0185 -44.9529 -44.9529 -33.7081 -33.7081 -7.5118 -7.5118 -7.3495 -7.3495 3.9466 3.9466 5.2434 5.2434 5.7535 5.7535 6.1826 6.1826 7.2767 7.2767 7.3098 7.3098 10.0649 10.0649 10.5730 10.5730 10.8993 10.8993 12.5924 12.5924 12.8007 12.8007 20.4487 20.4487 22.3631 22.3631 k = 0.5000-0.6724-0.6311 ( 3810 PWs) bands (ev): -81.0215 -81.0215 -46.7203 -46.7203 -45.0185 -45.0185 -44.9531 -44.9531 -33.7079 -33.7079 -7.5055 -7.5055 -7.3489 -7.3489 3.9698 3.9698 5.2217 5.2217 5.7554 5.7554 6.2118 6.2118 7.2268 7.2268 7.2763 7.2763 10.0849 10.0849 10.5826 10.5826 10.8989 10.8989 12.5955 12.5955 12.7862 12.7862 20.4619 20.4619 22.4109 22.4109 k = 0.5000-0.6642-0.6445 ( 3808 PWs) bands (ev): -81.0215 -81.0215 -46.7204 -46.7204 -45.0185 -45.0185 -44.9534 -44.9534 -33.7078 -33.7078 -7.4988 -7.4988 -7.3482 -7.3482 3.9948 3.9948 5.1999 5.1999 5.7563 5.7563 6.2418 6.2418 7.1697 7.1697 7.2469 7.2469 10.1044 10.1044 10.5926 10.5926 10.8986 10.8986 12.5986 12.5986 12.7714 12.7714 20.4758 20.4758 22.4488 22.4488 k = 0.5000-0.6560-0.6579 ( 3806 PWs) bands (ev): -81.0214 -81.0214 -46.7205 -46.7205 -45.0185 -45.0185 -44.9537 -44.9537 -33.7076 -33.7076 -7.4917 -7.4917 -7.3475 -7.3475 4.0217 4.0217 5.1782 5.1782 5.7560 5.7560 6.2724 6.2724 7.1108 7.1108 7.2172 7.2172 10.1231 10.1231 10.6032 10.6032 10.8985 10.8985 12.6016 12.6016 12.7565 12.7565 20.4905 20.4905 22.4679 22.4679 k = 0.5000-0.6479-0.6712 ( 3808 PWs) bands (ev): -81.0214 -81.0214 -46.7206 -46.7206 -45.0185 -45.0185 -44.9540 -44.9540 -33.7074 -33.7074 -7.4843 -7.4843 -7.3467 -7.3467 4.0503 4.0503 5.1566 5.1566 5.7539 5.7539 6.3036 6.3036 7.0519 7.0519 7.1864 7.1864 10.1409 10.1409 10.6141 10.6141 10.8984 10.8984 12.6044 12.6044 12.7416 12.7416 20.5058 20.5058 22.4610 22.4610 k = 0.5000-0.6397-0.6846 ( 3812 PWs) bands (ev): -81.0213 -81.0213 -46.7208 -46.7208 -45.0185 -45.0185 -44.9544 -44.9544 -33.7073 -33.7073 -7.4766 -7.4766 -7.3460 -7.3460 4.0807 4.0807 5.1354 5.1354 5.7496 5.7496 6.3353 6.3353 6.9941 6.9941 7.1541 7.1541 10.1575 10.1575 10.6253 10.6253 10.8986 10.8986 12.6071 12.6071 12.7269 12.7269 20.5218 20.5218 22.4292 22.4292 k = 0.5000-0.6315-0.6980 ( 3810 PWs) bands (ev): -81.0213 -81.0213 -46.7209 -46.7209 -45.0186 -45.0186 -44.9547 -44.9547 -33.7071 -33.7071 -7.4687 -7.4687 -7.3452 -7.3452 4.1128 4.1128 5.1145 5.1145 5.7426 5.7426 6.3673 6.3673 6.9384 6.9384 7.1206 7.1206 10.1727 10.1727 10.6367 10.6367 10.8989 10.8989 12.6094 12.6094 12.7126 12.7126 20.5383 20.5383 22.3794 22.3794 k = 0.5000-0.6234-0.7113 ( 3810 PWs) bands (ev): -81.0212 -81.0212 -46.7210 -46.7210 -45.0186 -45.0186 -44.9550 -44.9550 -33.7069 -33.7069 -7.4605 -7.4605 -7.3444 -7.3444 4.1465 4.1465 5.0941 5.0941 5.7323 5.7323 6.3994 6.3994 6.8856 6.8856 7.0858 7.0858 10.1865 10.1865 10.6484 10.6484 10.8993 10.8993 12.6114 12.6114 12.6988 12.6988 20.5554 20.5554 22.3184 22.3184 k = 0.5000-0.6152-0.7247 ( 3808 PWs) bands (ev): -81.0212 -81.0212 -46.7212 -46.7212 -45.0186 -45.0186 -44.9553 -44.9553 -33.7067 -33.7067 -7.4522 -7.4522 -7.3436 -7.3436 4.1817 4.1817 5.0743 5.0743 5.7182 5.7182 6.4317 6.4317 6.8367 6.8367 7.0499 7.0499 10.1988 10.1988 10.6601 10.6601 10.8999 10.8999 12.6129 12.6129 12.6857 12.6857 20.5730 20.5730 22.2505 22.2505 k = 0.5000-0.6070-0.7380 ( 3816 PWs) bands (ev): -81.0212 -81.0212 -46.7213 -46.7213 -45.0186 -45.0186 -44.9557 -44.9557 -33.7065 -33.7065 -7.4437 -7.4437 -7.3428 -7.3428 4.2185 4.2185 5.0550 5.0550 5.6998 5.6998 6.4638 6.4638 6.7923 6.7923 7.0133 7.0133 10.2095 10.2095 10.6717 10.6717 10.9007 10.9007 12.6139 12.6139 12.6734 12.6734 20.5912 20.5912 22.1782 22.1782 k = 0.5000-0.5989-0.7514 ( 3806 PWs) bands (ev): -81.0211 -81.0211 -46.7215 -46.7215 -45.0187 -45.0187 -44.9560 -44.9560 -33.7063 -33.7063 -7.4352 -7.4352 -7.3420 -7.3420 4.2567 4.2567 5.0364 5.0364 5.6766 5.6766 6.4956 6.4956 6.7534 6.7534 6.9761 6.9761 10.2187 10.2187 10.6834 10.6834 10.9015 10.9015 12.6142 12.6142 12.6623 12.6623 20.6099 20.6099 22.1032 22.1032 k = 0.5000-0.5907-0.7648 ( 3808 PWs) bands (ev): -81.0211 -81.0211 -46.7216 -46.7216 -45.0187 -45.0187 -44.9563 -44.9563 -33.7062 -33.7062 -7.4267 -7.4267 -7.3412 -7.3412 4.2962 4.2962 5.0185 5.0185 5.6485 5.6485 6.5266 6.5266 6.7202 6.7202 6.9390 6.9390 10.2262 10.2262 10.6949 10.6949 10.9024 10.9024 12.6135 12.6135 12.6525 12.6525 20.6291 20.6291 22.0265 22.0265 k = 0.5000-0.5825-0.7781 ( 3808 PWs) bands (ev): -81.0210 -81.0210 -46.7217 -46.7217 -45.0188 -45.0188 -44.9566 -44.9566 -33.7060 -33.7060 -7.4182 -7.4182 -7.3404 -7.3404 4.3370 4.3370 5.0013 5.0013 5.6153 5.6153 6.5561 6.5561 6.6930 6.6930 6.9027 6.9027 10.2322 10.2322 10.7061 10.7061 10.9034 10.9034 12.6118 12.6118 12.6443 12.6443 20.6489 20.6489 21.9488 21.9488 k = 0.5000-0.5744-0.7915 ( 3810 PWs) bands (ev): -81.0210 -81.0210 -46.7219 -46.7219 -45.0188 -45.0188 -44.9569 -44.9569 -33.7058 -33.7058 -7.4098 -7.4098 -7.3397 -7.3397 4.3790 4.3790 4.9848 4.9848 5.5774 5.5774 6.5828 6.5828 6.6720 6.6720 6.8686 6.8686 10.2368 10.2368 10.7171 10.7171 10.9043 10.9043 12.6087 12.6087 12.6378 12.6378 20.6693 20.6693 21.8706 21.8706 k = 0.5000-0.5662-0.8049 ( 3812 PWs) bands (ev): -81.0209 -81.0209 -46.7220 -46.7220 -45.0189 -45.0189 -44.9572 -44.9572 -33.7056 -33.7056 -7.4016 -7.4016 -7.3390 -7.3390 4.4220 4.4220 4.9691 4.9691 5.5351 5.5351 6.6040 6.6040 6.6571 6.6571 6.8393 6.8393 10.2399 10.2399 10.7277 10.7277 10.9051 10.9051 12.6044 12.6044 12.6331 12.6331 20.6902 20.6902 21.7925 21.7925 k = 0.5000-0.5580-0.8182 ( 3816 PWs) bands (ev): -81.0209 -81.0209 -46.7222 -46.7222 -45.0190 -45.0190 -44.9574 -44.9574 -33.7055 -33.7055 -7.3936 -7.3936 -7.3383 -7.3383 4.4659 4.4659 4.9542 4.9542 5.4890 5.4890 6.6153 6.6153 6.6480 6.6480 6.8194 6.8194 10.2418 10.2418 10.7379 10.7379 10.9058 10.9058 12.5995 12.5995 12.6294 12.6294 20.7119 20.7119 21.7146 21.7146 k = 0.5000-0.5499-0.8316 ( 3812 PWs) bands (ev): -81.0208 -81.0208 -46.7223 -46.7223 -45.0190 -45.0190 -44.9577 -44.9577 -33.7053 -33.7053 -7.3859 -7.3859 -7.3376 -7.3376 4.5106 4.5106 4.9401 4.9401 5.4400 5.4400 6.6124 6.6124 6.6433 6.6433 6.8139 6.8139 10.2425 10.2425 10.7475 10.7475 10.9062 10.9062 12.5945 12.5945 12.6264 12.6264 20.7341 20.7341 21.6374 21.6374 k = 0.5000-0.5417-0.8449 ( 3810 PWs) bands (ev): -81.0208 -81.0208 -46.7224 -46.7224 -45.0191 -45.0191 -44.9579 -44.9579 -33.7052 -33.7052 -7.3786 -7.3786 -7.3370 -7.3370 4.5558 4.5558 4.9267 4.9267 5.3888 5.3888 6.5954 6.5954 6.6418 6.6418 6.8239 6.8239 10.2421 10.2421 10.7567 10.7567 10.9064 10.9064 12.5898 12.5898 12.6236 12.6236 20.7572 20.7572 21.5611 21.5611 k = 0.5000-0.5335-0.8583 ( 3808 PWs) bands (ev): -81.0208 -81.0208 -46.7225 -46.7225 -45.0192 -45.0192 -44.9581 -44.9581 -33.7050 -33.7050 -7.3717 -7.3717 -7.3364 -7.3364 4.6012 4.6012 4.9140 4.9140 5.3363 5.3363 6.5674 6.5674 6.6441 6.6441 6.8449 6.8449 10.2408 10.2408 10.7651 10.7651 10.9063 10.9063 12.5855 12.5855 12.6208 12.6208 20.7810 20.7810 21.4859 21.4859 k = 0.5000-0.5254-0.8717 ( 3812 PWs) bands (ev): -81.0207 -81.0207 -46.7226 -46.7226 -45.0192 -45.0192 -44.9583 -44.9583 -33.7049 -33.7049 -7.3652 -7.3652 -7.3359 -7.3359 4.6465 4.6465 4.9021 4.9021 5.2836 5.2836 6.5333 6.5333 6.6498 6.6498 6.8723 6.8723 10.2387 10.2387 10.7729 10.7729 10.9058 10.9058 12.5818 12.5818 12.6178 12.6178 20.8056 20.8056 21.4119 21.4119 k = 0.5000-0.5172-0.8850 ( 3818 PWs) bands (ev): -81.0207 -81.0207 -46.7227 -46.7227 -45.0193 -45.0193 -44.9584 -44.9584 -33.7048 -33.7048 -7.3594 -7.3594 -7.3354 -7.3354 4.6909 4.6909 4.8910 4.8910 5.2318 5.2318 6.4960 6.4960 6.6582 6.6582 6.9033 6.9033 10.2360 10.2360 10.7799 10.7799 10.9050 10.9050 12.5786 12.5786 12.6147 12.6147 20.8312 20.8312 21.3395 21.3395 k = 0.5000-0.5090-0.8984 ( 3812 PWs) bands (ev): -81.0207 -81.0207 -46.7228 -46.7228 -45.0194 -45.0194 -44.9586 -44.9586 -33.7047 -33.7047 -7.3542 -7.3542 -7.3349 -7.3349 4.7335 4.7335 4.8805 4.8805 5.1824 5.1824 6.4573 6.4573 6.6689 6.6689 6.9365 6.9365 10.2328 10.2328 10.7860 10.7860 10.9038 10.9038 12.5760 12.5760 12.6113 12.6113 20.8577 20.8577 21.2686 21.2686 k = 0.5000-0.5009-0.9118 ( 3808 PWs) bands (ev): -81.0206 -81.0206 -46.7229 -46.7229 -45.0194 -45.0194 -44.9587 -44.9587 -33.7046 -33.7046 -7.3497 -7.3497 -7.3344 -7.3344 4.7721 4.7721 4.8707 4.8707 5.1379 5.1379 6.4182 6.4182 6.6812 6.6812 6.9710 6.9710 10.2292 10.2292 10.7912 10.7912 10.9023 10.9023 12.5738 12.5738 12.6078 12.6078 20.8852 20.8852 21.1994 21.1994 k = 0.5000-0.4927-0.9251 ( 3812 PWs) bands (ev): -81.0206 -81.0206 -46.7229 -46.7229 -45.0195 -45.0195 -44.9588 -44.9588 -33.7045 -33.7045 -7.3462 -7.3462 -7.3338 -7.3338 4.8028 4.8028 4.8616 4.8616 5.1022 5.1022 6.3793 6.3793 6.6947 6.6947 7.0065 7.0065 10.2254 10.2254 10.7954 10.7954 10.9004 10.9004 12.5720 12.5720 12.6041 12.6041 20.9138 20.9138 21.1322 21.1322 k = 0.5000-0.4845-0.9385 ( 3816 PWs) bands (ev): -81.0206 -81.0206 -46.7230 -46.7230 -45.0195 -45.0195 -44.9589 -44.9589 -33.7044 -33.7044 -7.3436 -7.3436 -7.3331 -7.3331 4.8194 4.8194 4.8536 4.8536 5.0819 5.0819 6.3412 6.3412 6.7093 6.7093 7.0427 7.0427 10.2215 10.2215 10.7984 10.7984 10.8984 10.8984 12.5705 12.5705 12.6003 12.6003 20.9435 20.9435 21.0669 21.0669 k = 0.5000-0.4764-0.9519 ( 3820 PWs) bands (ev): -81.0206 -81.0206 -46.7230 -46.7230 -45.0196 -45.0196 -44.9589 -44.9589 -33.7044 -33.7044 -7.3419 -7.3419 -7.3324 -7.3324 4.8169 4.8169 4.8455 4.8455 5.0828 5.0828 6.3041 6.3041 6.7244 6.7244 7.0794 7.0794 10.2177 10.2177 10.8001 10.8001 10.8962 10.8962 12.5691 12.5691 12.5964 12.5964 20.9741 20.9741 21.0040 21.0040 k = 0.5000-0.4682-0.9652 ( 3820 PWs) bands (ev): -81.0206 -81.0206 -46.7230 -46.7230 -45.0196 -45.0196 -44.9589 -44.9589 -33.7044 -33.7044 -7.3411 -7.3411 -7.3319 -7.3319 4.7976 4.7976 4.8367 4.8367 5.1037 5.1037 6.2684 6.2684 6.7398 6.7398 7.1166 7.1166 10.2141 10.2141 10.8004 10.8004 10.8939 10.8939 12.5677 12.5677 12.5925 12.5925 20.9421 20.9421 21.0070 21.0070 k = 0.5000-0.4600-0.9786 ( 3820 PWs) bands (ev): -81.0206 -81.0206 -46.7230 -46.7230 -45.0196 -45.0196 -44.9589 -44.9589 -33.7044 -33.7044 -7.3410 -7.3410 -7.3318 -7.3318 4.7675 4.7675 4.8281 4.8281 5.1375 5.1375 6.2344 6.2344 6.7553 6.7553 7.1541 7.1541 10.2109 10.2109 10.7992 10.7992 10.8917 10.8917 12.5662 12.5662 12.5888 12.5888 20.8832 20.8832 21.0404 21.0404 k = 0.5000-0.4519-0.9919 ( 3820 PWs) bands (ev): -81.0206 -81.0206 -46.7230 -46.7230 -45.0196 -45.0196 -44.9589 -44.9589 -33.7044 -33.7044 -7.3414 -7.3414 -7.3322 -7.3322 4.7324 4.7324 4.8199 4.8199 5.1784 5.1784 6.2024 6.2024 6.7706 6.7706 7.1919 7.1919 10.2081 10.2081 10.7965 10.7965 10.8896 10.8896 12.5644 12.5644 12.5853 12.5853 20.8265 20.8265 21.0753 21.0753 k = 0.5000-0.4437-1.0053 ( 3820 PWs) bands (ev): -81.0206 -81.0206 -46.7230 -46.7230 -45.0195 -45.0195 -44.9589 -44.9589 -33.7044 -33.7044 -7.3424 -7.3424 -7.3333 -7.3333 4.6958 4.6958 4.8119 4.8119 5.2230 5.2230 6.1725 6.1725 6.7854 6.7854 7.2299 7.2299 10.2059 10.2059 10.7923 10.7923 10.8877 10.8877 12.5621 12.5621 12.5820 12.5820 20.7721 20.7721 21.1116 21.1116 k = 0.5000-0.4355-1.0187 ( 3822 PWs) bands (ev): -81.0206 -81.0206 -46.7229 -46.7229 -45.0194 -45.0194 -44.9588 -44.9588 -33.7045 -33.7045 -7.3442 -7.3442 -7.3348 -7.3348 4.6597 4.6597 4.8040 4.8040 5.2694 5.2694 6.1451 6.1451 6.7996 6.7996 7.2682 7.2682 10.2043 10.2043 10.7867 10.7867 10.8859 10.8859 12.5594 12.5594 12.5791 12.5791 20.7200 20.7200 21.1494 21.1494 k = 0.5000-0.4274-1.0320 ( 3822 PWs) bands (ev): -81.0207 -81.0207 -46.7228 -46.7228 -45.0194 -45.0194 -44.9587 -44.9587 -33.7046 -33.7046 -7.3470 -7.3470 -7.3366 -7.3366 4.6251 4.6251 4.7959 4.7959 5.3169 5.3169 6.1203 6.1203 6.8131 6.8131 7.3066 7.3066 10.2036 10.2036 10.7797 10.7797 10.8842 10.8842 12.5561 12.5561 12.5763 12.5763 20.6702 20.6702 21.1887 21.1887 k = 0.8133-0.3346-0.8511 ( 3822 PWs) bands (ev): -81.0207 -81.0207 -46.7228 -46.7228 -45.0194 -45.0194 -44.9587 -44.9587 -33.7046 -33.7046 -7.3470 -7.3470 -7.3366 -7.3366 4.6251 4.6251 4.7959 4.7959 5.3169 5.3169 6.1203 6.1203 6.8131 6.8131 7.3066 7.3066 10.2036 10.2036 10.7797 10.7797 10.8842 10.8842 12.5561 12.5561 12.5763 12.5763 20.6702 20.6702 21.1887 21.1887 k = 0.8088-0.3277-0.8376 ( 3824 PWs) bands (ev): -81.0207 -81.0207 -46.7227 -46.7227 -45.0192 -45.0192 -44.9586 -44.9586 -33.7047 -33.7047 -7.3511 -7.3511 -7.3385 -7.3385 4.5925 4.5925 4.7876 4.7876 5.3649 5.3649 6.0982 6.0982 6.8255 6.8255 7.3454 7.3454 10.2037 10.2037 10.7715 10.7715 10.8824 10.8824 12.5525 12.5525 12.5736 12.5736 20.6225 20.6225 21.2298 21.2298 k = 0.8043-0.3208-0.8242 ( 3818 PWs) bands (ev): -81.0207 -81.0207 -46.7226 -46.7226 -45.0191 -45.0191 -44.9585 -44.9585 -33.7049 -33.7049 -7.3566 -7.3566 -7.3402 -7.3402 4.5626 4.5626 4.7789 4.7789 5.4128 5.4128 6.0792 6.0792 6.8369 6.8369 7.3844 7.3844 10.2047 10.2047 10.7623 10.7623 10.8805 10.8805 12.5485 12.5485 12.5709 12.5709 20.5771 20.5771 21.2725 21.2725 k = 0.7998-0.3139-0.8107 ( 3818 PWs) bands (ev): -81.0208 -81.0208 -46.7225 -46.7225 -45.0189 -45.0189 -44.9584 -44.9584 -33.7050 -33.7050 -7.3637 -7.3637 -7.3420 -7.3420 4.5357 4.5357 4.7699 4.7699 5.4602 5.4602 6.0634 6.0634 6.8469 6.8469 7.4233 7.4233 10.2067 10.2067 10.7523 10.7523 10.8785 10.8785 12.5444 12.5444 12.5679 12.5679 20.5342 20.5342 21.3168 21.3168 k = 0.7954-0.3070-0.7973 ( 3812 PWs) bands (ev): -81.0208 -81.0208 -46.7223 -46.7223 -45.0187 -45.0187 -44.9582 -44.9582 -33.7052 -33.7052 -7.3721 -7.3721 -7.3437 -7.3437 4.5120 4.5120 4.7605 4.7605 5.5070 5.5070 6.0510 6.0510 6.8554 6.8554 7.4624 7.4624 10.2097 10.2097 10.7418 10.7418 10.8762 10.8762 12.5402 12.5402 12.5647 12.5647 20.4936 20.4936 21.3626 21.3626 k = 0.7909-0.3001-0.7838 ( 3812 PWs) bands (ev): -81.0209 -81.0209 -46.7221 -46.7221 -45.0184 -45.0184 -44.9581 -44.9581 -33.7055 -33.7055 -7.3820 -7.3820 -7.3456 -7.3456 4.4917 4.4917 4.7507 4.7507 5.5529 5.5529 6.0420 6.0420 6.8624 6.8624 7.5014 7.5014 10.2136 10.2136 10.7309 10.7309 10.8736 10.8736 12.5359 12.5359 12.5610 12.5610 20.4554 20.4554 21.4100 21.4100 k = 0.7864-0.2932-0.7704 ( 3814 PWs) bands (ev): -81.0209 -81.0209 -46.7219 -46.7219 -45.0181 -45.0181 -44.9579 -44.9579 -33.7057 -33.7057 -7.3933 -7.3933 -7.3475 -7.3475 4.4749 4.4749 4.7404 4.7404 5.5977 5.5977 6.0366 6.0366 6.8678 6.8678 7.5403 7.5403 10.2186 10.2186 10.7200 10.7200 10.8706 10.8706 12.5316 12.5316 12.5570 12.5570 20.4194 20.4194 21.4588 21.4588 k = 0.7819-0.2864-0.7569 ( 3818 PWs) bands (ev): -81.0210 -81.0210 -46.7217 -46.7217 -45.0178 -45.0178 -44.9577 -44.9577 -33.7060 -33.7060 -7.4059 -7.4059 -7.3496 -7.3496 4.4617 4.4617 4.7297 4.7297 5.6412 5.6412 6.0348 6.0348 6.8714 6.8714 7.5792 7.5792 10.2243 10.2243 10.7091 10.7091 10.8672 10.8672 12.5272 12.5272 12.5526 12.5526 20.3858 20.3858 21.5091 21.5091 k = 0.7775-0.2795-0.7435 ( 3818 PWs) bands (ev): -81.0211 -81.0211 -46.7214 -46.7214 -45.0174 -45.0174 -44.9575 -44.9575 -33.7063 -33.7063 -7.4199 -7.4199 -7.3519 -7.3519 4.4522 4.4522 4.7187 4.7187 5.6834 5.6834 6.0365 6.0365 6.8732 6.8732 7.6179 7.6179 10.2308 10.2308 10.6987 10.6987 10.8634 10.8634 12.5226 12.5226 12.5479 12.5479 20.3543 20.3543 21.5606 21.5606 k = 0.7730-0.2726-0.7300 ( 3820 PWs) bands (ev): -81.0212 -81.0212 -46.7211 -46.7211 -45.0170 -45.0170 -44.9573 -44.9573 -33.7067 -33.7067 -7.4353 -7.4353 -7.3543 -7.3543 4.4465 4.4465 4.7073 4.7073 5.7239 5.7239 6.0419 6.0419 6.8731 6.8731 7.6564 7.6564 10.2380 10.2380 10.6890 10.6890 10.8592 10.8592 12.5177 12.5177 12.5430 12.5430 20.3250 20.3250 21.6132 21.6132 k = 0.7685-0.2657-0.7166 ( 3820 PWs) bands (ev): -81.0213 -81.0213 -46.7208 -46.7208 -45.0165 -45.0165 -44.9571 -44.9571 -33.7071 -33.7071 -7.4521 -7.4521 -7.3568 -7.3568 4.4446 4.4446 4.6958 4.6958 5.7628 5.7628 6.0507 6.0507 6.8712 6.8712 7.6947 7.6947 10.2454 10.2454 10.6802 10.6802 10.8546 10.8546 12.5123 12.5123 12.5382 12.5382 20.2979 20.2979 21.6666 21.6666 k = 0.7640-0.2588-0.7031 ( 3826 PWs) bands (ev): -81.0214 -81.0214 -46.7205 -46.7205 -45.0160 -45.0160 -44.9569 -44.9569 -33.7075 -33.7075 -7.4702 -7.4702 -7.3595 -7.3595 4.4464 4.4464 4.6843 4.6843 5.7998 5.7998 6.0630 6.0630 6.8675 6.8675 7.7326 7.7326 10.2530 10.2530 10.6728 10.6728 10.8495 10.8495 12.5062 12.5062 12.5338 12.5338 20.2727 20.2727 21.7204 21.7204 k = 0.7596-0.2519-0.6897 ( 3824 PWs) bands (ev): -81.0215 -81.0215 -46.7201 -46.7201 -45.0154 -45.0154 -44.9567 -44.9567 -33.7079 -33.7079 -7.4897 -7.4897 -7.3624 -7.3624 4.4521 4.4521 4.6728 4.6728 5.8349 5.8349 6.0787 6.0787 6.8619 6.8619 7.7702 7.7702 10.2605 10.2605 10.6670 10.6670 10.8441 10.8441 12.4991 12.4991 12.5300 12.5300 20.2495 20.2495 21.7741 21.7741 k = 0.7551-0.2450-0.6762 ( 3824 PWs) bands (ev): -81.0216 -81.0216 -46.7197 -46.7197 -45.0148 -45.0148 -44.9564 -44.9564 -33.7084 -33.7084 -7.5104 -7.5104 -7.3654 -7.3654 4.4616 4.4616 4.6615 4.6615 5.8679 5.8679 6.0976 6.0976 6.8545 6.8545 7.8073 7.8073 10.2674 10.2674 10.6632 10.6632 10.8384 10.8384 12.4910 12.4910 12.5270 12.5270 20.2283 20.2283 21.8270 21.8270 k = 0.7506-0.2381-0.6628 ( 3820 PWs) bands (ev): -81.0217 -81.0217 -46.7193 -46.7193 -45.0141 -45.0141 -44.9562 -44.9562 -33.7088 -33.7088 -7.5324 -7.5324 -7.3686 -7.3686 4.4750 4.4750 4.6505 4.6505 5.8988 5.8988 6.1196 6.1196 6.8455 6.8455 7.8438 7.8438 10.2736 10.2736 10.6616 10.6616 10.8324 10.8324 12.4820 12.4820 12.5246 12.5246 20.2088 20.2088 21.8780 21.8780 k = 0.7461-0.2312-0.6493 ( 3818 PWs) bands (ev): -81.0219 -81.0219 -46.7189 -46.7189 -45.0134 -45.0134 -44.9560 -44.9560 -33.7094 -33.7094 -7.5557 -7.5557 -7.3719 -7.3719 4.4920 4.4920 4.6400 4.6400 5.9273 5.9273 6.1446 6.1446 6.8348 6.8348 7.8797 7.8797 10.2788 10.2788 10.6624 10.6624 10.8262 10.8262 12.4720 12.4720 12.5231 12.5231 20.1910 20.1910 21.9258 21.9258 k = 0.7417-0.2243-0.6359 ( 3818 PWs) bands (ev): -81.0220 -81.0220 -46.7184 -46.7184 -45.0126 -45.0126 -44.9557 -44.9557 -33.7099 -33.7099 -7.5802 -7.5802 -7.3754 -7.3754 4.5128 4.5128 4.6300 4.6300 5.9535 5.9535 6.1725 6.1725 6.8226 6.8226 7.9150 7.9150 10.2826 10.2826 10.6657 10.6657 10.8199 10.8199 12.4613 12.4613 12.5222 12.5222 20.1748 20.1748 21.9685 21.9685 k = 0.7372-0.2174-0.6224 ( 3816 PWs) bands (ev): -81.0222 -81.0222 -46.7180 -46.7180 -45.0118 -45.0118 -44.9555 -44.9555 -33.7105 -33.7105 -7.6058 -7.6058 -7.3791 -7.3791 4.5373 4.5373 4.6209 4.6209 5.9771 5.9771 6.2032 6.2032 6.8090 6.8090 7.9493 7.9493 10.2851 10.2851 10.6714 10.6714 10.8138 10.8138 12.4499 12.4499 12.5221 12.5221 20.1601 20.1601 22.0036 22.0036 k = 0.7327-0.2105-0.6090 ( 3824 PWs) bands (ev): -81.0223 -81.0223 -46.7174 -46.7174 -45.0110 -45.0110 -44.9553 -44.9553 -33.7111 -33.7111 -7.6325 -7.6325 -7.3829 -7.3829 4.5653 4.5653 4.6126 4.6126 5.9983 5.9983 6.2364 6.2364 6.7941 6.7941 7.9828 7.9828 10.2862 10.2862 10.6790 10.6790 10.8083 10.8083 12.4380 12.4380 12.5226 12.5226 20.1469 20.1469 22.0281 22.0281 k = 0.7282-0.2036-0.5955 ( 3826 PWs) bands (ev): -81.0225 -81.0225 -46.7169 -46.7169 -45.0100 -45.0100 -44.9550 -44.9550 -33.7117 -33.7117 -7.6603 -7.6603 -7.3869 -7.3869 4.5965 4.5965 4.6055 4.6055 6.0167 6.0167 6.2722 6.2722 6.7783 6.7783 8.0152 8.0152 10.2859 10.2859 10.6879 10.6879 10.8038 10.8038 12.4256 12.4256 12.5239 12.5239 20.1350 20.1350 22.0393 22.0393 k = 0.7238-0.1967-0.5821 ( 3828 PWs) bands (ev): -81.0226 -81.0226 -46.7164 -46.7164 -45.0091 -45.0091 -44.9548 -44.9548 -33.7124 -33.7124 -7.6891 -7.6891 -7.3910 -7.3910 4.5988 4.5988 4.6318 4.6318 6.0325 6.0325 6.3103 6.3103 6.7615 6.7615 8.0465 8.0465 10.2845 10.2845 10.6969 10.6969 10.8013 10.8013 12.4129 12.4129 12.5260 12.5260 20.1243 20.1243 22.0346 22.0346 k = 0.7193-0.1898-0.5686 ( 3826 PWs) bands (ev): -81.0228 -81.0228 -46.7158 -46.7158 -45.0081 -45.0081 -44.9546 -44.9546 -33.7131 -33.7131 -7.7189 -7.7189 -7.3953 -7.3953 4.5937 4.5937 4.6698 4.6698 6.0455 6.0455 6.3507 6.3507 6.7442 6.7442 8.0765 8.0765 10.2821 10.2821 10.7045 10.7045 10.8021 10.8021 12.4000 12.4000 12.5288 12.5288 20.1146 20.1146 22.0134 22.0134 k = 0.7148-0.1829-0.5552 ( 3824 PWs) bands (ev): -81.0230 -81.0230 -46.7152 -46.7152 -45.0070 -45.0070 -44.9544 -44.9544 -33.7138 -33.7138 -7.7495 -7.7495 -7.3997 -7.3997 4.5899 4.5899 4.7110 4.7110 6.0557 6.0557 6.3931 6.3931 6.7264 6.7264 8.1050 8.1050 10.2790 10.2790 10.7088 10.7088 10.8075 10.8075 12.3870 12.3870 12.5325 12.5325 20.1060 20.1060 21.9763 21.9763 k = 0.7103-0.1760-0.5417 ( 3822 PWs) bands (ev): -81.0232 -81.0232 -46.7146 -46.7146 -45.0059 -45.0059 -44.9541 -44.9541 -33.7145 -33.7145 -7.7810 -7.7810 -7.4042 -7.4042 4.5875 4.5875 4.7552 4.7552 6.0631 6.0631 6.4375 6.4375 6.7086 6.7086 8.1320 8.1320 10.2753 10.2753 10.7093 10.7093 10.8181 10.8181 12.3741 12.3741 12.5369 12.5369 20.0982 20.0982 21.9254 21.9254 k = 0.7059-0.1691-0.5283 ( 3824 PWs) bands (ev): -81.0234 -81.0234 -46.7139 -46.7139 -45.0048 -45.0048 -44.9539 -44.9539 -33.7152 -33.7152 -7.8132 -7.8132 -7.4088 -7.4088 4.5865 4.5865 4.8020 4.8020 6.0676 6.0676 6.4838 6.4838 6.6909 6.6909 8.1574 8.1574 10.2713 10.2713 10.7062 10.7062 10.8329 10.8329 12.3613 12.3613 12.5423 12.5423 20.0912 20.0912 21.8631 21.8631 k = 0.7014-0.1622-0.5148 ( 3824 PWs) bands (ev): -81.0236 -81.0236 -46.7133 -46.7133 -45.0036 -45.0036 -44.9537 -44.9537 -33.7160 -33.7160 -7.8460 -7.8460 -7.4136 -7.4136 4.5870 4.5870 4.8514 4.8514 6.0693 6.0693 6.5315 6.5315 6.6739 6.6739 8.1808 8.1808 10.2671 10.2671 10.7006 10.7006 10.8508 10.8508 12.3487 12.3487 12.5486 12.5486 20.0847 20.0847 21.7917 21.7917 k = 0.6969-0.1553-0.5014 ( 3822 PWs) bands (ev): -81.0238 -81.0238 -46.7126 -46.7126 -45.0023 -45.0023 -44.9535 -44.9535 -33.7168 -33.7168 -7.8795 -7.8795 -7.4185 -7.4185 4.5891 4.5891 4.9030 4.9030 6.0682 6.0682 6.5801 6.5801 6.6585 6.6585 8.2024 8.2024 10.2628 10.2628 10.6933 10.6933 10.8705 10.8705 12.3367 12.3367 12.5558 12.5558 20.0788 20.0788 21.7130 21.7130 k = 0.6924-0.1484-0.4879 ( 3822 PWs) bands (ev): -81.0240 -81.0240 -46.7119 -46.7119 -45.0011 -45.0011 -44.9533 -44.9533 -33.7176 -33.7176 -7.9135 -7.9135 -7.4234 -7.4234 4.5928 4.5928 4.9565 4.9565 6.0645 6.0645 6.6219 6.6219 6.6524 6.6524 8.2218 8.2218 10.2585 10.2585 10.6848 10.6848 10.8913 10.8913 12.3252 12.3252 12.5640 12.5640 20.0732 20.0732 21.6285 21.6285 k = 0.6880-0.1416-0.4745 ( 3820 PWs) bands (ev): -81.0242 -81.0242 -46.7112 -46.7112 -44.9998 -44.9998 -44.9531 -44.9531 -33.7184 -33.7184 -7.9480 -7.9480 -7.4285 -7.4285 4.5982 4.5982 5.0116 5.0116 6.0582 6.0582 6.6217 6.6217 6.6910 6.6910 8.2389 8.2389 10.2543 10.2543 10.6757 10.6757 10.9125 10.9125 12.3145 12.3145 12.5732 12.5732 20.0678 20.0678 21.5395 21.5395 k = 0.6835-0.1347-0.4610 ( 3818 PWs) bands (ev): -81.0244 -81.0244 -46.7105 -46.7105 -44.9984 -44.9984 -44.9529 -44.9529 -33.7192 -33.7192 -7.9829 -7.9829 -7.4336 -7.4336 4.6052 4.6052 5.0677 5.0677 6.0496 6.0496 6.6105 6.6105 6.7437 6.7437 8.2536 8.2537 10.2503 10.2503 10.6659 10.6659 10.9337 10.9337 12.3048 12.3048 12.5834 12.5834 20.0625 20.0625 21.4467 21.4467 k = 0.6790-0.1278-0.4476 ( 3828 PWs) bands (ev): -81.0246 -81.0246 -46.7098 -46.7098 -44.9971 -44.9971 -44.9527 -44.9527 -33.7201 -33.7201 -8.0180 -8.0180 -7.4388 -7.4388 4.6140 4.6140 5.1245 5.1245 6.0390 6.0390 6.6001 6.6001 6.7988 6.7988 8.2659 8.2659 10.2464 10.2464 10.6557 10.6557 10.9546 10.9546 12.2961 12.2961 12.5946 12.5946 20.0571 20.0571 21.3509 21.3509 k = 0.6745-0.1209-0.4341 ( 3828 PWs) bands (ev): -81.0248 -81.0248 -46.7091 -46.7091 -44.9957 -44.9957 -44.9526 -44.9526 -33.7210 -33.7210 -8.0534 -8.0534 -7.4441 -7.4441 4.6245 4.6245 5.1811 5.1811 6.0267 6.0267 6.5917 6.5917 6.8553 6.8553 8.2755 8.2755 10.2428 10.2428 10.6451 10.6451 10.9748 10.9748 12.2888 12.2888 12.6067 12.6067 20.0515 20.0515 21.2525 21.2525 k = 0.6701-0.1140-0.4207 ( 3836 PWs) bands (ev): -81.0250 -81.0250 -46.7084 -46.7084 -44.9943 -44.9943 -44.9524 -44.9524 -33.7218 -33.7218 -8.0890 -8.0890 -7.4495 -7.4495 4.6368 4.6368 5.2369 5.2369 6.0133 6.0133 6.5860 6.5860 6.9131 6.9131 8.2823 8.2823 10.2392 10.2392 10.6341 10.6341 10.9943 10.9943 12.2829 12.2829 12.6198 12.6198 20.0455 20.0455 21.1521 21.1521 k = 0.6656-0.1071-0.4072 ( 3836 PWs) bands (ev): -81.0253 -81.0253 -46.7076 -46.7076 -44.9928 -44.9928 -44.9522 -44.9522 -33.7227 -33.7227 -8.1247 -8.1247 -7.4549 -7.4549 4.6508 4.6508 5.2909 5.2909 5.9992 5.9992 6.5835 6.5835 6.9718 6.9718 8.2864 8.2864 10.2359 10.2359 10.6227 10.6227 11.0127 11.0127 12.2787 12.2787 12.6339 12.6339 20.0390 20.0390 21.0500 21.0500 k = 0.6611-0.1002-0.3938 ( 3834 PWs) bands (ev): -81.0255 -81.0255 -46.7069 -46.7069 -44.9914 -44.9914 -44.9521 -44.9521 -33.7236 -33.7236 -8.1603 -8.1603 -7.4603 -7.4603 4.6666 4.6666 5.3418 5.3418 5.9852 5.9852 6.5848 6.5848 7.0315 7.0315 8.2875 8.2875 10.2326 10.2326 10.6109 10.6109 11.0300 11.0300 12.2764 12.2764 12.6488 12.6488 20.0319 20.0319 20.9464 20.9464 k = 0.6566-0.0933-0.3803 ( 3838 PWs) bands (ev): -81.0257 -81.0257 -46.7061 -46.7061 -44.9899 -44.9899 -44.9520 -44.9520 -33.7245 -33.7245 -8.1959 -8.1959 -7.4657 -7.4657 4.6842 4.6842 5.3884 5.3884 5.9721 5.9721 6.5905 6.5905 7.0920 7.0920 8.2857 8.2857 10.2294 10.2294 10.5986 10.5986 11.0460 11.0460 12.2761 12.2761 12.6645 12.6645 20.0239 20.0239 20.8417 20.8417 k = 0.6522-0.0864-0.3669 ( 3838 PWs) bands (ev): -81.0260 -81.0260 -46.7054 -46.7054 -44.9884 -44.9884 -44.9518 -44.9518 -33.7254 -33.7254 -8.2314 -8.2314 -7.4712 -7.4712 4.7036 4.7036 5.4291 5.4291 5.9607 5.9607 6.6015 6.6015 7.1532 7.1532 8.2808 8.2808 10.2262 10.2262 10.5857 10.5857 11.0608 11.0608 12.2779 12.2779 12.6810 12.6810 20.0150 20.0150 20.7362 20.7362 k = 0.6477-0.0795-0.3534 ( 3846 PWs) bands (ev): -81.0262 -81.0262 -46.7046 -46.7046 -44.9869 -44.9869 -44.9517 -44.9517 -33.7263 -33.7263 -8.2666 -8.2666 -7.4767 -7.4767 4.7247 4.7247 5.4624 5.4624 5.9517 5.9517 6.6185 6.6185 7.2150 7.2150 8.2730 8.2730 10.2230 10.2230 10.5721 10.5721 11.0741 11.0741 12.2820 12.2820 12.6982 12.6982 20.0049 20.0049 20.6300 20.6300 k = 0.6432-0.0726-0.3400 ( 3848 PWs) bands (ev): -81.0264 -81.0264 -46.7038 -46.7038 -44.9854 -44.9854 -44.9516 -44.9516 -33.7272 -33.7272 -8.3016 -8.3016 -7.4821 -7.4821 4.7475 4.7475 5.4871 5.4871 5.9458 5.9458 6.6424 6.6424 7.2773 7.2773 8.2622 8.2622 10.2197 10.2197 10.5578 10.5578 11.0859 11.0859 12.2886 12.2886 12.7159 12.7159 19.9935 19.9935 20.5233 20.5233 k = 0.6387-0.0657-0.3265 ( 3846 PWs) bands (ev): -81.0266 -81.0266 -46.7031 -46.7031 -44.9839 -44.9839 -44.9514 -44.9514 -33.7281 -33.7281 -8.3362 -8.3362 -7.4875 -7.4875 4.7720 4.7720 5.5026 5.5026 5.9429 5.9429 6.6737 6.6737 7.3400 7.3400 8.2484 8.2484 10.2163 10.2163 10.5427 10.5427 11.0964 11.0964 12.2977 12.2977 12.7341 12.7341 19.9808 19.9808 20.4165 20.4165 k = 0.6343-0.0588-0.3131 ( 3844 PWs) bands (ev): -81.0269 -81.0269 -46.7023 -46.7023 -44.9823 -44.9823 -44.9513 -44.9513 -33.7290 -33.7290 -8.3704 -8.3704 -7.4929 -7.4929 4.7982 4.7982 5.5090 5.5090 5.9425 5.9425 6.7129 6.7129 7.4030 7.4030 8.2317 8.2317 10.2127 10.2127 10.5267 10.5267 11.1053 11.1053 12.3094 12.3094 12.7527 12.7527 19.9665 19.9665 20.3096 20.3096 k = 0.6298-0.0519-0.2996 ( 3848 PWs) bands (ev): -81.0271 -81.0271 -46.7016 -46.7016 -44.9808 -44.9808 -44.9512 -44.9512 -33.7299 -33.7299 -8.4042 -8.4042 -7.4983 -7.4983 4.8261 4.8261 5.5072 5.5072 5.9437 5.9437 6.7601 6.7601 7.4661 7.4661 8.2122 8.2122 10.2089 10.2089 10.5098 10.5098 11.1127 11.1127 12.3237 12.3237 12.7715 12.7715 19.9505 19.9505 20.2030 20.2030 k = 0.6253-0.0450-0.2862 ( 3848 PWs) bands (ev): -81.0273 -81.0273 -46.7009 -46.7009 -44.9793 -44.9793 -44.9511 -44.9511 -33.7307 -33.7307 -8.4374 -8.4374 -7.5036 -7.5036 4.8555 4.8555 5.4986 5.4986 5.9452 5.9452 6.8150 6.8150 7.5294 7.5294 8.1899 8.1899 10.2047 10.2047 10.4918 10.4918 11.1187 11.1187 12.3406 12.3406 12.7905 12.7905 19.9328 19.9328 20.0969 20.0969 k = 0.6208-0.0381-0.2727 ( 3844 PWs) bands (ev): -81.0275 -81.0275 -46.7001 -46.7001 -44.9778 -44.9778 -44.9510 -44.9510 -33.7316 -33.7316 -8.4700 -8.4700 -7.5089 -7.5089 4.8865 4.8865 5.4848 5.4848 5.9463 5.9463 6.8771 6.8771 7.5926 7.5926 8.1650 8.1650 10.2002 10.2002 10.4727 10.4727 11.1233 11.1233 12.3602 12.3602 12.8095 12.8095 19.9129 19.9129 19.9917 19.9917 k = 0.6164-0.0312-0.2593 ( 3844 PWs) bands (ev): -81.0277 -81.0277 -46.6994 -46.6994 -44.9764 -44.9764 -44.9509 -44.9509 -33.7325 -33.7325 -8.5019 -8.5019 -7.5140 -7.5140 4.9190 4.9190 5.4670 5.4670 5.9462 5.9462 6.9457 6.9457 7.6556 7.6556 8.1377 8.1377 10.1952 10.1952 10.4525 10.4525 11.1264 11.1264 12.3822 12.3822 12.8284 12.8284 19.8811 19.8811 19.8975 19.8975 k = 0.6119-0.0243-0.2458 ( 3850 PWs) bands (ev): -81.0280 -81.0280 -46.6987 -46.6987 -44.9749 -44.9749 -44.9508 -44.9508 -33.7333 -33.7333 -8.5331 -8.5331 -7.5191 -7.5191 4.9529 4.9529 5.4465 5.4465 5.9446 5.9446 7.0200 7.0200 7.7182 7.7182 8.1082 8.1082 10.1897 10.1897 10.4313 10.4313 11.1281 11.1281 12.4068 12.4068 12.8472 12.8472 19.7819 19.7819 19.8698 19.8698 k = 0.6074-0.0174-0.2324 ( 3846 PWs) bands (ev): -81.0282 -81.0282 -46.6980 -46.6980 -44.9735 -44.9735 -44.9508 -44.9508 -33.7341 -33.7341 -8.5635 -8.5635 -7.5241 -7.5241 4.9881 4.9881 5.4239 5.4239 5.9417 5.9417 7.0990 7.0990 7.7800 7.7800 8.0769 8.0769 10.1837 10.1837 10.4089 10.4089 11.1285 11.1285 12.4336 12.4336 12.8657 12.8657 19.6799 19.6799 19.8443 19.8443 k = 0.6029-0.0105-0.2189 ( 3842 PWs) bands (ev): -81.0284 -81.0284 -46.6973 -46.6973 -44.9721 -44.9721 -44.9507 -44.9507 -33.7349 -33.7349 -8.5931 -8.5931 -7.5290 -7.5290 5.0247 5.0247 5.4002 5.4002 5.9373 5.9373 7.1820 7.1820 7.8403 7.8403 8.0446 8.0446 10.1770 10.1770 10.3854 10.3854 11.1277 11.1277 12.4625 12.4625 12.8838 12.8838 19.5791 19.5791 19.8172 19.8172 k = 0.5985-0.0037-0.2054 ( 3838 PWs) bands (ev): -81.0286 -81.0286 -46.6967 -46.6967 -44.9707 -44.9707 -44.9506 -44.9506 -33.7357 -33.7357 -8.6218 -8.6218 -7.5337 -7.5337 5.0625 5.0625 5.3756 5.3756 5.9318 5.9318 7.2683 7.2683 7.8958 7.8958 8.0147 8.0147 10.1696 10.1696 10.3609 10.3609 11.1256 11.1256 12.4933 12.4933 12.9014 12.9014 19.4802 19.4802 19.7883 19.7883 k = 0.5940 0.0032-0.1920 ( 3838 PWs) bands (ev): -81.0288 -81.0288 -46.6960 -46.6960 -44.9693 -44.9693 -44.9505 -44.9505 -33.7365 -33.7365 -8.6496 -8.6496 -7.5384 -7.5384 5.1014 5.1014 5.3507 5.3507 5.9253 5.9253 7.3570 7.3570 7.9276 7.9276 8.0062 8.0062 10.1615 10.1615 10.3354 10.3354 11.1223 11.1223 12.5259 12.5259 12.9185 12.9185 19.3831 19.3831 19.7578 19.7578 k = 0.5895 0.0101-0.1785 ( 3838 PWs) bands (ev): -81.0290 -81.0290 -46.6954 -46.6954 -44.9680 -44.9680 -44.9505 -44.9505 -33.7372 -33.7372 -8.6764 -8.6764 -7.5429 -7.5429 5.1413 5.1413 5.3258 5.3258 5.9180 5.9180 7.4477 7.4477 7.9093 7.9093 8.0455 8.0455 10.1526 10.1526 10.3090 10.3090 11.1179 11.1179 12.5599 12.5599 12.9349 12.9349 19.2884 19.2884 19.7257 19.7257 k = 0.5850 0.0170-0.1651 ( 3842 PWs) bands (ev): -81.0291 -81.0291 -46.6948 -46.6948 -44.9668 -44.9668 -44.9504 -44.9504 -33.7379 -33.7379 -8.7022 -8.7022 -7.5472 -7.5472 5.1820 5.1820 5.3012 5.3012 5.9102 5.9102 7.5397 7.5397 7.8731 7.8731 8.1005 8.1005 10.1427 10.1427 10.2818 10.2818 11.1125 11.1125 12.5952 12.5952 12.9507 12.9507 19.1961 19.1961 19.6922 19.6922 k = 0.5806 0.0239-0.1516 ( 3836 PWs) bands (ev): -81.0293 -81.0293 -46.6942 -46.6942 -44.9655 -44.9655 -44.9504 -44.9504 -33.7386 -33.7386 -8.7269 -8.7269 -7.5514 -7.5514 5.2236 5.2236 5.2770 5.2770 5.9020 5.9020 7.6322 7.6322 7.8328 7.8328 8.1579 8.1579 10.1319 10.1319 10.2538 10.2538 11.1062 11.1062 12.6313 12.6313 12.9658 12.9658 19.1066 19.1066 19.6575 19.6575 k = 0.5761 0.0308-0.1382 ( 3840 PWs) bands (ev): -81.0295 -81.0295 -46.6937 -46.6937 -44.9644 -44.9644 -44.9503 -44.9503 -33.7393 -33.7393 -8.7505 -8.7505 -7.5554 -7.5554 5.2532 5.2532 5.2659 5.2659 5.8935 5.8935 7.7234 7.7234 7.7922 7.7922 8.2153 8.2153 10.1200 10.1200 10.2251 10.2251 11.0990 11.0990 12.6681 12.6681 12.9800 12.9800 19.0201 19.0201 19.6219 19.6219 k = 0.5716 0.0377-0.1247 ( 3840 PWs) bands (ev): -81.0296 -81.0296 -46.6932 -46.6932 -44.9632 -44.9632 -44.9503 -44.9503 -33.7399 -33.7399 -8.7730 -8.7730 -7.5592 -7.5592 5.2305 5.2305 5.3084 5.3084 5.8850 5.8850 7.7423 7.7423 7.8227 7.8227 8.2720 8.2720 10.1071 10.1071 10.1960 10.1960 11.0911 11.0911 12.7051 12.7051 12.9934 12.9934 18.9369 18.9369 19.5856 19.5856 k = 0.5671 0.0446-0.1113 ( 3834 PWs) bands (ev): -81.0298 -81.0298 -46.6927 -46.6927 -44.9621 -44.9621 -44.9502 -44.9502 -33.7405 -33.7405 -8.7942 -8.7942 -7.5629 -7.5629 5.2086 5.2086 5.3513 5.3513 5.8765 5.8765 7.6993 7.6993 7.9137 7.9137 8.3277 8.3277 10.0929 10.0929 10.1664 10.1664 11.0826 11.0826 12.7421 12.7421 13.0060 13.0060 18.8572 18.8572 19.5490 19.5490 k = 0.5627 0.0515-0.0978 ( 3838 PWs) bands (ev): -81.0299 -81.0299 -46.6922 -46.6922 -44.9611 -44.9611 -44.9502 -44.9502 -33.7411 -33.7411 -8.8143 -8.8143 -7.5663 -7.5663 5.1877 5.1877 5.3942 5.3942 5.8681 5.8681 7.6546 7.6546 8.0051 8.0051 8.3821 8.3821 10.0776 10.0776 10.1366 10.1366 11.0736 11.0736 12.7788 12.7788 13.0178 13.0178 18.7812 18.7812 19.5123 19.5123 k = 0.5582 0.0584-0.0844 ( 3836 PWs) bands (ev): -81.0301 -81.0301 -46.6917 -46.6917 -44.9602 -44.9602 -44.9501 -44.9501 -33.7416 -33.7416 -8.8331 -8.8331 -7.5696 -7.5696 5.1679 5.1679 5.4370 5.4370 5.8600 5.8600 7.6096 7.6096 8.0953 8.0953 8.4350 8.4350 10.0610 10.0610 10.1068 10.1068 11.0642 11.0642 12.8148 12.8148 13.0286 13.0286 18.7092 18.7092 19.4760 19.4760 k = 0.5537 0.0653-0.0709 ( 3832 PWs) bands (ev): -81.0302 -81.0302 -46.6913 -46.6913 -44.9593 -44.9593 -44.9501 -44.9501 -33.7421 -33.7421 -8.8507 -8.8507 -7.5726 -7.5726 5.1493 5.1493 5.4793 5.4793 5.8522 5.8522 7.5649 7.5649 8.1836 8.1836 8.4862 8.4862 10.0432 10.0432 10.0771 10.0771 11.0546 11.0546 12.8498 12.8498 13.0387 13.0387 18.6415 18.6415 19.4404 19.4404 k = 0.5492 0.0722-0.0575 ( 3836 PWs) bands (ev): -81.0303 -81.0303 -46.6909 -46.6909 -44.9585 -44.9585 -44.9500 -44.9500 -33.7426 -33.7426 -8.8669 -8.8669 -7.5754 -7.5754 5.1319 5.1319 5.5209 5.5209 5.8448 5.8448 7.5209 7.5209 8.2695 8.2695 8.5354 8.5354 10.0240 10.0240 10.0477 10.0477 11.0449 11.0449 12.8834 12.8834 13.0478 13.0478 18.5783 18.5783 19.4058 19.4058 k = 0.5448 0.0791-0.0440 ( 3836 PWs) bands (ev): -81.0304 -81.0304 -46.6906 -46.6906 -44.9577 -44.9577 -44.9500 -44.9500 -33.7430 -33.7430 -8.8818 -8.8818 -7.5780 -7.5780 5.1159 5.1159 5.5613 5.5613 5.8379 5.8379 7.4780 7.4780 8.3525 8.3525 8.5825 8.5825 10.0036 10.0036 10.0191 10.0191 11.0353 11.0353 12.9153 12.9153 13.0562 13.0562 18.5197 18.5197 19.3726 19.3726 k = 0.5403 0.0860-0.0306 ( 3834 PWs) bands (ev): -81.0305 -81.0305 -46.6902 -46.6902 -44.9570 -44.9570 -44.9500 -44.9500 -33.7434 -33.7434 -8.8954 -8.8954 -7.5804 -7.5804 5.1012 5.1012 5.6003 5.6003 5.8315 5.8315 7.4367 7.4367 8.4319 8.4319 8.6271 8.6271 9.9819 9.9819 9.9918 9.9918 11.0260 11.0260 12.9451 12.9451 13.0639 13.0639 18.4660 18.4660 19.3412 19.3412 k = 0.5358 0.0929-0.0171 ( 3836 PWs) bands (ev): -81.0306 -81.0306 -46.6899 -46.6899 -44.9564 -44.9564 -44.9499 -44.9499 -33.7438 -33.7438 -8.9076 -8.9076 -7.5825 -7.5825 5.0880 5.0880 5.6373 5.6373 5.8257 5.8257 7.3973 7.3973 8.5071 8.5071 8.6689 8.6689 9.9587 9.9587 9.9663 9.9663 11.0171 11.0171 12.9725 12.9725 13.0708 13.0708 18.4174 18.4174 19.3120 19.3120 k = 0.5313 0.0998-0.0037 ( 3832 PWs) bands (ev): -81.0307 -81.0307 -46.6897 -46.6897 -44.9559 -44.9559 -44.9499 -44.9499 -33.7441 -33.7441 -8.9184 -8.9184 -7.5844 -7.5844 5.0762 5.0762 5.6719 5.6719 5.8205 5.8205 7.3606 7.3606 8.5771 8.5771 8.7076 8.7076 9.9349 9.9349 9.9428 9.9428 11.0087 11.0087 12.9972 12.9972 13.0773 13.0773 18.3741 18.3741 19.2853 19.2853 k = 0.5269 0.1067 0.0098 ( 3834 PWs) bands (ev): -81.0308 -81.0308 -46.6895 -46.6895 -44.9554 -44.9554 -44.9498 -44.9498 -33.7444 -33.7444 -8.9278 -8.9278 -7.5860 -7.5860 5.0659 5.0659 5.7035 5.7035 5.8160 5.8160 7.3270 7.3270 8.6411 8.6411 8.7429 8.7429 9.9119 9.9119 9.9205 9.9205 11.0012 11.0012 13.0186 13.0186 13.0832 13.0832 18.3362 18.3362 19.2615 19.2615 k = 0.5224 0.1136 0.0232 ( 3834 PWs) bands (ev): -81.0308 -81.0308 -46.6893 -46.6893 -44.9550 -44.9550 -44.9498 -44.9498 -33.7446 -33.7446 -8.9357 -8.9357 -7.5875 -7.5875 5.0572 5.0572 5.7315 5.7315 5.8123 5.8123 7.2971 7.2971 8.6978 8.6978 8.7745 8.7745 9.8908 9.8908 9.8997 9.8997 10.9945 10.9945 13.0365 13.0365 13.0889 13.0889 18.3039 18.3039 19.2407 19.2407 k = 0.5179 0.1205 0.0367 ( 3834 PWs) bands (ev): -81.0309 -81.0309 -46.6891 -46.6891 -44.9547 -44.9547 -44.9497 -44.9497 -33.7448 -33.7448 -8.9423 -8.9423 -7.5886 -7.5886 5.0500 5.0500 5.7552 5.7552 5.8094 5.8094 7.2716 7.2716 8.7458 8.7458 8.8021 8.8021 9.8722 9.8722 9.8809 9.8809 10.9889 10.9889 13.0505 13.0505 13.0945 13.0945 18.2773 18.2773 19.2234 19.2234 k = 0.5134 0.1274 0.0501 ( 3834 PWs) bands (ev): -81.0309 -81.0309 -46.6890 -46.6890 -44.9544 -44.9544 -44.9497 -44.9497 -33.7449 -33.7449 -8.9474 -8.9474 -7.5895 -7.5895 5.0444 5.0444 5.7738 5.7738 5.8078 5.8078 7.2510 7.2510 8.7836 8.7836 8.8257 8.8257 9.8567 9.8567 9.8651 9.8651 10.9844 10.9844 13.0605 13.0605 13.0998 13.0998 18.2565 18.2565 19.2097 19.2097 k = 0.5090 0.1342 0.0636 ( 3828 PWs) bands (ev): -81.0309 -81.0309 -46.6889 -46.6889 -44.9542 -44.9542 -44.9497 -44.9497 -33.7450 -33.7450 -8.9510 -8.9510 -7.5901 -7.5901 5.0403 5.0403 5.7862 5.7862 5.8079 5.8079 7.2358 7.2358 8.8097 8.8097 8.8449 8.8449 9.8448 9.8448 9.8533 9.8533 10.9811 10.9811 13.0671 13.0671 13.1044 13.1044 18.2416 18.2416 19.1997 19.1997 k = 0.5045 0.1411 0.0770 ( 3830 PWs) bands (ev): -81.0310 -81.0310 -46.6888 -46.6888 -44.9541 -44.9541 -44.9497 -44.9497 -33.7451 -33.7451 -8.9532 -8.9532 -7.5905 -7.5905 5.0379 5.0379 5.7921 5.7921 5.8096 5.8096 7.2266 7.2266 8.8244 8.8244 8.8581 8.8581 9.8372 9.8372 9.8460 9.8460 10.9791 10.9791 13.0707 13.0707 13.1075 13.1075 18.2326 18.2326 19.1937 19.1937 k = 0.5000 0.1480 0.0905 ( 3838 PWs) bands (ev): -81.0310 -81.0310 -46.6888 -46.6888 -44.9541 -44.9541 -44.9497 -44.9497 -33.7451 -33.7451 -8.9539 -8.9539 -7.5907 -7.5907 5.0371 5.0371 5.7936 5.7936 5.8108 5.8108 7.2234 7.2234 8.8291 8.8291 8.8628 8.8628 9.8345 9.8345 9.8436 9.8436 10.9784 10.9784 13.0718 13.0718 13.1086 13.1086 18.2296 18.2296 19.1917 19.1917 k = 0.5000 0.1480 0.0905 ( 3838 PWs) bands (ev): -81.0310 -81.0310 -46.6888 -46.6888 -44.9541 -44.9541 -44.9497 -44.9497 -33.7451 -33.7451 -8.9539 -8.9539 -7.5907 -7.5907 5.0371 5.0371 5.7936 5.7936 5.8108 5.8108 7.2234 7.2234 8.8291 8.8291 8.8628 8.8628 9.8345 9.8345 9.8436 9.8436 10.9784 10.9784 13.0718 13.0718 13.1086 13.1086 18.2296 18.2296 19.1917 19.1917 k = 0.4853 0.1437 0.0878 ( 3835 PWs) bands (ev): -81.0310 -81.0310 -46.6888 -46.6888 -44.9541 -44.9541 -44.9497 -44.9497 -33.7451 -33.7451 -8.9543 -8.9543 -7.5902 -7.5902 5.0337 5.0337 5.7935 5.7935 5.8107 5.8107 7.2277 7.2277 8.8293 8.8293 8.8630 8.8630 9.8345 9.8345 9.8436 9.8436 10.9783 10.9783 13.0717 13.0717 13.1085 13.1085 18.2253 18.2253 19.1927 19.1927 k = 0.4706 0.1393 0.0851 ( 3826 PWs) bands (ev): -81.0310 -81.0310 -46.6888 -46.6888 -44.9541 -44.9541 -44.9497 -44.9497 -33.7451 -33.7451 -8.9552 -8.9552 -7.5887 -7.5887 5.0235 5.0235 5.7933 5.7933 5.8105 5.8105 7.2406 7.2406 8.8298 8.8298 8.8634 8.8634 9.8345 9.8345 9.8436 9.8436 10.9779 10.9779 13.0716 13.0716 13.1084 13.1084 18.2123 18.2123 19.1957 19.1957 k = 0.4559 0.1350 0.0825 ( 3832 PWs) bands (ev): -81.0310 -81.0310 -46.6888 -46.6888 -44.9541 -44.9541 -44.9497 -44.9497 -33.7451 -33.7451 -8.9569 -8.9569 -7.5862 -7.5862 5.0070 5.0070 5.7930 5.7930 5.8102 5.8102 7.2616 7.2616 8.8305 8.8305 8.8642 8.8642 9.8345 9.8345 9.8435 9.8435 10.9772 10.9772 13.0714 13.0714 13.1082 13.1082 18.1912 18.1912 19.2002 19.2002 k = 0.4412 0.1306 0.0798 ( 3832 PWs) bands (ev): -81.0310 -81.0310 -46.6888 -46.6888 -44.9541 -44.9541 -44.9497 -44.9497 -33.7451 -33.7451 -8.9591 -8.9591 -7.5827 -7.5827 4.9844 4.9844 5.7925 5.7925 5.8097 5.8097 7.2903 7.2903 8.8316 8.8316 8.8653 8.8653 9.8345 9.8345 9.8435 9.8435 10.9762 10.9762 13.0711 13.0711 13.1078 13.1078 18.1626 18.1626 19.2058 19.2058 k = 0.4265 0.1263 0.0772 ( 3829 PWs) bands (ev): -81.0310 -81.0310 -46.6888 -46.6888 -44.9541 -44.9541 -44.9497 -44.9497 -33.7452 -33.7452 -8.9619 -8.9619 -7.5784 -7.5784 4.9564 4.9564 5.7920 5.7920 5.8091 5.8091 7.3261 7.3261 8.8329 8.8329 8.8666 8.8666 9.8345 9.8345 9.8435 9.8435 10.9750 10.9750 13.0707 13.0707 13.1074 13.1074 18.1274 18.1274 19.2117 19.2117 k = 0.4118 0.1219 0.0745 ( 3835 PWs) bands (ev): -81.0310 -81.0310 -46.6888 -46.6888 -44.9541 -44.9541 -44.9497 -44.9497 -33.7452 -33.7452 -8.9653 -8.9653 -7.5732 -7.5732 4.9237 4.9237 5.7913 5.7913 5.8084 5.8084 7.3683 7.3683 8.8346 8.8346 8.8682 8.8682 9.8345 9.8345 9.8434 9.8434 10.9734 10.9734 13.0703 13.0703 13.1069 13.1069 18.0865 18.0865 19.2173 19.2173 k = 0.3971 0.1176 0.0718 ( 3835 PWs) bands (ev): -81.0310 -81.0310 -46.6888 -46.6888 -44.9541 -44.9541 -44.9497 -44.9497 -33.7452 -33.7452 -8.9693 -8.9693 -7.5671 -7.5671 4.8870 4.8870 5.7905 5.7905 5.8076 5.8076 7.4162 7.4162 8.8365 8.8365 8.8701 8.8701 9.8345 9.8345 9.8433 9.8433 10.9715 10.9715 13.0697 13.0697 13.1063 13.1063 18.0408 18.0408 19.2220 19.2220 k = 0.3824 0.1132 0.0692 ( 3844 PWs) bands (ev): -81.0310 -81.0310 -46.6888 -46.6888 -44.9541 -44.9541 -44.9497 -44.9497 -33.7452 -33.7452 -8.9737 -8.9737 -7.5603 -7.5603 4.8470 4.8470 5.7895 5.7895 5.8066 5.8066 7.4690 7.4690 8.8386 8.8386 8.8722 8.8722 9.8345 9.8345 9.8433 9.8433 10.9693 10.9693 13.0691 13.0691 13.1056 13.1056 17.9911 17.9911 19.2255 19.2255 k = 0.3676 0.1089 0.0665 ( 3844 PWs) bands (ev): -81.0310 -81.0310 -46.6888 -46.6888 -44.9541 -44.9541 -44.9497 -44.9497 -33.7452 -33.7452 -8.9785 -8.9785 -7.5528 -7.5528 4.8043 4.8043 5.7885 5.7885 5.8056 5.8056 7.5260 7.5260 8.8410 8.8410 8.8746 8.8746 9.8345 9.8345 9.8432 9.8432 10.9667 10.9667 13.0685 13.0685 13.1049 13.1049 17.9383 17.9383 19.2272 19.2272 k = 0.3529 0.1045 0.0639 ( 3844 PWs) bands (ev): -81.0310 -81.0310 -46.6888 -46.6888 -44.9541 -44.9541 -44.9497 -44.9497 -33.7452 -33.7452 -8.9837 -8.9837 -7.5448 -7.5448 4.7596 4.7596 5.7875 5.7875 5.8045 5.8045 7.5865 7.5865 8.8435 8.8435 8.8772 8.8772 9.8345 9.8345 9.8431 9.8431 10.9638 10.9638 13.0677 13.0677 13.1041 13.1041 17.8830 17.8830 19.2269 19.2269 k = 0.3382 0.1001 0.0612 ( 3838 PWs) bands (ev): -81.0310 -81.0310 -46.6888 -46.6888 -44.9541 -44.9541 -44.9497 -44.9497 -33.7452 -33.7452 -8.9892 -8.9892 -7.5361 -7.5361 4.7135 4.7135 5.7863 5.7863 5.8033 5.8033 7.6497 7.6497 8.8463 8.8463 8.8799 8.8799 9.8344 9.8344 9.8430 9.8430 10.9605 10.9605 13.0670 13.0670 13.1033 13.1033 17.8258 17.8258 19.2245 19.2245 k = 0.3235 0.0958 0.0585 ( 3838 PWs) bands (ev): -81.0310 -81.0310 -46.6888 -46.6888 -44.9541 -44.9541 -44.9497 -44.9497 -33.7452 -33.7452 -8.9949 -8.9949 -7.5271 -7.5271 4.6665 4.6665 5.7851 5.7851 5.8020 5.8020 7.7152 7.7152 8.8493 8.8493 8.8828 8.8828 9.8344 9.8344 9.8429 9.8429 10.9567 10.9567 13.0662 13.0662 13.1023 13.1023 17.7675 17.7675 19.2200 19.2200 k = 0.3088 0.0914 0.0559 ( 3838 PWs) bands (ev): -81.0310 -81.0310 -46.6888 -46.6888 -44.9541 -44.9541 -44.9497 -44.9497 -33.7452 -33.7452 -9.0009 -9.0009 -7.5176 -7.5176 4.6191 4.6191 5.7838 5.7838 5.8007 5.8007 7.7823 7.7823 8.8524 8.8524 8.8859 8.8859 9.8344 9.8344 9.8428 9.8428 10.9526 10.9526 13.0653 13.0653 13.1014 13.1014 17.7085 17.7085 19.2133 19.2133 k = 0.2941 0.0871 0.0532 ( 3833 PWs) bands (ev): -81.0310 -81.0310 -46.6888 -46.6888 -44.9541 -44.9541 -44.9496 -44.9496 -33.7453 -33.7453 -9.0070 -9.0070 -7.5079 -7.5079 4.5717 4.5717 5.7824 5.7824 5.7993 5.7993 7.8504 7.8504 8.8556 8.8556 8.8891 8.8891 9.8343 9.8343 9.8426 9.8426 10.9480 10.9480 13.0644 13.0644 13.1004 13.1004 17.6493 17.6493 19.2046 19.2046 k = 0.2794 0.0827 0.0506 ( 3827 PWs) bands (ev): -81.0310 -81.0310 -46.6888 -46.6888 -44.9541 -44.9541 -44.9496 -44.9496 -33.7453 -33.7453 -9.0132 -9.0132 -7.4980 -7.4980 4.5247 4.5247 5.7811 5.7811 5.7979 5.7979 7.9191 7.9191 8.8589 8.8589 8.8924 8.8924 9.8342 9.8342 9.8425 9.8425 10.9430 10.9430 13.0635 13.0635 13.0994 13.0994 17.5904 17.5904 19.1941 19.1941 k = 0.2647 0.0784 0.0479 ( 3824 PWs) bands (ev): -81.0310 -81.0310 -46.6888 -46.6888 -44.9541 -44.9541 -44.9496 -44.9496 -33.7453 -33.7453 -9.0194 -9.0194 -7.4880 -7.4880 4.4785 4.4785 5.7797 5.7797 5.7965 5.7965 7.9879 7.9879 8.8622 8.8622 8.8957 8.8957 9.8341 9.8341 9.8423 9.8423 10.9376 10.9376 13.0626 13.0626 13.0984 13.0984 17.5321 17.5321 19.1819 19.1819 k = 0.2500 0.0740 0.0452 ( 3845 PWs) bands (ev): -81.0310 -81.0310 -46.6888 -46.6888 -44.9541 -44.9541 -44.9496 -44.9496 -33.7453 -33.7453 -9.0256 -9.0256 -7.4780 -7.4780 4.4333 4.4333 5.7783 5.7783 5.7950 5.7950 8.0563 8.0563 8.8656 8.8656 8.8991 8.8991 9.8340 9.8340 9.8421 9.8421 10.9317 10.9317 13.0617 13.0617 13.0974 13.0974 17.4749 17.4749 19.1683 19.1683 k = 0.2353 0.0697 0.0426 ( 3845 PWs) bands (ev): -81.0310 -81.0310 -46.6888 -46.6888 -44.9541 -44.9541 -44.9496 -44.9496 -33.7453 -33.7453 -9.0318 -9.0318 -7.4681 -7.4681 4.3895 4.3895 5.7769 5.7769 5.7936 5.7936 8.1238 8.1238 8.8691 8.8691 8.9025 8.9025 9.8339 9.8339 9.8419 9.8419 10.9254 10.9254 13.0608 13.0608 13.0963 13.0963 17.4190 17.4190 19.1537 19.1537 k = 0.2206 0.0653 0.0399 ( 3839 PWs) bands (ev): -81.0310 -81.0310 -46.6888 -46.6888 -44.9541 -44.9541 -44.9496 -44.9496 -33.7453 -33.7453 -9.0378 -9.0378 -7.4582 -7.4582 4.3473 4.3473 5.7755 5.7755 5.7922 5.7922 8.1901 8.1901 8.8725 8.8725 8.9058 8.9058 9.8338 9.8338 9.8417 9.8417 10.9188 10.9188 13.0599 13.0599 13.0953 13.0953 17.3649 17.3649 19.1382 19.1382 k = 0.2059 0.0610 0.0373 ( 3845 PWs) bands (ev): -81.0310 -81.0310 -46.6888 -46.6888 -44.9541 -44.9541 -44.9496 -44.9496 -33.7454 -33.7454 -9.0436 -9.0436 -7.4487 -7.4487 4.3069 4.3069 5.7741 5.7741 5.7908 5.7908 8.2547 8.2547 8.8758 8.8758 8.9091 8.9091 9.8337 9.8337 9.8415 9.8415 10.9118 10.9118 13.0590 13.0590 13.0943 13.0943 17.3128 17.3128 19.1221 19.1221 k = 0.1912 0.0566 0.0346 ( 3851 PWs) bands (ev): -81.0310 -81.0310 -46.6888 -46.6888 -44.9541 -44.9541 -44.9496 -44.9496 -33.7454 -33.7454 -9.0493 -9.0493 -7.4394 -7.4394 4.2685 4.2685 5.7728 5.7728 5.7894 5.7894 8.3173 8.3173 8.8791 8.8791 8.9124 8.9124 9.8336 9.8336 9.8413 9.8413 10.9045 10.9045 13.0581 13.0581 13.0933 13.0933 17.2630 17.2630 19.1057 19.1057 k = 0.1765 0.0522 0.0319 ( 3854 PWs) bands (ev): -81.0310 -81.0310 -46.6888 -46.6888 -44.9541 -44.9541 -44.9496 -44.9496 -33.7454 -33.7454 -9.0546 -9.0546 -7.4305 -7.4305 4.2323 4.2323 5.7715 5.7715 5.7881 5.7881 8.3774 8.3774 8.8823 8.8823 8.9155 8.9155 9.8334 9.8334 9.8411 9.8411 10.8971 10.8971 13.0573 13.0573 13.0924 13.0924 17.2158 17.2158 19.0894 19.0894 k = 0.1618 0.0479 0.0293 ( 3857 PWs) bands (ev): -81.0310 -81.0310 -46.6888 -46.6888 -44.9541 -44.9541 -44.9496 -44.9496 -33.7454 -33.7454 -9.0597 -9.0597 -7.4220 -7.4220 4.1985 4.1985 5.7703 5.7703 5.7868 5.7868 8.4345 8.4345 8.8854 8.8854 8.9185 8.9185 9.8333 9.8333 9.8409 9.8409 10.8895 10.8895 13.0565 13.0565 13.0915 13.0915 17.1714 17.1714 19.0733 19.0733 k = 0.1471 0.0435 0.0266 ( 3857 PWs) bands (ev): -81.0310 -81.0310 -46.6888 -46.6888 -44.9541 -44.9541 -44.9496 -44.9496 -33.7454 -33.7454 -9.0645 -9.0645 -7.4141 -7.4141 4.1671 4.1671 5.7691 5.7691 5.7856 5.7856 8.4884 8.4884 8.8883 8.8883 8.9213 8.9213 9.8331 9.8331 9.8407 9.8407 10.8819 10.8819 13.0557 13.0557 13.0907 13.0907 17.1301 17.1301 19.0577 19.0577 k = 0.1324 0.0392 0.0239 ( 3851 PWs) bands (ev): -81.0310 -81.0310 -46.6888 -46.6888 -44.9541 -44.9541 -44.9496 -44.9496 -33.7454 -33.7454 -9.0689 -9.0689 -7.4067 -7.4067 4.1384 4.1384 5.7681 5.7681 5.7846 5.7846 8.5387 8.5387 8.8911 8.8911 8.9240 8.9240 9.8330 9.8330 9.8405 9.8405 10.8743 10.8743 13.0550 13.0550 13.0899 13.0899 17.0920 17.0920 19.0429 19.0429 k = 0.1176 0.0348 0.0213 ( 3851 PWs) bands (ev): -81.0310 -81.0310 -46.6888 -46.6888 -44.9541 -44.9541 -44.9496 -44.9496 -33.7454 -33.7454 -9.0729 -9.0729 -7.3999 -7.3999 4.1124 4.1124 5.7671 5.7671 5.7835 5.7835 8.5848 8.5848 8.8937 8.8937 8.9264 8.9264 9.8328 9.8328 9.8404 9.8404 10.8671 10.8671 13.0544 13.0544 13.0892 13.0892 17.0574 17.0574 19.0290 19.0290 k = 0.1029 0.0305 0.0186 ( 3854 PWs) bands (ev): -81.0310 -81.0310 -46.6888 -46.6888 -44.9541 -44.9541 -44.9496 -44.9496 -33.7454 -33.7454 -9.0765 -9.0765 -7.3938 -7.3938 4.0893 4.0893 5.7662 5.7662 5.7826 5.7826 8.6266 8.6266 8.8961 8.8961 8.9286 8.9286 9.8327 9.8327 9.8402 9.8402 10.8601 10.8601 13.0538 13.0538 13.0885 13.0885 17.0265 17.0265 19.0163 19.0163 k = 0.0882 0.0261 0.0160 ( 3848 PWs) bands (ev): -81.0310 -81.0310 -46.6888 -46.6888 -44.9541 -44.9541 -44.9496 -44.9496 -33.7454 -33.7454 -9.0797 -9.0797 -7.3885 -7.3885 4.0690 4.0690 5.7654 5.7654 5.7818 5.7818 8.6635 8.6635 8.8982 8.8982 8.9305 8.9305 9.8326 9.8326 9.8400 9.8400 10.8538 10.8538 13.0533 13.0533 13.0879 13.0879 16.9993 16.9993 19.0050 19.0050 k = 0.0735 0.0218 0.0133 ( 3845 PWs) bands (ev): -81.0310 -81.0310 -46.6888 -46.6888 -44.9541 -44.9541 -44.9496 -44.9496 -33.7454 -33.7454 -9.0824 -9.0824 -7.3839 -7.3839 4.0518 4.0518 5.7648 5.7648 5.7811 5.7811 8.6954 8.6954 8.9002 8.9002 8.9322 8.9322 9.8324 9.8324 9.8399 9.8399 10.8480 10.8480 13.0529 13.0529 13.0875 13.0875 16.9761 16.9761 18.9951 18.9951 k = 0.0588 0.0174 0.0106 ( 3845 PWs) bands (ev): -81.0310 -81.0310 -46.6888 -46.6888 -44.9541 -44.9541 -44.9496 -44.9496 -33.7455 -33.7455 -9.0846 -9.0846 -7.3801 -7.3801 4.0376 4.0376 5.7642 5.7642 5.7806 5.7806 8.7218 8.7218 8.9018 8.9018 8.9336 8.9336 9.8323 9.8323 9.8398 9.8398 10.8431 10.8431 13.0525 13.0525 13.0871 13.0871 16.9569 16.9569 18.9868 18.9868 k = 0.0441 0.0131 0.0080 ( 3845 PWs) bands (ev): -81.0310 -81.0310 -46.6888 -46.6888 -44.9541 -44.9541 -44.9496 -44.9496 -33.7455 -33.7455 -9.0864 -9.0864 -7.3771 -7.3771 4.0265 4.0265 5.7638 5.7638 5.7801 5.7801 8.7426 8.7426 8.9032 8.9032 8.9347 8.9347 9.8322 9.8322 9.8397 9.8397 10.8391 10.8391 13.0522 13.0522 13.0867 13.0867 16.9419 16.9419 18.9803 18.9803 k = 0.0294 0.0087 0.0053 ( 3845 PWs) bands (ev): -81.0310 -81.0310 -46.6888 -46.6888 -44.9541 -44.9541 -44.9496 -44.9496 -33.7455 -33.7455 -9.0877 -9.0877 -7.3749 -7.3749 4.0186 4.0186 5.7634 5.7634 5.7798 5.7798 8.7575 8.7575 8.9042 8.9042 8.9355 8.9355 9.8322 9.8322 9.8396 9.8396 10.8362 10.8362 13.0520 13.0520 13.0865 13.0865 16.9311 16.9311 18.9756 18.9756 k = 0.0147 0.0044 0.0027 ( 3851 PWs) bands (ev): -81.0310 -81.0310 -46.6888 -46.6888 -44.9541 -44.9541 -44.9496 -44.9496 -33.7455 -33.7455 -9.0884 -9.0884 -7.3736 -7.3736 4.0138 4.0138 5.7632 5.7632 5.7796 5.7796 8.7665 8.7665 8.9049 8.9049 8.9360 8.9360 9.8321 9.8321 9.8396 9.8396 10.8344 10.8344 13.0519 13.0519 13.0864 13.0864 16.9246 16.9246 18.9727 18.9727 k = 0.0000 0.0000 0.0000 ( 3851 PWs) bands (ev): -81.0310 -81.0310 -46.6888 -46.6888 -44.9541 -44.9541 -44.9496 -44.9496 -33.7455 -33.7455 -9.0887 -9.0887 -7.3732 -7.3732 4.0122 4.0122 5.7632 5.7632 5.7795 5.7795 8.7696 8.7696 8.9051 8.9051 8.9361 8.9361 9.8321 9.8321 9.8396 9.8396 10.8338 10.8338 13.0518 13.0518 13.0863 13.0863 16.9224 16.9224 18.9718 18.9718 k = 0.0000 0.0000 0.0000 ( 3851 PWs) bands (ev): -81.0310 -81.0310 -46.6888 -46.6888 -44.9541 -44.9541 -44.9496 -44.9496 -33.7455 -33.7455 -9.0887 -9.0887 -7.3732 -7.3732 4.0122 4.0122 5.7632 5.7632 5.7795 5.7795 8.7696 8.7696 8.9051 8.9051 8.9361 8.9361 9.8321 9.8321 9.8396 9.8396 10.8338 10.8338 13.0518 13.0518 13.0863 13.0863 16.9224 16.9224 18.9718 18.9718 k = 0.0045-0.0069-0.0134 ( 3851 PWs) bands (ev): -81.0310 -81.0310 -46.6888 -46.6888 -44.9542 -44.9542 -44.9496 -44.9496 -33.7455 -33.7455 -9.0880 -9.0880 -7.3731 -7.3731 4.0130 4.0130 5.7626 5.7626 5.7791 5.7791 8.7703 8.7703 8.9007 8.9007 8.9315 8.9315 9.8350 9.8350 9.8423 9.8423 10.8341 10.8341 13.0505 13.0505 13.0850 13.0850 16.9249 16.9249 18.9754 18.9754 k = 0.0089-0.0137-0.0268 ( 3851 PWs) bands (ev): -81.0310 -81.0310 -46.6889 -46.6889 -44.9543 -44.9543 -44.9496 -44.9496 -33.7454 -33.7454 -9.0859 -9.0859 -7.3728 -7.3728 4.0155 4.0155 5.7605 5.7605 5.7781 5.7781 8.7723 8.7723 8.8870 8.8870 8.9187 8.9187 9.8435 9.8435 9.8504 9.8504 10.8351 10.8351 13.0462 13.0462 13.0813 13.0813 16.9325 16.9325 18.9862 18.9862 k = 0.0134-0.0206-0.0402 ( 3853 PWs) bands (ev): -81.0309 -81.0309 -46.6890 -46.6890 -44.9544 -44.9544 -44.9497 -44.9497 -33.7453 -33.7453 -9.0823 -9.0823 -7.3722 -7.3722 4.0197 4.0197 5.7557 5.7557 5.7778 5.7778 8.7749 8.7749 8.8631 8.8631 8.9003 8.9003 9.8570 9.8570 9.8633 9.8633 10.8367 10.8367 13.0385 13.0385 13.0759 13.0759 16.9450 16.9450 19.0041 19.0041 k = 0.0178-0.0275-0.0536 ( 3851 PWs) bands (ev): -81.0309 -81.0309 -46.6891 -46.6891 -44.9547 -44.9547 -44.9497 -44.9497 -33.7451 -33.7451 -9.0774 -9.0774 -7.3715 -7.3715 4.0255 4.0255 5.7478 5.7478 5.7787 5.7787 8.7759 8.7759 8.8300 8.8300 8.8789 8.8789 9.8746 9.8746 9.8805 9.8805 10.8389 10.8389 13.0267 13.0267 13.0694 13.0694 16.9625 16.9625 19.0290 19.0290 k = 0.0223-0.0344-0.0670 ( 3847 PWs) bands (ev): -81.0308 -81.0308 -46.6893 -46.6893 -44.9550 -44.9550 -44.9497 -44.9497 -33.7449 -33.7449 -9.0711 -9.0711 -7.3705 -7.3705 4.0330 4.0330 5.7369 5.7369 5.7807 5.7807 8.7639 8.7639 8.7972 8.7972 8.8581 8.8581 9.8958 9.8958 9.9009 9.9009 10.8417 10.8417 13.0107 13.0107 13.0624 13.0624 16.9848 16.9848 19.0607 19.0607 k = 0.0268-0.0412-0.0804 ( 3841 PWs) bands (ev): -81.0308 -81.0308 -46.6894 -46.6894 -44.9554 -44.9554 -44.9498 -44.9498 -33.7447 -33.7447 -9.0633 -9.0633 -7.3694 -7.3694 4.0421 4.0421 5.7233 5.7233 5.7836 5.7836 8.7205 8.7205 8.7779 8.7779 8.8447 8.8447 9.9194 9.9194 9.9240 9.9240 10.8451 10.8451 12.9907 12.9907 13.0550 13.0550 17.0118 17.0118 19.0990 19.0990 k = 0.0312-0.0481-0.0938 ( 3843 PWs) bands (ev): -81.0307 -81.0307 -46.6897 -46.6897 -44.9558 -44.9558 -44.9498 -44.9498 -33.7444 -33.7444 -9.0542 -9.0542 -7.3680 -7.3680 4.0528 4.0528 5.7075 5.7075 5.7873 5.7873 8.6623 8.6623 8.7518 8.7518 8.8436 8.8436 9.9442 9.9442 9.9496 9.9496 10.8490 10.8490 12.9672 12.9672 13.0470 13.0470 17.0433 17.0433 19.1435 19.1435 k = 0.0357-0.0550-0.1072 ( 3841 PWs) bands (ev): -81.0306 -81.0306 -46.6899 -46.6899 -44.9564 -44.9564 -44.9499 -44.9499 -33.7441 -33.7441 -9.0437 -9.0437 -7.3665 -7.3665 4.0652 4.0652 5.6895 5.6895 5.7915 5.7915 8.5971 8.5971 8.7169 8.7169 8.8504 8.8504 9.9688 9.9688 9.9779 9.9779 10.8534 10.8534 12.9406 12.9406 13.0382 13.0382 17.0792 17.0792 19.1941 19.1941 k = 0.0401-0.0618-0.1206 ( 3843 PWs) bands (ev): -81.0305 -81.0305 -46.6902 -46.6902 -44.9570 -44.9570 -44.9499 -44.9499 -33.7437 -33.7437 -9.0319 -9.0319 -7.3647 -7.3647 4.0792 4.0792 5.6696 5.6696 5.7963 5.7963 8.5266 8.5266 8.6767 8.6767 8.8608 8.8608 9.9930 9.9930 10.0082 10.0082 10.8581 10.8581 12.9116 12.9116 13.0286 13.0286 17.1193 17.1193 19.2502 19.2502 k = 0.0446-0.0687-0.1340 ( 3841 PWs) bands (ev): -81.0304 -81.0304 -46.6905 -46.6905 -44.9577 -44.9577 -44.9499 -44.9499 -33.7434 -33.7434 -9.0188 -9.0188 -7.3628 -7.3628 4.0947 4.0947 5.6481 5.6481 5.8016 5.8016 8.4518 8.4518 8.6329 8.6329 8.8728 8.8728 10.0165 10.0165 10.0398 10.0398 10.8633 10.8633 12.8806 12.8806 13.0181 13.0181 17.1633 17.1633 19.3117 19.3117 k = 0.0491-0.0756-0.1474 ( 3847 PWs) bands (ev): -81.0303 -81.0303 -46.6909 -46.6909 -44.9584 -44.9584 -44.9500 -44.9500 -33.7429 -33.7429 -9.0043 -9.0043 -7.3607 -7.3607 4.1119 4.1119 5.6251 5.6251 5.8072 5.8072 8.3735 8.3735 8.5864 8.5864 8.8854 8.8854 10.0391 10.0391 10.0723 10.0723 10.8688 10.8688 12.8482 12.8482 13.0067 13.0067 17.2111 17.2111 19.3782 19.3782 k = 0.0535-0.0824-0.1608 ( 3841 PWs) bands (ev): -81.0302 -81.0302 -46.6913 -46.6913 -44.9592 -44.9592 -44.9500 -44.9500 -33.7424 -33.7424 -8.9885 -8.9885 -7.3585 -7.3585 4.1306 4.1306 5.6008 5.6008 5.8133 5.8133 8.2921 8.2921 8.5378 8.5378 8.8979 8.8979 10.0608 10.0608 10.1054 10.1054 10.8744 10.8744 12.8149 12.8149 12.9943 12.9943 17.2623 17.2623 19.4492 19.4492 k = 0.0580-0.0893-0.1742 ( 3845 PWs) bands (ev): -81.0301 -81.0301 -46.6917 -46.6917 -44.9601 -44.9601 -44.9501 -44.9501 -33.7419 -33.7419 -8.9714 -8.9714 -7.3561 -7.3561 4.1508 4.1508 5.5755 5.5755 5.8196 5.8196 8.2081 8.2081 8.4874 8.4874 8.9099 8.9099 10.0812 10.0812 10.1389 10.1389 10.8803 10.8803 12.7813 12.7813 12.9811 12.9811 17.3169 17.3169 19.5245 19.5245 k = 0.0624-0.0962-0.1876 ( 3839 PWs) bands (ev): -81.0299 -81.0299 -46.6921 -46.6921 -44.9611 -44.9611 -44.9501 -44.9501 -33.7414 -33.7414 -8.9531 -8.9531 -7.3535 -7.3535 4.1725 4.1725 5.5493 5.5493 5.8261 5.8261 8.1221 8.1221 8.4355 8.4355 8.9208 8.9208 10.1005 10.1005 10.1726 10.1726 10.8863 10.8863 12.7477 12.7477 12.9669 12.9669 17.3744 17.3744 19.6037 19.6037 k = 0.0669-0.1031-0.2010 ( 3841 PWs) bands (ev): -81.0298 -81.0298 -46.6926 -46.6926 -44.9621 -44.9621 -44.9502 -44.9502 -33.7408 -33.7408 -8.9336 -8.9336 -7.3508 -7.3508 4.1957 4.1957 5.5225 5.5225 5.8327 5.8327 8.0343 8.0343 8.3823 8.3823 8.9304 8.9304 10.1185 10.1185 10.2063 10.2063 10.8923 10.8923 12.7148 12.7148 12.9518 12.9518 17.4347 17.4347 19.6864 19.6864 k = 0.0713-0.1099-0.2144 ( 3839 PWs) bands (ev): -81.0297 -81.0297 -46.6931 -46.6931 -44.9632 -44.9632 -44.9502 -44.9502 -33.7402 -33.7402 -8.9129 -8.9129 -7.3480 -7.3480 4.2204 4.2204 5.4951 5.4951 5.8394 5.8394 7.9451 7.9451 8.3281 8.3281 8.9380 8.9380 10.1352 10.1352 10.2398 10.2398 10.8982 10.8982 12.6830 12.6830 12.9359 12.9359 17.4975 17.4975 19.7723 19.7723 k = 0.0758-0.1168-0.2279 ( 3841 PWs) bands (ev): -81.0295 -81.0295 -46.6936 -46.6936 -44.9643 -44.9643 -44.9503 -44.9503 -33.7396 -33.7396 -8.8910 -8.8910 -7.3450 -7.3450 4.2465 4.2465 5.4675 5.4675 5.8460 5.8460 7.8550 7.8550 8.2729 8.2729 8.9435 8.9435 10.1507 10.1507 10.2730 10.2730 10.9040 10.9040 12.6528 12.6528 12.9192 12.9192 17.5625 17.5625 19.8611 19.8611 k = 0.0803-0.1237-0.2413 ( 3843 PWs) bands (ev): -81.0293 -81.0293 -46.6942 -46.6942 -44.9654 -44.9654 -44.9503 -44.9503 -33.7389 -33.7389 -8.8680 -8.8680 -7.3420 -7.3420 4.2740 4.2740 5.4396 5.4396 5.8525 5.8525 7.7641 7.7641 8.2170 8.2170 8.9465 8.9465 10.1651 10.1651 10.3059 10.3059 10.9097 10.9097 12.6245 12.6245 12.9017 12.9017 17.6294 17.6294 19.9525 19.9525 k = 0.0847-0.1305-0.2547 ( 3839 PWs) bands (ev): -81.0291 -81.0291 -46.6948 -46.6948 -44.9667 -44.9667 -44.9504 -44.9504 -33.7382 -33.7382 -8.8438 -8.8438 -7.3388 -7.3388 4.3028 4.3028 5.4118 5.4118 5.8586 5.8586 7.6729 7.6729 8.1605 8.1605 8.9465 8.9465 10.1783 10.1783 10.3382 10.3382 10.9151 10.9151 12.5985 12.5985 12.8836 12.8836 17.6981 17.6981 20.0461 20.0461 k = 0.0892-0.1374-0.2681 ( 3843 PWs) bands (ev): -81.0290 -81.0290 -46.6954 -46.6954 -44.9679 -44.9679 -44.9504 -44.9504 -33.7375 -33.7375 -8.8186 -8.8186 -7.3356 -7.3356 4.3329 4.3329 5.3842 5.3842 5.8643 5.8643 7.5816 7.5816 8.1035 8.1035 8.9435 8.9435 10.1905 10.1905 10.3700 10.3700 10.9201 10.9201 12.5752 12.5752 12.8648 12.8648 17.7682 17.7682 20.1416 20.1416 k = 0.0936-0.1443-0.2815 ( 3851 PWs) bands (ev): -81.0288 -81.0288 -46.6960 -46.6960 -44.9692 -44.9692 -44.9505 -44.9505 -33.7368 -33.7368 -8.7924 -8.7924 -7.3323 -7.3323 4.3643 4.3643 5.3568 5.3568 5.8694 5.8694 7.4906 7.4906 8.0461 8.0461 8.9370 8.9370 10.2017 10.2017 10.4011 10.4011 10.9248 10.9248 12.5549 12.5549 12.8455 12.8455 17.8395 17.8395 20.2389 20.2389 k = 0.0981-0.1512-0.2949 ( 3851 PWs) bands (ev): -81.0286 -81.0286 -46.6966 -46.6966 -44.9706 -44.9706 -44.9506 -44.9506 -33.7360 -33.7360 -8.7652 -8.7652 -7.3289 -7.3289 4.3970 4.3970 5.3298 5.3298 5.8737 5.8737 7.4002 7.4002 7.9885 7.9885 8.9271 8.9271 10.2119 10.2119 10.4315 10.4315 10.9290 10.9290 12.5378 12.5378 12.8258 12.8258 17.9118 17.9118 20.3375 20.3375 k = 0.1026-0.1580-0.3083 ( 3853 PWs) bands (ev): -81.0284 -81.0284 -46.6973 -46.6973 -44.9720 -44.9720 -44.9506 -44.9506 -33.7352 -33.7352 -8.7370 -8.7370 -7.3255 -7.3255 4.4308 4.4308 5.3033 5.3033 5.8771 5.8771 7.3108 7.3108 7.9307 7.9307 8.9134 8.9134 10.2213 10.2213 10.4610 10.4610 10.9327 10.9327 12.5240 12.5240 12.8057 12.8057 17.9848 17.9848 20.4373 20.4373 k = 0.1070-0.1649-0.3217 ( 3849 PWs) bands (ev): -81.0282 -81.0282 -46.6979 -46.6979 -44.9734 -44.9734 -44.9507 -44.9507 -33.7344 -33.7344 -8.7080 -8.7080 -7.3221 -7.3221 4.4657 4.4657 5.2775 5.2775 5.8791 5.8791 7.2227 7.2227 7.8728 7.8728 8.8960 8.8960 10.2299 10.2299 10.4897 10.4897 10.9359 10.9359 12.5138 12.5138 12.7853 12.7853 18.0583 18.0583 20.5379 20.5379 k = 0.1115-0.1718-0.3351 ( 3843 PWs) bands (ev): -81.0280 -81.0280 -46.6986 -46.6986 -44.9748 -44.9748 -44.9508 -44.9508 -33.7336 -33.7336 -8.6780 -8.6780 -7.3186 -7.3186 4.5017 4.5017 5.2524 5.2524 5.8797 5.8797 7.1364 7.1364 7.8150 7.8150 8.8747 8.8747 10.2378 10.2378 10.5175 10.5175 10.9384 10.9384 12.5070 12.5070 12.7647 12.7647 18.1322 18.1322 20.6392 20.6392 k = 0.1159-0.1786-0.3485 ( 3843 PWs) bands (ev): -81.0278 -81.0278 -46.6993 -46.6993 -44.9762 -44.9762 -44.9509 -44.9509 -33.7327 -33.7327 -8.6473 -8.6473 -7.3152 -7.3152 4.5386 4.5386 5.2281 5.2281 5.8784 5.8784 7.0522 7.0522 7.7573 7.7573 8.8497 8.8497 10.2450 10.2450 10.5444 10.5444 10.9402 10.9402 12.5037 12.5037 12.7441 12.7441 18.2062 18.2062 20.7409 20.7409 k = 0.1204-0.1855-0.3619 ( 3841 PWs) bands (ev): -81.0275 -81.0275 -46.7000 -46.7000 -44.9777 -44.9777 -44.9510 -44.9510 -33.7319 -33.7319 -8.6158 -8.6158 -7.3117 -7.3117 4.5765 4.5765 5.2047 5.2047 5.8750 5.8750 6.9707 6.9707 7.6999 7.6999 8.8209 8.8209 10.2516 10.2516 10.5703 10.5703 10.9413 10.9413 12.5038 12.5038 12.7235 12.7235 18.2801 18.2801 20.8427 20.8427 k = 0.1249-0.1924-0.3753 ( 3837 PWs) bands (ev): -81.0273 -81.0273 -46.7008 -46.7008 -44.9792 -44.9792 -44.9511 -44.9511 -33.7310 -33.7310 -8.5836 -8.5836 -7.3083 -7.3083 4.6152 4.6152 5.1822 5.1822 5.8690 5.8690 6.8924 6.8924 7.6428 7.6428 8.7885 8.7885 10.2578 10.2578 10.5951 10.5951 10.9417 10.9417 12.5072 12.5072 12.7030 12.7030 18.3538 18.3538 20.9444 20.9444 k = 0.1293-0.1992-0.3887 ( 3835 PWs) bands (ev): -81.0271 -81.0271 -46.7015 -46.7015 -44.9807 -44.9807 -44.9512 -44.9512 -33.7301 -33.7301 -8.5507 -8.5507 -7.3049 -7.3049 4.6546 4.6546 5.1607 5.1607 5.8600 5.8600 6.8178 6.8178 7.5861 7.5861 8.7526 8.7526 10.2635 10.2635 10.6189 10.6189 10.9413 10.9413 12.5136 12.5136 12.6829 12.6829 18.4271 18.4271 21.0458 21.0458 k = 0.1338-0.2061-0.4021 ( 3837 PWs) bands (ev): -81.0269 -81.0269 -46.7022 -46.7022 -44.9822 -44.9822 -44.9513 -44.9513 -33.7292 -33.7292 -8.5172 -8.5172 -7.3016 -7.3016 4.6947 4.6947 5.1403 5.1403 5.8475 5.8475 6.7475 6.7475 7.5300 7.5300 8.7133 8.7133 10.2688 10.2688 10.6417 10.6417 10.9400 10.9400 12.5229 12.5229 12.6630 12.6630 18.4999 18.4999 21.1465 21.1465 k = 0.1382-0.2130-0.4155 ( 3829 PWs) bands (ev): -81.0267 -81.0267 -46.7030 -46.7030 -44.9837 -44.9837 -44.9514 -44.9514 -33.7283 -33.7283 -8.4832 -8.4832 -7.2983 -7.2983 4.7352 4.7352 5.1210 5.1210 5.8312 5.8312 6.6820 6.6820 7.4745 7.4745 8.6709 8.6709 10.2738 10.2738 10.6633 10.6633 10.9378 10.9378 12.5347 12.5347 12.6438 12.6438 18.5720 18.5720 21.2463 21.2463 k = 0.1427-0.2199-0.4289 ( 3827 PWs) bands (ev): -81.0264 -81.0264 -46.7037 -46.7037 -44.9852 -44.9852 -44.9515 -44.9515 -33.7274 -33.7274 -8.4486 -8.4486 -7.2951 -7.2951 4.7760 4.7760 5.1028 5.1028 5.8107 5.8107 6.6218 6.6218 7.4198 7.4198 8.6256 8.6256 10.2785 10.2785 10.6838 10.6838 10.9349 10.9349 12.5487 12.5487 12.6253 12.6253 18.6433 18.6433 21.3450 21.3450 k = 0.1472-0.2267-0.4423 ( 3829 PWs) bands (ev): -81.0262 -81.0262 -46.7045 -46.7045 -44.9867 -44.9867 -44.9516 -44.9516 -33.7265 -33.7265 -8.4137 -8.4137 -7.2920 -7.2920 4.8170 4.8170 5.0858 5.0858 5.7858 5.7858 6.5672 6.5672 7.3659 7.3659 8.5776 8.5776 10.2830 10.2830 10.7032 10.7032 10.9311 10.9311 12.5638 12.5638 12.6083 12.6083 18.7138 18.7138 21.4422 21.4422 k = 0.1516-0.2336-0.4557 ( 3829 PWs) bands (ev): -81.0260 -81.0260 -46.7052 -46.7052 -44.9882 -44.9882 -44.9518 -44.9518 -33.7256 -33.7256 -8.3783 -8.3783 -7.2890 -7.2890 4.8578 4.8578 5.0699 5.0699 5.7567 5.7567 6.5185 6.5185 7.3130 7.3130 8.5271 8.5271 10.2874 10.2874 10.7213 10.7213 10.9265 10.9265 12.5750 12.5750 12.5977 12.5977 18.7833 18.7833 21.5377 21.5377 k = 0.1561-0.2405-0.4691 ( 3829 PWs) bands (ev): -81.0257 -81.0257 -46.7060 -46.7060 -44.9897 -44.9897 -44.9519 -44.9519 -33.7247 -33.7247 -8.3427 -8.3427 -7.2861 -7.2861 4.8982 4.8982 5.0551 5.0551 5.7238 5.7238 6.4754 6.4754 7.2611 7.2611 8.4743 8.4743 10.2917 10.2917 10.7382 10.7382 10.9212 10.9212 12.5674 12.5674 12.6082 12.6082 18.8518 18.8518 21.6309 21.6309 k = 0.1605-0.2473-0.4825 ( 3831 PWs) bands (ev): -81.0255 -81.0255 -46.7068 -46.7068 -44.9912 -44.9912 -44.9520 -44.9520 -33.7238 -33.7238 -8.3068 -8.3068 -7.2834 -7.2834 4.9377 4.9377 5.0415 5.0415 5.6878 5.6878 6.4378 6.4378 7.2104 7.2104 8.4196 8.4196 10.2959 10.2959 10.7536 10.7536 10.9154 10.9154 12.5530 12.5530 12.6274 12.6274 18.9191 18.9191 21.7217 21.7217 k = 0.1650-0.2542-0.4959 ( 3829 PWs) bands (ev): -81.0253 -81.0253 -46.7075 -46.7075 -44.9926 -44.9926 -44.9522 -44.9522 -33.7229 -33.7229 -8.2707 -8.2707 -7.2808 -7.2808 4.9757 4.9757 5.0291 5.0291 5.6499 5.6499 6.4049 6.4049 7.1611 7.1611 8.3631 8.3631 10.3001 10.3001 10.7674 10.7674 10.9092 10.9092 12.5385 12.5385 12.6484 12.6484 18.9853 18.9853 21.8094 21.8094 k = 0.1695-0.2611-0.5093 ( 3827 PWs) bands (ev): -81.0251 -81.0251 -46.7082 -46.7082 -44.9941 -44.9941 -44.9524 -44.9524 -33.7221 -33.7221 -8.2345 -8.2345 -7.2783 -7.2783 5.0109 5.0109 5.0181 5.0181 5.6115 5.6115 6.3762 6.3762 7.1131 7.1131 8.3051 8.3051 10.3043 10.3043 10.7792 10.7792 10.9032 10.9032 12.5248 12.5248 12.6703 12.6703 19.0503 19.0503 21.8937 21.8937 k = 0.1739-0.2680-0.5227 ( 3833 PWs) bands (ev): -81.0249 -81.0249 -46.7090 -46.7090 -44.9955 -44.9955 -44.9525 -44.9525 -33.7212 -33.7212 -8.1982 -8.1982 -7.2760 -7.2760 5.0072 5.0072 5.0435 5.0435 5.5746 5.5746 6.3510 6.3510 7.0667 7.0667 8.2457 8.2457 10.3086 10.3086 10.7887 10.7887 10.8976 10.8976 12.5119 12.5119 12.6924 12.6924 19.1142 19.1142 21.9739 21.9739 k = 0.1784-0.2748-0.5361 ( 3831 PWs) bands (ev): -81.0246 -81.0246 -46.7097 -46.7097 -44.9969 -44.9969 -44.9527 -44.9527 -33.7203 -33.7203 -8.1619 -8.1619 -7.2739 -7.2739 4.9979 4.9979 5.0699 5.0699 5.5416 5.5416 6.3286 6.3286 7.0220 7.0220 8.1852 8.1852 10.3129 10.3129 10.7950 10.7950 10.8934 10.8934 12.5000 12.5000 12.7145 12.7145 19.1767 19.1767 22.0495 22.0495 k = 0.1828-0.2817-0.5495 ( 3827 PWs) bands (ev): -81.0244 -81.0244 -46.7104 -46.7104 -44.9982 -44.9982 -44.9529 -44.9529 -33.7195 -33.7195 -8.1258 -8.1258 -7.2719 -7.2719 4.9895 4.9895 5.0887 5.0887 5.5154 5.5154 6.3084 6.3084 6.9790 6.9790 8.1238 8.1238 10.3174 10.3174 10.7976 10.7976 10.8914 10.8914 12.4891 12.4891 12.7364 12.7364 19.2381 19.2381 22.1199 22.1199 k = 0.1873-0.2886-0.5629 ( 3829 PWs) bands (ev): -81.0242 -81.0242 -46.7111 -46.7111 -44.9996 -44.9996 -44.9531 -44.9531 -33.7186 -33.7186 -8.0897 -8.0897 -7.2702 -7.2702 4.9820 4.9820 5.0972 5.0972 5.4990 5.4990 6.2900 6.2900 6.9380 6.9380 8.0616 8.0616 10.3219 10.3219 10.7961 10.7961 10.8918 10.8918 12.4792 12.4792 12.7576 12.7576 19.2983 19.2983 22.1841 22.1841 k = 0.1918-0.2954-0.5763 ( 3829 PWs) bands (ev): -81.0240 -81.0240 -46.7118 -46.7118 -45.0009 -45.0009 -44.9533 -44.9533 -33.7178 -33.7178 -8.0539 -8.0539 -7.2686 -7.2686 4.9754 4.9754 5.0939 5.0939 5.4942 5.4942 6.2729 6.2729 6.8991 6.8991 7.9989 7.9989 10.3264 10.3264 10.7909 10.7909 10.8946 10.8946 12.4704 12.4704 12.7781 12.7781 19.3573 19.3573 22.2415 22.2415 k = 0.1962-0.3023-0.5897 ( 3829 PWs) bands (ev): -81.0238 -81.0238 -46.7125 -46.7125 -45.0022 -45.0022 -44.9535 -44.9535 -33.7170 -33.7170 -8.0183 -8.0183 -7.2673 -7.2673 4.9694 4.9694 5.0793 5.0793 5.5006 5.5006 6.2571 6.2571 6.8624 6.8624 7.9357 7.9357 10.3311 10.3311 10.7829 10.7829 10.8989 10.8989 12.4627 12.4627 12.7975 12.7975 19.4151 19.4151 22.2911 22.2911 k = 0.2007-0.3092-0.6031 ( 3823 PWs) bands (ev): -81.0236 -81.0236 -46.7132 -46.7132 -45.0034 -45.0034 -44.9537 -44.9537 -33.7162 -33.7162 -7.9831 -7.9831 -7.2662 -7.2662 4.9641 4.9641 5.0559 5.0559 5.5159 5.5159 6.2423 6.2423 6.8280 6.8280 7.8722 7.8722 10.3357 10.3357 10.7728 10.7728 10.9043 10.9043 12.4560 12.4560 12.8157 12.8157 19.4718 19.4718 22.3323 22.3323 k = 0.2051-0.3160-0.6165 ( 3823 PWs) bands (ev): -81.0234 -81.0234 -46.7138 -46.7138 -45.0046 -45.0046 -44.9539 -44.9539 -33.7154 -33.7154 -7.9483 -7.9483 -7.2653 -7.2653 4.9594 4.9594 5.0266 5.0266 5.5371 5.5371 6.2287 6.2287 6.7960 6.7960 7.8086 7.8086 10.3402 10.3402 10.7615 10.7615 10.9099 10.9099 12.4502 12.4502 12.8324 12.8324 19.5274 19.5274 22.3643 22.3643 k = 0.2096-0.3229-0.6299 ( 3825 PWs) bands (ev): -81.0232 -81.0232 -46.7145 -46.7145 -45.0057 -45.0057 -44.9541 -44.9541 -33.7147 -33.7147 -7.9140 -7.9140 -7.2646 -7.2646 4.9551 4.9551 4.9940 4.9940 5.5613 5.5613 6.2165 6.2165 6.7667 6.7667 7.7450 7.7450 10.3446 10.3446 10.7495 10.7495 10.9156 10.9156 12.4454 12.4454 12.8476 12.8476 19.5821 19.5821 22.3866 22.3866 k = 0.2140-0.3298-0.6433 ( 3825 PWs) bands (ev): -81.0230 -81.0230 -46.7151 -46.7151 -45.0068 -45.0068 -44.9543 -44.9543 -33.7139 -33.7139 -7.8802 -7.8802 -7.2642 -7.2642 4.9507 4.9507 4.9604 4.9604 5.5862 5.5862 6.2061 6.2061 6.7401 6.7401 7.6815 7.6815 10.3486 10.3486 10.7374 10.7374 10.9210 10.9210 12.4416 12.4416 12.8611 12.8611 19.6358 19.6358 22.3988 22.3988 k = 0.2185-0.3367-0.6567 ( 3821 PWs) bands (ev): -81.0228 -81.0228 -46.7157 -46.7157 -45.0079 -45.0079 -44.9545 -44.9545 -33.7132 -33.7132 -7.8471 -7.8471 -7.2639 -7.2639 4.9254 4.9254 4.9480 4.9480 5.6099 5.6099 6.1981 6.1981 6.7163 6.7163 7.6183 7.6183 10.3523 10.3523 10.7255 10.7255 10.9260 10.9260 12.4385 12.4385 12.8727 12.8727 19.6886 19.6886 22.4011 22.4011 k = 0.2230-0.3435-0.6701 ( 3823 PWs) bands (ev): -81.0227 -81.0227 -46.7163 -46.7163 -45.0089 -45.0089 -44.9547 -44.9547 -33.7125 -33.7125 -7.8145 -7.8145 -7.2640 -7.2640 4.8924 4.8924 4.9443 4.9443 5.6307 5.6307 6.1930 6.1930 6.6955 6.6955 7.5553 7.5553 10.3553 10.3553 10.7142 10.7142 10.9306 10.9306 12.4364 12.4364 12.8824 12.8824 19.7407 19.7407 22.3938 22.3938 k = 0.2274-0.3504-0.6836 ( 3821 PWs) bands (ev): -81.0225 -81.0225 -46.7168 -46.7168 -45.0099 -45.0099 -44.9550 -44.9550 -33.7119 -33.7119 -7.7828 -7.7828 -7.2643 -7.2643 4.8609 4.8609 4.9409 4.9409 5.6473 5.6473 6.1918 6.1918 6.6777 6.6777 7.4928 7.4928 10.3575 10.3575 10.7039 10.7039 10.9347 10.9347 12.4350 12.4350 12.8901 12.8901 19.7920 19.7920 22.3775 22.3775 k = 0.2319-0.3573-0.6970 ( 3821 PWs) bands (ev): -81.0223 -81.0223 -46.7173 -46.7173 -45.0108 -45.0108 -44.9552 -44.9552 -33.7112 -33.7112 -7.7518 -7.7518 -7.2648 -7.2648 4.8313 4.8313 4.9374 4.9374 5.6584 5.6584 6.1950 6.1950 6.6631 6.6631 7.4309 7.4309 10.3587 10.3587 10.6949 10.6949 10.9382 10.9382 12.4343 12.4343 12.8957 12.8957 19.8426 19.8426 22.3531 22.3531 k = 0.2363-0.3641-0.7104 ( 3821 PWs) bands (ev): -81.0222 -81.0222 -46.7179 -46.7179 -45.0117 -45.0117 -44.9554 -44.9554 -33.7106 -33.7106 -7.7216 -7.7216 -7.2655 -7.2655 4.8042 4.8042 4.9339 4.9339 5.6633 5.6633 6.2031 6.2031 6.6516 6.6516 7.3696 7.3696 10.3587 10.3587 10.6876 10.6876 10.9411 10.9411 12.4344 12.4344 12.8992 12.8992 19.8927 19.8927 22.3216 22.3216 k = 0.2408-0.3710-0.7238 ( 3817 PWs) bands (ev): -81.0220 -81.0220 -46.7183 -46.7183 -45.0125 -45.0125 -44.9557 -44.9557 -33.7100 -33.7100 -7.6923 -7.6923 -7.2666 -7.2666 4.7798 4.7798 4.9302 4.9302 5.6616 5.6616 6.2162 6.2162 6.6433 6.6433 7.3090 7.3090 10.3573 10.3573 10.6820 10.6820 10.9435 10.9435 12.4351 12.4351 12.9005 12.9005 19.9424 19.9424 22.2840 22.2840 k = 0.2453-0.3779-0.7372 ( 3821 PWs) bands (ev): -81.0219 -81.0219 -46.7188 -46.7188 -45.0133 -45.0133 -44.9559 -44.9559 -33.7095 -33.7095 -7.6640 -7.6640 -7.2678 -7.2678 4.7582 4.7582 4.9262 4.9262 5.6534 5.6534 6.2339 6.2339 6.6382 6.6382 7.2493 7.2493 10.3545 10.3545 10.6785 10.6785 10.9453 10.9453 12.4364 12.4364 12.8997 12.8997 19.9917 19.9917 22.2411 22.2411 k = 0.2497-0.3847-0.7506 ( 3819 PWs) bands (ev): -81.0218 -81.0218 -46.7192 -46.7192 -45.0140 -45.0140 -44.9561 -44.9561 -33.7090 -33.7090 -7.6367 -7.6367 -7.2693 -7.2693 4.7397 4.7397 4.9220 4.9220 5.6391 5.6391 6.2558 6.2558 6.6362 6.6362 7.1906 7.1906 10.3503 10.3503 10.6771 10.6771 10.9466 10.9466 12.4383 12.4383 12.8967 12.8967 20.0406 20.0406 22.1937 22.1937 k = 0.2542-0.3916-0.7640 ( 3817 PWs) bands (ev): -81.0216 -81.0216 -46.7197 -46.7197 -45.0147 -45.0147 -44.9564 -44.9564 -33.7085 -33.7085 -7.6104 -7.6104 -7.2711 -7.2711 4.7244 4.7244 4.9175 4.9175 5.6195 5.6195 6.2810 6.2810 6.6373 6.6373 7.1330 7.1330 10.3447 10.3447 10.6777 10.6777 10.9473 10.9473 12.4407 12.4407 12.8917 12.8917 20.0894 20.0894 22.1427 22.1427 k = 0.2586-0.3985-0.7774 ( 3819 PWs) bands (ev): -81.0215 -81.0215 -46.7200 -46.7200 -45.0153 -45.0153 -44.9566 -44.9566 -33.7080 -33.7080 -7.5851 -7.5851 -7.2731 -7.2731 4.7124 4.7124 4.9127 4.9127 5.5953 5.5953 6.3086 6.3086 6.6412 6.6412 7.0768 7.0768 10.3378 10.3378 10.6803 10.6803 10.9474 10.9474 12.4437 12.4437 12.8846 12.8846 20.1381 20.1381 22.0885 22.0885 k = 0.2631-0.4054-0.7908 ( 3819 PWs) bands (ev): -81.0214 -81.0214 -46.7204 -46.7204 -45.0159 -45.0159 -44.9568 -44.9568 -33.7075 -33.7075 -7.5610 -7.5610 -7.2753 -7.2753 4.7037 4.7037 4.9076 4.9076 5.5671 5.5671 6.3380 6.3380 6.6476 6.6476 7.0223 7.0223 10.3300 10.3300 10.6847 10.6847 10.9471 10.9471 12.4472 12.4472 12.8755 12.8755 20.1867 20.1867 22.0317 22.0317 k = 0.2676-0.4122-0.8042 ( 3821 PWs) bands (ev): -81.0213 -81.0213 -46.7208 -46.7208 -45.0164 -45.0164 -44.9570 -44.9570 -33.7071 -33.7071 -7.5380 -7.5380 -7.2777 -7.2777 4.6985 4.6985 4.9022 4.9022 5.5355 5.5355 6.3685 6.3685 6.6559 6.6559 6.9701 6.9701 10.3213 10.3213 10.6906 10.6906 10.9462 10.9462 12.4512 12.4512 12.8646 12.8646 20.2354 20.2354 21.9726 21.9726 k = 0.2720-0.4191-0.8176 ( 3823 PWs) bands (ev): -81.0212 -81.0212 -46.7211 -46.7211 -45.0169 -45.0169 -44.9572 -44.9572 -33.7068 -33.7068 -7.5161 -7.5161 -7.2804 -7.2804 4.6967 4.6967 4.8966 4.8966 5.5011 5.5011 6.3996 6.3996 6.6650 6.6650 6.9212 6.9212 10.3121 10.3121 10.6978 10.6978 10.9448 10.9448 12.4557 12.4557 12.8519 12.8519 20.2843 20.2843 21.9115 21.9115 k = 0.2765-0.4260-0.8310 ( 3827 PWs) bands (ev): -81.0211 -81.0211 -46.7214 -46.7214 -45.0173 -45.0173 -44.9575 -44.9575 -33.7064 -33.7064 -7.4955 -7.4955 -7.2833 -7.2833 4.6983 4.6983 4.8907 4.8907 5.4644 5.4644 6.4308 6.4308 6.6727 6.6727 6.8778 6.8778 10.3025 10.3025 10.7060 10.7060 10.9429 10.9429 12.4606 12.4606 12.8375 12.8375 20.3334 20.3334 21.8486 21.8486 k = 0.2809-0.4328-0.8444 ( 3821 PWs) bands (ev): -81.0210 -81.0210 -46.7216 -46.7216 -45.0177 -45.0177 -44.9576 -44.9576 -33.7061 -33.7061 -7.4760 -7.4760 -7.2864 -7.2864 4.7033 4.7033 4.8847 4.8847 5.4257 5.4257 6.4617 6.4617 6.6743 6.6743 6.8444 6.8444 10.2929 10.2929 10.7150 10.7150 10.9406 10.9406 12.4661 12.4661 12.8217 12.8217 20.3828 20.3828 21.7840 21.7840 k = 0.2854-0.4397-0.8578 ( 3823 PWs) bands (ev): -81.0210 -81.0210 -46.7219 -46.7219 -45.0181 -45.0181 -44.9578 -44.9578 -33.7058 -33.7058 -7.4578 -7.4578 -7.2898 -7.2898 4.7117 4.7117 4.8785 4.8785 5.3855 5.3855 6.4920 6.4920 6.6634 6.6634 6.8274 6.8274 10.2833 10.2833 10.7245 10.7245 10.9378 10.9378 12.4720 12.4720 12.8045 12.8045 20.4326 20.4326 21.7180 21.7180 k = 0.2899-0.4466-0.8712 ( 3821 PWs) bands (ev): -81.0209 -81.0209 -46.7221 -46.7221 -45.0184 -45.0184 -44.9580 -44.9580 -33.7055 -33.7055 -7.4407 -7.4407 -7.2933 -7.2933 4.7233 4.7233 4.8723 4.8723 5.3440 5.3440 6.5215 6.5215 6.6376 6.6376 6.8290 6.8290 10.2740 10.2740 10.7343 10.7343 10.9346 10.9346 12.4783 12.4783 12.7862 12.7862 20.4828 20.4828 21.6505 21.6505 k = 0.2943-0.4535-0.8846 ( 3819 PWs) bands (ev): -81.0208 -81.0208 -46.7223 -46.7223 -45.0186 -45.0186 -44.9582 -44.9582 -33.7053 -33.7053 -7.4249 -7.4249 -7.2970 -7.2970 4.7379 4.7379 4.8661 4.8661 5.3018 5.3018 6.5498 6.5498 6.6023 6.6023 6.8440 6.8440 10.2651 10.2651 10.7442 10.7442 10.9310 10.9310 12.4852 12.4852 12.7669 12.7669 20.5336 20.5336 21.5816 21.5816 k = 0.2988-0.4603-0.8980 ( 3814 PWs) bands (ev): -81.0208 -81.0208 -46.7224 -46.7224 -45.0188 -45.0188 -44.9583 -44.9583 -33.7051 -33.7051 -7.4103 -7.4103 -7.3008 -7.3008 4.7553 4.7553 4.8600 4.8600 5.2593 5.2593 6.5593 6.5593 6.5800 6.5800 6.8670 6.8670 10.2566 10.2566 10.7540 10.7540 10.9270 10.9270 12.4926 12.4926 12.7468 12.7468 20.5850 20.5850 21.5114 21.5114 k = 0.3032-0.4672-0.9114 ( 3812 PWs) bands (ev): -81.0207 -81.0207 -46.7226 -46.7226 -45.0190 -45.0190 -44.9585 -44.9585 -33.7049 -33.7049 -7.3970 -7.3970 -7.3049 -7.3049 4.7749 4.7749 4.8540 4.8540 5.2171 5.2171 6.5191 6.5191 6.6046 6.6046 6.8949 6.8949 10.2487 10.2487 10.7634 10.7634 10.9226 10.9226 12.5004 12.5004 12.7262 12.7262 20.6372 20.6372 21.4399 21.4399 k = 0.3077-0.4741-0.9248 ( 3812 PWs) bands (ev): -81.0207 -81.0207 -46.7227 -46.7227 -45.0192 -45.0192 -44.9586 -44.9586 -33.7047 -33.7047 -7.3848 -7.3848 -7.3091 -7.3091 4.7957 4.7957 4.8484 4.8484 5.1763 5.1763 6.4772 6.4772 6.6292 6.6292 6.9260 6.9260 10.2415 10.2415 10.7723 10.7723 10.9180 10.9180 12.5088 12.5088 12.7052 12.7052 20.6900 20.6900 21.3671 21.3671 k = 0.3122-0.4809-0.9382 ( 3814 PWs) bands (ev): -81.0207 -81.0207 -46.7228 -46.7228 -45.0193 -45.0193 -44.9587 -44.9587 -33.7046 -33.7046 -7.3738 -7.3738 -7.3134 -7.3134 4.8157 4.8157 4.8435 4.8435 5.1385 5.1385 6.4358 6.4358 6.6525 6.6525 6.9596 6.9596 10.2349 10.2349 10.7804 10.7804 10.9133 10.9133 12.5176 12.5176 12.6842 12.6842 20.7437 20.7437 21.2929 21.2929 k = 0.3166-0.4878-0.9516 ( 3818 PWs) bands (ev): -81.0206 -81.0206 -46.7229 -46.7229 -45.0194 -45.0194 -44.9588 -44.9588 -33.7045 -33.7045 -7.3641 -7.3641 -7.3178 -7.3178 4.8287 4.8287 4.8427 4.8427 5.1068 5.1068 6.3953 6.3953 6.6742 6.6742 6.9950 6.9950 10.2290 10.2290 10.7874 10.7874 10.9084 10.9084 12.5270 12.5270 12.6633 12.6633 20.7982 20.7982 21.2175 21.2175 k = 0.3211-0.4947-0.9650 ( 3818 PWs) bands (ev): -81.0206 -81.0206 -46.7230 -46.7230 -45.0195 -45.0195 -44.9588 -44.9588 -33.7045 -33.7045 -7.3555 -7.3555 -7.3223 -7.3223 4.8278 4.8278 4.8479 4.8479 5.0863 5.0863 6.3560 6.3560 6.6944 6.6944 7.0318 7.0318 10.2237 10.2237 10.7932 10.7932 10.9037 10.9037 12.5369 12.5369 12.6429 12.6429 20.8536 20.8536 21.1409 21.1409 k = 0.3255-0.5015-0.9784 ( 3820 PWs) bands (ev): -81.0206 -81.0206 -46.7230 -46.7230 -45.0195 -45.0195 -44.9589 -44.9589 -33.7044 -33.7044 -7.3482 -7.3482 -7.3267 -7.3267 4.8227 4.8227 4.8436 4.8436 5.0829 5.0829 6.3180 6.3180 6.7130 6.7130 7.0696 7.0696 10.2191 10.2191 10.7973 10.7973 10.8994 10.8994 12.5471 12.5471 12.6233 12.6233 20.9100 20.9100 21.0630 21.0630 k = 0.3300-0.5084-0.9918 ( 3820 PWs) bands (ev): -81.0206 -81.0206 -46.7230 -46.7230 -45.0196 -45.0196 -44.9589 -44.9589 -33.7044 -33.7044 -7.3427 -7.3427 -7.3306 -7.3306 4.8131 4.8131 4.8284 4.8284 5.0982 5.0982 6.2816 6.2816 6.7300 6.7300 7.1081 7.1081 10.2151 10.2151 10.7995 10.7995 10.8955 10.8955 12.5575 12.5575 12.6050 12.6050 20.9667 20.9667 20.9847 20.9847 k = 0.3344-0.5153-1.0052 ( 3824 PWs) bands (ev): -81.0206 -81.0206 -46.7230 -46.7230 -45.0196 -45.0196 -44.9589 -44.9589 -33.7044 -33.7044 -7.3411 -7.3411 -7.3316 -7.3316 4.7868 4.7868 4.8186 4.8186 5.1282 5.1282 6.2467 6.2467 6.7454 6.7454 7.1471 7.1471 10.2117 10.2117 10.7996 10.7996 10.8924 10.8924 12.5664 12.5664 12.5899 12.5899 20.9034 20.9034 21.0262 21.0262 k = 0.3389-0.5222-1.0186 ( 3822 PWs) bands (ev): -81.0206 -81.0206 -46.7230 -46.7230 -45.0196 -45.0196 -44.9589 -44.9589 -33.7044 -33.7044 -7.3442 -7.3442 -7.3290 -7.3290 4.7493 4.7493 4.8133 4.8133 5.1683 5.1683 6.2136 6.2136 6.7592 6.7592 7.1862 7.1862 10.2087 10.2087 10.7973 10.7973 10.8902 10.8902 12.5640 12.5640 12.5880 12.5880 20.8220 20.8220 21.0857 21.0857 k = 0.3434-0.5290-1.0320 ( 3818 PWs) bands (ev): -81.0206 -81.0206 -46.7230 -46.7230 -45.0195 -45.0195 -44.9589 -44.9589 -33.7044 -33.7044 -7.3488 -7.3488 -7.3260 -7.3260 4.7074 4.7074 4.8089 4.8089 5.2152 5.2152 6.1823 6.1823 6.7714 6.7714 7.2252 7.2252 10.2060 10.2060 10.7928 10.7928 10.8887 10.8887 12.5517 12.5517 12.5982 12.5982 20.7395 20.7395 21.1464 21.1464 k = 0.6566-0.3810-0.9416 ( 3818 PWs) bands (ev): -81.0206 -81.0206 -46.7230 -46.7230 -45.0195 -45.0195 -44.9589 -44.9589 -33.7044 -33.7044 -7.3488 -7.3488 -7.3260 -7.3260 4.7074 4.7074 4.8089 4.8089 5.2152 5.2152 6.1823 6.1823 6.7714 6.7714 7.2252 7.2252 10.2060 10.2060 10.7928 10.7928 10.8887 10.8887 12.5517 12.5517 12.5982 12.5982 20.7395 20.7395 21.1464 21.1464 k = 0.6522-0.3659-0.9416 ( 3818 PWs) bands (ev): -81.0206 -81.0206 -46.7229 -46.7229 -45.0195 -45.0195 -44.9588 -44.9588 -33.7045 -33.7045 -7.3538 -7.3538 -7.3236 -7.3236 4.6631 4.6631 4.8049 4.8049 5.2676 5.2676 6.1528 6.1528 6.7821 6.7821 7.2639 7.2639 10.2036 10.2036 10.7862 10.7862 10.8878 10.8878 12.5393 12.5393 12.6109 12.6109 20.6556 20.6556 21.2085 21.2085 k = 0.6477-0.3508-0.9416 ( 3816 PWs) bands (ev): -81.0207 -81.0207 -46.7229 -46.7229 -45.0194 -45.0194 -44.9587 -44.9587 -33.7046 -33.7046 -7.3589 -7.3589 -7.3219 -7.3219 4.6177 4.6177 4.8012 4.8012 5.3241 5.3241 6.1253 6.1253 6.7914 6.7914 7.3019 7.3019 10.2013 10.2013 10.7779 10.7779 10.8872 10.8872 12.5286 12.5286 12.6244 12.6244 20.5707 20.5707 21.2718 21.2718 k = 0.6432-0.3356-0.9416 ( 3816 PWs) bands (ev): -81.0207 -81.0207 -46.7228 -46.7228 -45.0194 -45.0194 -44.9586 -44.9586 -33.7046 -33.7046 -7.3641 -7.3641 -7.3209 -7.3209 4.5718 4.5718 4.7977 4.7977 5.3841 5.3841 6.0999 6.0999 6.7992 6.7992 7.3391 7.3391 10.1989 10.1989 10.7681 10.7681 10.8867 10.8867 12.5200 12.5200 12.6385 12.6385 20.4850 20.4850 21.3362 21.3362 k = 0.6387-0.3205-0.9416 ( 3820 PWs) bands (ev): -81.0207 -81.0207 -46.7227 -46.7227 -45.0193 -45.0193 -44.9585 -44.9585 -33.7048 -33.7048 -7.3693 -7.3693 -7.3208 -7.3208 4.5259 4.5259 4.7942 4.7942 5.4473 5.4473 6.0765 6.0765 6.8057 6.8057 7.3751 7.3751 10.1964 10.1964 10.7571 10.7571 10.8862 10.8862 12.5137 12.5137 12.6531 12.6531 20.3985 20.3985 21.4019 21.4019 k = 0.6343-0.3054-0.9416 ( 3820 PWs) bands (ev): -81.0207 -81.0207 -46.7226 -46.7226 -45.0193 -45.0193 -44.9583 -44.9583 -33.7049 -33.7049 -7.3746 -7.3746 -7.3213 -7.3213 4.4801 4.4801 4.7909 4.7909 5.5132 5.5132 6.0554 6.0554 6.8109 6.8109 7.4096 7.4096 10.1936 10.1936 10.7453 10.7453 10.8854 10.8854 12.5100 12.5100 12.6682 12.6682 20.3112 20.3112 21.4687 21.4687 k = 0.6298-0.2903-0.9416 ( 3816 PWs) bands (ev): -81.0208 -81.0208 -46.7225 -46.7225 -45.0192 -45.0192 -44.9581 -44.9581 -33.7050 -33.7050 -7.3798 -7.3798 -7.3224 -7.3224 4.4348 4.4348 4.7875 4.7875 5.5815 5.5815 6.0365 6.0365 6.8149 6.8149 7.4426 7.4426 10.1903 10.1903 10.7327 10.7327 10.8843 10.8843 12.5089 12.5089 12.6836 12.6836 20.2234 20.2234 21.5366 21.5366 k = 0.6253-0.2752-0.9416 ( 3816 PWs) bands (ev): -81.0208 -81.0208 -46.7224 -46.7224 -45.0191 -45.0191 -44.9579 -44.9579 -33.7051 -33.7051 -7.3851 -7.3851 -7.3242 -7.3242 4.3901 4.3901 4.7841 4.7841 5.6521 5.6521 6.0198 6.0198 6.8178 6.8178 7.4736 7.4736 10.1862 10.1862 10.7196 10.7196 10.8829 10.8829 12.5106 12.5106 12.6993 12.6993 20.1351 20.1351 21.6057 21.6057 k = 0.6208-0.2601-0.9416 ( 3816 PWs) bands (ev): -81.0208 -81.0208 -46.7223 -46.7223 -45.0190 -45.0190 -44.9577 -44.9577 -33.7053 -33.7053 -7.3903 -7.3903 -7.3265 -7.3265 4.3461 4.3461 4.7807 4.7807 5.7247 5.7247 6.0055 6.0055 6.8197 6.8197 7.5027 7.5027 10.1813 10.1813 10.7061 10.7061 10.8813 10.8813 12.5151 12.5151 12.7152 12.7152 20.0465 20.0465 21.6759 21.6759 k = 0.6164-0.2450-0.9416 ( 3820 PWs) bands (ev): -81.0209 -81.0209 -46.7222 -46.7222 -45.0190 -45.0190 -44.9575 -44.9575 -33.7055 -33.7055 -7.3954 -7.3954 -7.3292 -7.3292 4.3029 4.3029 4.7771 4.7771 5.7989 5.7989 5.9935 5.9935 6.8206 6.8206 7.5295 7.5295 10.1753 10.1753 10.6925 10.6925 10.8795 10.8795 12.5225 12.5225 12.7313 12.7313 19.9577 19.9577 21.7471 21.7471 k = 0.6119-0.2298-0.9416 ( 3814 PWs) bands (ev): -81.0209 -81.0209 -46.7220 -46.7220 -45.0189 -45.0189 -44.9572 -44.9572 -33.7056 -33.7056 -7.4005 -7.4005 -7.3324 -7.3324 4.2607 4.2607 4.7734 4.7734 5.8745 5.8745 5.9839 5.9839 6.8208 6.8208 7.5539 7.5539 10.1682 10.1682 10.6789 10.6789 10.8775 10.8775 12.5327 12.5327 12.7475 12.7475 19.8688 19.8688 21.8193 21.8193 k = 0.6074-0.2147-0.9416 ( 3816 PWs) bands (ev): -81.0210 -81.0210 -46.7219 -46.7219 -45.0188 -45.0188 -44.9570 -44.9570 -33.7058 -33.7058 -7.4056 -7.4056 -7.3360 -7.3360 4.2196 4.2196 4.7695 4.7695 5.9501 5.9501 5.9780 5.9780 6.8203 6.8203 7.5758 7.5758 10.1596 10.1596 10.6654 10.6654 10.8754 10.8754 12.5456 12.5456 12.7637 12.7637 19.7801 19.7801 21.8923 21.8923 k = 0.6029-0.1996-0.9416 ( 3812 PWs) bands (ev): -81.0210 -81.0210 -46.7218 -46.7218 -45.0188 -45.0188 -44.9567 -44.9567 -33.7060 -33.7060 -7.4105 -7.4105 -7.3399 -7.3399 4.1796 4.1796 4.7653 4.7653 5.9700 5.9700 6.0310 6.0310 6.8192 6.8192 7.5951 7.5951 10.1495 10.1495 10.6522 10.6522 10.8734 10.8734 12.5613 12.5613 12.7799 12.7799 19.6917 19.6917 21.9660 21.9660 k = 0.5985-0.1845-0.9416 ( 3812 PWs) bands (ev): -81.0211 -81.0211 -46.7216 -46.7216 -45.0187 -45.0187 -44.9564 -44.9564 -33.7062 -33.7062 -7.4153 -7.4153 -7.3441 -7.3441 4.1407 4.1407 4.7610 4.7610 5.9675 5.9675 6.1093 6.1093 6.8177 6.8177 7.6117 7.6117 10.1378 10.1378 10.6394 10.6394 10.8714 10.8714 12.5796 12.5796 12.7960 12.7960 19.6039 19.6039 22.0403 22.0403 k = 0.5940-0.1694-0.9416 ( 3818 PWs) bands (ev): -81.0211 -81.0211 -46.7215 -46.7215 -45.0187 -45.0187 -44.9560 -44.9560 -33.7064 -33.7064 -7.4200 -7.4200 -7.3485 -7.3485 4.1032 4.1032 4.7565 4.7565 5.9668 5.9668 6.1884 6.1884 6.8159 6.8159 7.6256 7.6256 10.1243 10.1243 10.6271 10.6271 10.8696 10.8696 12.6003 12.6003 12.8120 12.8120 19.5167 19.5167 22.1150 22.1150 k = 0.5895-0.1543-0.9416 ( 3818 PWs) bands (ev): -81.0212 -81.0212 -46.7213 -46.7213 -45.0186 -45.0186 -44.9557 -44.9557 -33.7066 -33.7066 -7.4246 -7.4246 -7.3531 -7.3531 4.0670 4.0670 4.7518 4.7518 5.9680 5.9680 6.2675 6.2675 6.8140 6.8140 7.6368 7.6368 10.1090 10.1090 10.6154 10.6154 10.8681 10.8681 12.6233 12.6233 12.8276 12.8276 19.4306 19.4306 22.1899 22.1899 k = 0.5850-0.1391-0.9416 ( 3826 PWs) bands (ev): -81.0212 -81.0212 -46.7212 -46.7212 -45.0186 -45.0186 -44.9554 -44.9554 -33.7068 -33.7068 -7.4290 -7.4290 -7.3578 -7.3578 4.0322 4.0322 4.7469 4.7469 5.9712 5.9712 6.3462 6.3462 6.8123 6.8123 7.6452 7.6452 10.0919 10.0919 10.6043 10.6043 10.8668 10.8668 12.6484 12.6484 12.8430 12.8430 19.3456 19.3456 22.2647 22.2647 k = 0.5806-0.1240-0.9416 ( 3826 PWs) bands (ev): -81.0213 -81.0213 -46.7211 -46.7211 -45.0186 -45.0186 -44.9551 -44.9551 -33.7069 -33.7069 -7.4333 -7.4333 -7.3625 -7.3625 3.9989 3.9989 4.7419 4.7419 5.9762 5.9762 6.4238 6.4238 6.8112 6.8112 7.6511 7.6511 10.0730 10.0730 10.5940 10.5940 10.8659 10.8659 12.6753 12.6753 12.8580 12.8580 19.2620 19.2620 22.3390 22.3390 k = 0.5761-0.1089-0.9416 ( 3826 PWs) bands (ev): -81.0213 -81.0213 -46.7209 -46.7209 -45.0186 -45.0186 -44.9547 -44.9547 -33.7071 -33.7071 -7.4374 -7.4374 -7.3673 -7.3673 3.9671 3.9671 4.7367 4.7367 5.9828 5.9828 6.4994 6.4994 6.8115 6.8115 7.6544 7.6544 10.0523 10.0523 10.5844 10.5844 10.8654 10.8654 12.7037 12.7037 12.8726 12.8726 19.1802 19.1802 22.4125 22.4125 k = 0.5716-0.0938-0.9416 ( 3826 PWs) bands (ev): -81.0213 -81.0213 -46.7208 -46.7208 -45.0185 -45.0185 -44.9544 -44.9544 -33.7073 -33.7073 -7.4413 -7.4413 -7.3721 -7.3721 3.9368 3.9368 4.7315 4.7315 5.9909 5.9909 6.5712 6.5712 6.8146 6.8146 7.6554 7.6554 10.0300 10.0300 10.5757 10.5757 10.8651 10.8651 12.7334 12.7334 12.8867 12.8867 19.1004 19.1004 22.4845 22.4845 k = 0.5671-0.0787-0.9416 ( 3820 PWs) bands (ev): -81.0214 -81.0214 -46.7207 -46.7207 -45.0185 -45.0185 -44.9541 -44.9541 -33.7075 -33.7075 -7.4451 -7.4451 -7.3768 -7.3768 3.9082 3.9082 4.7263 4.7263 6.0003 6.0003 6.6357 6.6357 6.8237 6.8237 7.6542 7.6542 10.0063 10.0063 10.5677 10.5677 10.8653 10.8653 12.7641 12.7641 12.9004 12.9004 19.0229 19.0229 22.5546 22.5546 k = 0.5627-0.0636-0.9416 ( 3822 PWs) bands (ev): -81.0214 -81.0214 -46.7205 -46.7205 -45.0185 -45.0185 -44.9538 -44.9538 -33.7076 -33.7076 -7.4486 -7.4486 -7.3814 -7.3814 3.8812 3.8812 4.7211 4.7211 6.0108 6.0108 6.6864 6.6864 6.8452 6.8452 7.6511 7.6511 9.9812 9.9812 10.5604 10.5604 10.8657 10.8657 12.7953 12.7953 12.9134 12.9134 18.9480 18.9480 22.6219 22.6219 k = 0.5582-0.0485-0.9416 ( 3820 PWs) bands (ev): -81.0215 -81.0215 -46.7204 -46.7204 -45.0185 -45.0185 -44.9535 -44.9535 -33.7078 -33.7078 -7.4520 -7.4520 -7.3858 -7.3858 3.8559 3.8559 4.7160 4.7160 6.0221 6.0221 6.7173 6.7173 6.8846 6.8846 7.6463 7.6463 9.9551 9.9551 10.5540 10.5540 10.8663 10.8663 12.8266 12.8266 12.9259 12.9259 18.8761 18.8761 22.6855 22.6855 k = 0.5537-0.0333-0.9416 ( 3812 PWs) bands (ev): -81.0215 -81.0215 -46.7203 -46.7203 -45.0185 -45.0185 -44.9532 -44.9532 -33.7079 -33.7079 -7.4551 -7.4551 -7.3901 -7.3901 3.8324 3.8324 4.7111 4.7111 6.0341 6.0341 6.7316 6.7316 6.9383 6.9383 7.6400 7.6400 9.9282 9.9282 10.5482 10.5482 10.8673 10.8673 12.8577 12.8577 12.9380 12.9380 18.8075 18.8075 22.7441 22.7441 k = 0.5492-0.0182-0.9416 ( 3818 PWs) bands (ev): -81.0215 -81.0215 -46.7202 -46.7202 -45.0185 -45.0185 -44.9529 -44.9529 -33.7081 -33.7081 -7.4581 -7.4581 -7.3941 -7.3941 3.8106 3.8106 4.7063 4.7063 6.0465 6.0465 6.7373 6.7373 6.9979 6.9979 7.6325 7.6325 9.9010 9.9010 10.5432 10.5432 10.8683 10.8683 12.8878 12.8878 12.9496 12.9496 18.7425 18.7425 22.7964 22.7964 k = 0.5448-0.0031-0.9416 ( 3814 PWs) bands (ev): -81.0216 -81.0216 -46.7201 -46.7201 -45.0185 -45.0185 -44.9526 -44.9526 -33.7082 -33.7082 -7.4608 -7.4608 -7.3979 -7.3979 3.7906 3.7906 4.7017 4.7017 6.0591 6.0591 6.7390 6.7390 7.0585 7.0585 7.6242 7.6242 9.8736 9.8736 10.5388 10.5388 10.8695 10.8695 12.9161 12.9161 12.9614 12.9614 18.6816 18.6816 22.8410 22.8410 k = 0.5403 0.0120-0.9416 ( 3818 PWs) bands (ev): -81.0216 -81.0216 -46.7200 -46.7200 -45.0185 -45.0185 -44.9524 -44.9524 -33.7084 -33.7084 -7.4632 -7.4632 -7.4015 -7.4015 3.7724 3.7724 4.6975 4.6975 6.0715 6.0715 6.7388 6.7388 7.1174 7.1174 7.6154 7.6154 9.8467 9.8467 10.5350 10.5350 10.8708 10.8708 12.9410 12.9410 12.9745 12.9745 18.6251 18.6251 22.8767 22.8767 k = 0.5358 0.0271-0.9416 ( 3818 PWs) bands (ev): -81.0216 -81.0216 -46.7199 -46.7199 -45.0185 -45.0185 -44.9521 -44.9521 -33.7085 -33.7085 -7.4654 -7.4654 -7.4047 -7.4047 3.7560 3.7560 4.6935 4.6935 6.0836 6.0836 6.7378 6.7378 7.1730 7.1730 7.6064 7.6064 9.8206 9.8206 10.5317 10.5317 10.8721 10.8721 12.9598 12.9598 12.9910 12.9910 18.5733 18.5733 22.9030 22.9030 k = 0.5313 0.0422-0.9416 ( 3826 PWs) bands (ev): -81.0217 -81.0217 -46.7198 -46.7198 -45.0185 -45.0185 -44.9519 -44.9519 -33.7086 -33.7086 -7.4674 -7.4674 -7.4076 -7.4076 3.7416 3.7416 4.6899 4.6899 6.0950 6.0950 6.7363 6.7363 7.2244 7.2244 7.5976 7.5976 9.7959 9.7959 10.5290 10.5290 10.8733 10.8733 12.9722 12.9722 13.0109 13.0109 18.5266 18.5266 22.9203 22.9203 k = 0.5269 0.0573-0.9416 ( 3818 PWs) bands (ev): -81.0217 -81.0217 -46.7198 -46.7198 -45.0185 -45.0185 -44.9518 -44.9518 -33.7087 -33.7087 -7.4691 -7.4691 -7.4102 -7.4102 3.7290 3.7290 4.6868 4.6868 6.1055 6.1055 6.7347 6.7347 7.2707 7.2707 7.5892 7.5892 9.7730 9.7730 10.5268 10.5268 10.8745 10.8745 12.9809 12.9809 13.0313 13.0313 18.4854 18.4854 22.9299 22.9299 k = 0.5224 0.0725-0.9416 ( 3824 PWs) bands (ev): -81.0217 -81.0217 -46.7197 -46.7197 -45.0185 -45.0185 -44.9516 -44.9516 -33.7087 -33.7087 -7.4706 -7.4706 -7.4124 -7.4124 3.7183 3.7183 4.6840 4.6840 6.1149 6.1149 6.7332 6.7332 7.3112 7.3112 7.5816 7.5816 9.7525 9.7525 10.5249 10.5249 10.8756 10.8756 12.9875 12.9875 13.0499 13.0499 18.4499 18.4499 22.9338 22.9338 k = 0.5179 0.0876-0.9416 ( 3826 PWs) bands (ev): -81.0217 -81.0217 -46.7197 -46.7197 -45.0185 -45.0185 -44.9515 -44.9515 -33.7088 -33.7088 -7.4718 -7.4718 -7.4142 -7.4142 3.7096 3.7096 4.6818 4.6818 6.1230 6.1230 6.7319 6.7319 7.3453 7.3453 7.5750 7.5750 9.7349 9.7349 10.5235 10.5235 10.8765 10.8765 12.9926 12.9926 13.0659 13.0659 18.4204 18.4204 22.9342 22.9342 k = 0.5134 0.1027-0.9416 ( 3826 PWs) bands (ev): -81.0217 -81.0217 -46.7196 -46.7196 -45.0185 -45.0185 -44.9514 -44.9514 -33.7089 -33.7089 -7.4727 -7.4727 -7.4156 -7.4156 3.7028 3.7028 4.6800 4.6800 6.1295 6.1295 6.7308 6.7308 7.3724 7.3724 7.5697 7.5697 9.7206 9.7206 10.5224 10.5224 10.8772 10.8772 12.9964 12.9964 13.0788 13.0788 18.3972 18.3972 22.9326 22.9326 k = 0.5090 0.1178-0.9416 ( 3828 PWs) bands (ev): -81.0217 -81.0217 -46.7196 -46.7196 -45.0185 -45.0185 -44.9513 -44.9513 -33.7089 -33.7089 -7.4734 -7.4734 -7.4167 -7.4167 3.6979 3.6979 4.6787 4.6787 6.1342 6.1342 6.7300 6.7300 7.3920 7.3920 7.5658 7.5658 9.7101 9.7101 10.5216 10.5216 10.8778 10.8778 12.9992 12.9992 13.0882 13.0882 18.3805 18.3805 22.9306 22.9306 k = 0.5045 0.1329-0.9416 ( 3826 PWs) bands (ev): -81.0218 -81.0218 -46.7196 -46.7196 -45.0185 -45.0185 -44.9513 -44.9513 -33.7089 -33.7089 -7.4738 -7.4738 -7.4173 -7.4173 3.6950 3.6950 4.6779 4.6779 6.1371 6.1371 6.7295 6.7295 7.4039 7.4039 7.5635 7.5635 9.7036 9.7036 10.5211 10.5211 10.8781 10.8781 13.0008 13.0008 13.0939 13.0939 18.3704 18.3704 22.9291 22.9291 k = 0.5000 0.1480-0.9416 ( 3830 PWs) bands (ev): -81.0218 -81.0218 -46.7196 -46.7196 -45.0185 -45.0185 -44.9513 -44.9513 -33.7089 -33.7089 -7.4739 -7.4739 -7.4175 -7.4175 3.6940 3.6940 4.6776 4.6776 6.1381 6.1381 6.7293 6.7293 7.4078 7.4078 7.5627 7.5627 9.7015 9.7015 10.5210 10.5210 10.8782 10.8782 13.0013 13.0013 13.0958 13.0958 18.3671 18.3671 22.9285 22.9285 k = 0.5000 0.1480-0.9416 ( 3830 PWs) bands (ev): -81.0218 -81.0218 -46.7196 -46.7196 -45.0185 -45.0185 -44.9513 -44.9513 -33.7089 -33.7089 -7.4739 -7.4739 -7.4175 -7.4175 3.6940 3.6940 4.6776 4.6776 6.1381 6.1381 6.7293 6.7293 7.4078 7.4078 7.5627 7.5627 9.7015 9.7015 10.5210 10.5210 10.8782 10.8782 13.0013 13.0013 13.0958 13.0958 18.3671 18.3671 22.9285 22.9285 k = 0.5131 0.1519-0.9340 ( 3824 PWs) bands (ev): -81.0218 -81.0218 -46.7196 -46.7196 -45.0185 -45.0185 -44.9512 -44.9512 -33.7089 -33.7089 -7.4738 -7.4738 -7.4178 -7.4178 3.6943 3.6943 4.6782 4.6782 6.1378 6.1378 6.7285 6.7285 7.4082 7.4082 7.5627 7.5627 9.7018 9.7018 10.5210 10.5210 10.8782 10.8782 12.9997 12.9997 13.0954 13.0954 18.3706 18.3706 22.9282 22.9282 k = 0.5261 0.1558-0.9265 ( 3826 PWs) bands (ev): -81.0218 -81.0218 -46.7196 -46.7196 -45.0185 -45.0185 -44.9512 -44.9512 -33.7089 -33.7089 -7.4733 -7.4733 -7.4187 -7.4187 3.6953 3.6953 4.6799 4.6799 6.1371 6.1371 6.7262 6.7262 7.4094 7.4094 7.5625 7.5625 9.7030 9.7030 10.5212 10.5212 10.8783 10.8783 12.9950 12.9950 13.0943 13.0943 18.3810 18.3810 22.9273 22.9273 k = 0.5392 0.1596-0.9189 ( 3826 PWs) bands (ev): -81.0218 -81.0218 -46.7196 -46.7196 -45.0185 -45.0185 -44.9512 -44.9512 -33.7089 -33.7089 -7.4725 -7.4725 -7.4202 -7.4202 3.6968 3.6968 4.6828 4.6828 6.1360 6.1360 6.7223 6.7223 7.4113 7.4113 7.5622 7.5622 9.7049 9.7049 10.5214 10.5214 10.8784 10.8784 12.9873 12.9873 13.0925 13.0925 18.3984 18.3984 22.9258 22.9258 k = 0.5522 0.1635-0.9114 ( 3825 PWs) bands (ev): -81.0218 -81.0218 -46.7196 -46.7196 -45.0185 -45.0185 -44.9512 -44.9512 -33.7090 -33.7090 -7.4715 -7.4715 -7.4222 -7.4222 3.6991 3.6991 4.6868 4.6868 6.1344 6.1344 6.7169 6.7169 7.4139 7.4139 7.5617 7.5617 9.7076 9.7076 10.5217 10.5217 10.8785 10.8785 12.9766 12.9766 13.0900 13.0900 18.4224 18.4224 22.9236 22.9236 k = 0.5653 0.1674-0.9039 ( 3828 PWs) bands (ev): -81.0218 -81.0218 -46.7195 -46.7195 -45.0184 -45.0184 -44.9512 -44.9512 -33.7090 -33.7090 -7.4701 -7.4701 -7.4248 -7.4248 3.7019 3.7019 4.6920 4.6920 6.1323 6.1323 6.7099 6.7099 7.4172 7.4172 7.5612 7.5612 9.7110 9.7110 10.5220 10.5220 10.8787 10.8787 12.9631 12.9631 13.0869 13.0869 18.4531 18.4531 22.9206 22.9206 k = 0.5783 0.1712-0.8963 ( 3829 PWs) bands (ev): -81.0218 -81.0218 -46.7195 -46.7195 -45.0184 -45.0184 -44.9512 -44.9512 -33.7090 -33.7090 -7.4685 -7.4685 -7.4280 -7.4280 3.7055 3.7055 4.6982 4.6982 6.1298 6.1298 6.7014 6.7014 7.4212 7.4212 7.5605 7.5605 9.7151 9.7151 10.5225 10.5225 10.8789 10.8789 12.9470 12.9470 13.0831 13.0831 18.4901 18.4901 22.9166 22.9166 k = 0.5914 0.1751-0.8888 ( 3829 PWs) bands (ev): -81.0218 -81.0218 -46.7195 -46.7195 -45.0183 -45.0183 -44.9512 -44.9512 -33.7090 -33.7090 -7.4666 -7.4666 -7.4317 -7.4317 3.7096 3.7096 4.7055 4.7055 6.1270 6.1270 6.6913 6.6913 7.4259 7.4259 7.5597 7.5597 9.7199 9.7199 10.5230 10.5230 10.8792 10.8792 12.9285 12.9285 13.0788 13.0788 18.5332 18.5332 22.9115 22.9115 k = 0.6044 0.1790-0.8812 ( 3829 PWs) bands (ev): -81.0218 -81.0218 -46.7195 -46.7195 -45.0183 -45.0183 -44.9512 -44.9512 -33.7091 -33.7091 -7.4646 -7.4646 -7.4358 -7.4358 3.7145 3.7145 4.7139 4.7139 6.1238 6.1238 6.6797 6.6797 7.4312 7.4312 7.5588 7.5588 9.7253 9.7253 10.5237 10.5237 10.8796 10.8796 12.9079 12.9079 13.0738 13.0738 18.5820 18.5820 22.9051 22.9051 k = 0.6175 0.1828-0.8737 ( 3824 PWs) bands (ev): -81.0218 -81.0218 -46.7194 -46.7194 -45.0182 -45.0182 -44.9512 -44.9512 -33.7091 -33.7091 -7.4626 -7.4626 -7.4401 -7.4401 3.7200 3.7200 4.7234 4.7234 6.1202 6.1202 6.6665 6.6665 7.4370 7.4370 7.5578 7.5578 9.7313 9.7313 10.5244 10.5244 10.8801 10.8801 12.8855 12.8855 13.0683 13.0683 18.6363 18.6363 22.8969 22.8969 k = 0.6305 0.1867-0.8662 ( 3820 PWs) bands (ev): -81.0218 -81.0218 -46.7194 -46.7194 -45.0181 -45.0181 -44.9512 -44.9512 -33.7091 -33.7091 -7.4610 -7.4610 -7.4443 -7.4443 3.7261 3.7261 4.7338 4.7338 6.1163 6.1163 6.6518 6.6518 7.4433 7.4433 7.5567 7.5567 9.7379 9.7379 10.5252 10.5252 10.8808 10.8808 12.8616 12.8616 13.0624 13.0624 18.6957 18.6957 22.8866 22.8866 k = 0.6436 0.1905-0.8586 ( 3822 PWs) bands (ev): -81.0218 -81.0218 -46.7194 -46.7194 -45.0181 -45.0181 -44.9512 -44.9512 -33.7092 -33.7092 -7.4612 -7.4612 -7.4470 -7.4470 3.7329 3.7329 4.7453 4.7453 6.1122 6.1122 6.6356 6.6356 7.4500 7.4500 7.5555 7.5555 9.7450 9.7450 10.5261 10.5261 10.8816 10.8816 12.8364 12.8364 13.0559 13.0559 18.7598 18.7598 22.8738 22.8738 k = 0.6566 0.1944-0.8511 ( 3832 PWs) bands (ev): -81.0218 -81.0218 -46.7193 -46.7193 -45.0180 -45.0180 -44.9512 -44.9512 -33.7092 -33.7092 -7.4646 -7.4646 -7.4467 -7.4467 3.7404 3.7404 4.7577 4.7577 6.1078 6.1078 6.6178 6.6178 7.4572 7.4572 7.5542 7.5542 9.7526 9.7526 10.5271 10.5271 10.8826 10.8826 12.8104 12.8104 13.0490 13.0490 18.8283 18.8283 22.8578 22.8578 k = 0.6566 0.1944-0.8511 ( 3832 PWs) bands (ev): -81.0218 -81.0218 -46.7193 -46.7193 -45.0180 -45.0180 -44.9512 -44.9512 -33.7092 -33.7092 -7.4646 -7.4646 -7.4467 -7.4467 3.7404 3.7404 4.7577 4.7577 6.1078 6.1078 6.6178 6.6178 7.4572 7.4572 7.5542 7.5542 9.7526 9.7526 10.5271 10.5271 10.8826 10.8826 12.8104 12.8104 13.0490 13.0490 18.8283 18.8283 22.8578 22.8578 k = 0.6541 0.1937-0.8357 ( 3827 PWs) bands (ev): -81.0219 -81.0219 -46.7191 -46.7191 -45.0176 -45.0176 -44.9512 -44.9512 -33.7094 -33.7094 -7.4714 -7.4714 -7.4498 -7.4498 3.7543 3.7543 4.7500 4.7500 6.1115 6.1115 6.6349 6.6349 7.4533 7.4533 7.5612 7.5612 9.7532 9.7532 10.5304 10.5304 10.8828 10.8828 12.7888 12.7888 13.0487 13.0487 18.8521 18.8521 22.8166 22.8166 k = 0.6515 0.1929-0.8202 ( 3831 PWs) bands (ev): -81.0219 -81.0219 -46.7190 -46.7190 -45.0173 -45.0173 -44.9512 -44.9512 -33.7096 -33.7096 -7.4883 -7.4883 -7.4448 -7.4448 3.7720 3.7720 4.7427 4.7427 6.1152 6.1152 6.6499 6.6499 7.4496 7.4496 7.5701 7.5701 9.7550 9.7550 10.5343 10.5343 10.8835 10.8835 12.7656 12.7656 13.0479 13.0479 18.8776 18.8776 22.7724 22.7724 k = 0.6489 0.1921-0.8048 ( 3829 PWs) bands (ev): -81.0220 -81.0220 -46.7187 -46.7187 -45.0168 -45.0168 -44.9512 -44.9512 -33.7099 -33.7099 -7.5076 -7.5076 -7.4396 -7.4396 3.7934 3.7934 4.7359 4.7359 6.1191 6.1191 6.6625 6.6625 7.4460 7.4460 7.5812 7.5812 9.7580 9.7580 10.5388 10.5388 10.8845 10.8845 12.7411 12.7411 13.0466 13.0466 18.9047 18.9047 22.7257 22.7257 k = 0.6464 0.1914-0.7893 ( 3832 PWs) bands (ev): -81.0221 -81.0221 -46.7185 -46.7185 -45.0162 -45.0162 -44.9512 -44.9512 -33.7102 -33.7102 -7.5283 -7.5283 -7.4350 -7.4350 3.8184 3.8184 4.7298 4.7298 6.1231 6.1231 6.6723 6.6723 7.4428 7.4428 7.5946 7.5946 9.7620 9.7620 10.5438 10.5438 10.8859 10.8859 12.7154 12.7154 13.0448 13.0448 18.9334 18.9334 22.6765 22.6765 k = 0.6438 0.1906-0.7739 ( 3834 PWs) bands (ev): -81.0222 -81.0222 -46.7182 -46.7182 -45.0156 -45.0156 -44.9512 -44.9512 -33.7106 -33.7106 -7.5503 -7.5503 -7.4311 -7.4311 3.8469 3.8469 4.7247 4.7247 6.1270 6.1270 6.6791 6.6791 7.4398 7.4398 7.6104 7.6104 9.7671 9.7671 10.5492 10.5492 10.8879 10.8879 12.6885 12.6885 13.0424 13.0424 18.9635 18.9635 22.6251 22.6251 k = 0.6412 0.1899-0.7585 ( 3833 PWs) bands (ev): -81.0223 -81.0223 -46.7178 -46.7178 -45.0150 -45.0150 -44.9512 -44.9512 -33.7110 -33.7110 -7.5734 -7.5734 -7.4280 -7.4280 3.8787 3.8787 4.7208 4.7208 6.1309 6.1309 6.6825 6.6825 7.4373 7.4373 7.6288 7.6288 9.7732 9.7732 10.5550 10.5550 10.8903 10.8903 12.6607 12.6607 13.0397 13.0397 18.9950 18.9950 22.5714 22.5714 k = 0.6387 0.1891-0.7430 ( 3840 PWs) bands (ev): -81.0224 -81.0224 -46.7175 -46.7175 -45.0142 -45.0142 -44.9512 -44.9512 -33.7114 -33.7114 -7.5976 -7.5976 -7.4257 -7.4257 3.9135 3.9135 4.7183 4.7183 6.1348 6.1348 6.6825 6.6825 7.4352 7.4352 7.6497 7.6497 9.7801 9.7801 10.5611 10.5611 10.8933 10.8933 12.6321 12.6321 13.0365 13.0365 19.0276 19.0276 22.5153 22.5153 k = 0.6361 0.1883-0.7276 ( 3836 PWs) bands (ev): -81.0225 -81.0225 -46.7170 -46.7170 -45.0134 -45.0134 -44.9512 -44.9512 -33.7118 -33.7118 -7.6230 -7.6230 -7.4240 -7.4240 3.9511 3.9511 4.7176 4.7176 6.1384 6.1384 6.6789 6.6789 7.4338 7.4338 7.6732 7.6732 9.7878 9.7878 10.5675 10.5675 10.8970 10.8970 12.6029 12.6029 13.0329 13.0329 19.0613 19.0613 22.4569 22.4569 k = 0.6335 0.1876-0.7122 ( 3837 PWs) bands (ev): -81.0226 -81.0226 -46.7166 -46.7166 -45.0125 -45.0125 -44.9512 -44.9512 -33.7123 -33.7123 -7.6494 -7.6494 -7.4230 -7.4230 3.9913 3.9913 4.7190 4.7190 6.1418 6.1418 6.6717 6.6717 7.4331 7.4331 7.6989 7.6989 9.7961 9.7961 10.5741 10.5741 10.9012 10.9012 12.5733 12.5733 13.0289 13.0289 19.0958 19.0958 22.3959 22.3959 k = 0.6310 0.1868-0.6967 ( 3837 PWs) bands (ev): -81.0228 -81.0228 -46.7162 -46.7162 -45.0116 -45.0116 -44.9512 -44.9512 -33.7129 -33.7129 -7.6768 -7.6768 -7.4225 -7.4225 4.0335 4.0335 4.7227 4.7227 6.1449 6.1449 6.6612 6.6612 7.4332 7.4332 7.7268 7.7268 9.8050 9.8050 10.5808 10.5808 10.9061 10.9061 12.5433 12.5433 13.0247 13.0247 19.1311 19.1311 22.3325 22.3325 k = 0.6284 0.1861-0.6813 ( 3833 PWs) bands (ev): -81.0229 -81.0229 -46.7157 -46.7157 -45.0106 -45.0106 -44.9511 -44.9511 -33.7134 -33.7134 -7.7051 -7.7051 -7.4227 -7.4227 4.0774 4.0774 4.7294 4.7294 6.1477 6.1477 6.6474 6.6474 7.4343 7.4343 7.7566 7.7566 9.8143 9.8143 10.5876 10.5876 10.9118 10.9118 12.5133 12.5133 13.0201 13.0201 19.1669 19.1669 22.2664 22.2664 k = 0.6258 0.1853-0.6659 ( 3840 PWs) bands (ev): -81.0231 -81.0231 -46.7152 -46.7152 -45.0095 -45.0095 -44.9511 -44.9511 -33.7140 -33.7140 -7.7344 -7.7344 -7.4234 -7.4234 4.1224 4.1224 4.7394 4.7394 6.1499 6.1499 6.6307 6.6307 7.4364 7.4364 7.7878 7.7878 9.8239 9.8239 10.5943 10.5943 10.9180 10.9180 12.4833 12.4833 13.0153 13.0153 19.2031 19.2031 22.1976 22.1976 k = 0.6233 0.1845-0.6504 ( 3838 PWs) bands (ev): -81.0232 -81.0232 -46.7146 -46.7146 -45.0084 -45.0084 -44.9511 -44.9511 -33.7147 -33.7147 -7.7646 -7.7646 -7.4246 -7.4246 4.1679 4.1679 4.7532 4.7532 6.1516 6.1516 6.6114 6.6114 7.4397 7.4397 7.8201 7.8201 9.8338 9.8338 10.6008 10.6008 10.9250 10.9250 12.4537 12.4537 13.0104 13.0104 19.2394 19.2394 22.1261 22.1261 k = 0.6207 0.1838-0.6350 ( 3838 PWs) bands (ev): -81.0234 -81.0234 -46.7140 -46.7140 -45.0073 -45.0073 -44.9511 -44.9511 -33.7153 -33.7153 -7.7955 -7.7955 -7.4262 -7.4262 4.2132 4.2132 4.7715 4.7715 6.1528 6.1528 6.5898 6.5898 7.4443 7.4443 7.8531 7.8531 9.8439 9.8439 10.6072 10.6072 10.9327 10.9327 12.4246 12.4246 13.0053 13.0053 19.2757 19.2757 22.0518 22.0518 k = 0.6181 0.1830-0.6196 ( 3839 PWs) bands (ev): -81.0236 -81.0236 -46.7135 -46.7135 -45.0061 -45.0061 -44.9511 -44.9511 -33.7160 -33.7160 -7.8272 -7.8272 -7.4283 -7.4283 4.2575 4.2575 4.7949 4.7949 6.1532 6.1532 6.5663 6.5663 7.4502 7.4502 7.8863 7.8863 9.8541 9.8541 10.6132 10.6132 10.9411 10.9411 12.3962 12.3962 13.0001 13.0001 19.3117 19.3117 21.9748 21.9748 k = 0.6155 0.1822-0.6041 ( 3836 PWs) bands (ev): -81.0237 -81.0237 -46.7128 -46.7128 -45.0048 -45.0048 -44.9511 -44.9511 -33.7167 -33.7167 -7.8596 -7.8596 -7.4308 -7.4308 4.3002 4.3002 4.8237 4.8237 6.1530 6.1530 6.5414 6.5414 7.4576 7.4576 7.9193 7.9193 9.8643 9.8643 10.6188 10.6188 10.9501 10.9501 12.3687 12.3687 12.9949 12.9949 19.3473 19.3473 21.8951 21.8951 k = 0.6130 0.1815-0.5887 ( 3838 PWs) bands (ev): -81.0239 -81.0239 -46.7122 -46.7122 -45.0035 -45.0035 -44.9510 -44.9510 -33.7174 -33.7174 -7.8926 -7.8926 -7.4336 -7.4336 4.3407 4.3407 4.8585 4.8585 6.1520 6.1520 6.5154 6.5154 7.4665 7.4665 7.9518 7.9518 9.8745 9.8745 10.6239 10.6239 10.9598 10.9598 12.3424 12.3424 12.9897 12.9897 19.3822 19.3822 21.8127 21.8127 k = 0.6104 0.1807-0.5733 ( 3834 PWs) bands (ev): -81.0241 -81.0241 -46.7116 -46.7116 -45.0022 -45.0022 -44.9510 -44.9510 -33.7182 -33.7182 -7.9261 -7.9261 -7.4367 -7.4367 4.3786 4.3786 4.8992 4.8992 6.1501 6.1501 6.4888 6.4888 7.4771 7.4771 7.9833 7.9833 9.8847 9.8847 10.6283 10.6283 10.9700 10.9700 12.3175 12.3175 12.9846 12.9846 19.4162 19.4162 21.7278 21.7278 k = 0.6078 0.1800-0.5578 ( 3842 PWs) bands (ev): -81.0243 -81.0243 -46.7109 -46.7109 -45.0008 -45.0008 -44.9510 -44.9510 -33.7190 -33.7190 -7.9601 -7.9601 -7.4402 -7.4402 4.4139 4.4139 4.9455 4.9455 6.1475 6.1475 6.4622 6.4622 7.4893 7.4893 8.0133 8.0133 9.8948 9.8948 10.6321 10.6321 10.9808 10.9808 12.2943 12.2943 12.9797 12.9797 19.4491 19.4491 21.6403 21.6403 k = 0.6053 0.1792-0.5424 ( 3844 PWs) bands (ev): -81.0245 -81.0245 -46.7102 -46.7102 -44.9994 -44.9994 -44.9510 -44.9510 -33.7198 -33.7198 -7.9944 -7.9944 -7.4439 -7.4439 4.4467 4.4467 4.9969 4.9969 6.1439 6.1439 6.4361 6.4361 7.5033 7.5033 8.0416 8.0416 9.9049 9.9049 10.6350 10.6350 10.9920 10.9920 12.2729 12.2729 12.9750 12.9750 19.4805 19.4805 21.5504 21.5504 k = 0.6027 0.1784-0.5269 ( 3850 PWs) bands (ev): -81.0247 -81.0247 -46.7095 -46.7095 -44.9980 -44.9980 -44.9510 -44.9510 -33.7206 -33.7206 -8.0291 -8.0291 -7.4478 -7.4478 4.4775 4.4775 5.0522 5.0522 6.1396 6.1396 6.4113 6.4113 7.5190 7.5190 8.0678 8.0678 9.9147 9.9147 10.6370 10.6370 11.0035 11.0035 12.2536 12.2536 12.9705 12.9705 19.5104 19.5104 21.4584 21.4584 k = 0.6001 0.1777-0.5115 ( 3846 PWs) bands (ev): -81.0249 -81.0249 -46.7088 -46.7088 -44.9965 -44.9965 -44.9509 -44.9509 -33.7214 -33.7214 -8.0641 -8.0641 -7.4520 -7.4520 4.5067 4.5067 5.1104 5.1104 6.1343 6.1343 6.3885 6.3885 7.5365 7.5365 8.0916 8.0916 9.9245 9.9245 10.6380 10.6380 11.0153 11.0153 12.2366 12.2366 12.9664 12.9664 19.5383 19.5383 21.3643 21.3643 k = 0.5976 0.1769-0.4961 ( 3843 PWs) bands (ev): -81.0252 -81.0252 -46.7081 -46.7081 -44.9950 -44.9950 -44.9509 -44.9509 -33.7222 -33.7222 -8.0992 -8.0992 -7.4564 -7.4564 4.5349 4.5349 5.1700 5.1700 6.1283 6.1283 6.3688 6.3688 7.5558 7.5558 8.1126 8.1126 9.9341 9.9341 10.6378 10.6378 11.0273 11.0273 12.2223 12.2223 12.9627 12.9627 19.5642 19.5642 21.2684 21.2684 k = 0.5950 0.1762-0.4806 ( 3846 PWs) bands (ev): -81.0254 -81.0254 -46.7074 -46.7074 -44.9935 -44.9935 -44.9509 -44.9509 -33.7231 -33.7231 -8.1344 -8.1344 -7.4609 -7.4609 4.5624 4.5624 5.2294 5.2294 6.1214 6.1214 6.3532 6.3532 7.5769 7.5769 8.1306 8.1306 9.9434 9.9434 10.6365 10.6365 11.0392 11.0392 12.2108 12.2108 12.9594 12.9594 19.5876 19.5876 21.1708 21.1708 k = 0.5924 0.1754-0.4652 ( 3844 PWs) bands (ev): -81.0256 -81.0256 -46.7066 -46.7066 -44.9919 -44.9919 -44.9509 -44.9509 -33.7240 -33.7240 -8.1696 -8.1696 -7.4655 -7.4655 4.5898 4.5898 5.2868 5.2868 6.1137 6.1137 6.3433 6.3433 7.5998 7.5998 8.1453 8.1453 9.9526 9.9526 10.6338 10.6338 11.0510 11.0510 12.2023 12.2023 12.9565 12.9565 19.6085 19.6085 21.0719 21.0719 k = 0.5899 0.1746-0.4498 ( 3838 PWs) bands (ev): -81.0258 -81.0258 -46.7059 -46.7059 -44.9904 -44.9904 -44.9508 -44.9508 -33.7248 -33.7248 -8.2047 -8.2047 -7.4703 -7.4703 4.6173 4.6173 5.3402 5.3402 6.1053 6.1053 6.3407 6.3407 7.6244 7.6244 8.1567 8.1567 9.9616 9.9616 10.6298 10.6298 11.0625 11.0625 12.1970 12.1970 12.9542 12.9542 19.6264 19.6264 20.9719 20.9719 k = 0.5873 0.1739-0.4343 ( 3838 PWs) bands (ev): -81.0260 -81.0260 -46.7051 -46.7051 -44.9888 -44.9888 -44.9508 -44.9508 -33.7257 -33.7257 -8.2398 -8.2398 -7.4752 -7.4752 4.6453 4.6453 5.3876 5.3876 6.0963 6.0963 6.3470 6.3470 7.6507 7.6507 8.1644 8.1644 9.9703 9.9703 10.6243 10.6243 11.0735 11.0735 12.1952 12.1952 12.9525 12.9525 19.6411 19.6411 20.8712 20.8712 k = 0.5847 0.1731-0.4189 ( 3833 PWs) bands (ev): -81.0262 -81.0262 -46.7044 -46.7044 -44.9873 -44.9873 -44.9508 -44.9508 -33.7266 -33.7266 -8.2746 -8.2746 -7.4801 -7.4801 4.6738 4.6738 5.4272 5.4272 6.0866 6.0866 6.3640 6.3640 7.6787 7.6787 8.1685 8.1685 9.9786 9.9786 10.6173 10.6173 11.0839 11.0839 12.1969 12.1969 12.9514 12.9514 19.6523 19.6523 20.7700 20.7700 k = 0.5822 0.1724-0.4035 ( 3831 PWs) bands (ev): -81.0265 -81.0265 -46.7037 -46.7037 -44.9857 -44.9857 -44.9507 -44.9507 -33.7274 -33.7274 -8.3092 -8.3092 -7.4852 -7.4852 4.7032 4.7032 5.4575 5.4575 6.0764 6.0764 6.3928 6.3928 7.7083 7.7083 8.1689 8.1689 9.9867 9.9867 10.6087 10.6087 11.0935 11.0935 12.2023 12.2023 12.9509 12.9509 19.6597 19.6597 20.6690 20.6690 k = 0.5796 0.1716-0.3880 ( 3835 PWs) bands (ev): -81.0267 -81.0267 -46.7029 -46.7029 -44.9841 -44.9841 -44.9507 -44.9507 -33.7283 -33.7283 -8.3434 -8.3434 -7.4902 -7.4902 4.7335 4.7335 5.4779 5.4779 6.0656 6.0656 6.4339 6.4339 7.7395 7.7395 8.1654 8.1654 9.9943 9.9943 10.5985 10.5985 11.1022 11.1022 12.2115 12.2115 12.9510 12.9510 19.6628 19.6628 20.5685 20.5685 k = 0.5770 0.1708-0.3726 ( 3840 PWs) bands (ev): -81.0269 -81.0269 -46.7022 -46.7022 -44.9826 -44.9826 -44.9507 -44.9507 -33.7292 -33.7292 -8.3772 -8.3772 -7.4953 -7.4953 4.7647 4.7647 5.4888 5.4888 6.0545 6.0545 6.4868 6.4868 7.7721 7.7721 8.1583 8.1583 10.0015 10.0015 10.5866 10.5866 11.1098 11.1098 12.2243 12.2243 12.9518 12.9518 19.6612 19.6612 20.4693 20.4693 k = 0.5745 0.1701-0.3572 ( 3838 PWs) bands (ev): -81.0271 -81.0271 -46.7014 -46.7014 -44.9810 -44.9810 -44.9507 -44.9507 -33.7301 -33.7301 -8.4106 -8.4106 -7.5004 -7.5004 4.7971 4.7971 5.4910 5.4910 6.0429 6.0429 6.5504 6.5504 7.8061 7.8061 8.1474 8.1474 10.0082 10.0082 10.5731 10.5731 11.1163 11.1163 12.2408 12.2408 12.9533 12.9533 19.6542 19.6542 20.3720 20.3720 k = 0.5719 0.1693-0.3417 ( 3838 PWs) bands (ev): -81.0274 -81.0274 -46.7007 -46.7007 -44.9795 -44.9795 -44.9506 -44.9506 -33.7309 -33.7309 -8.4434 -8.4434 -7.5054 -7.5054 4.8304 4.8304 5.4859 5.4859 6.0311 6.0311 6.6231 6.6231 7.8415 7.8415 8.1329 8.1329 10.0144 10.0144 10.5578 10.5578 11.1215 11.1215 12.2609 12.2609 12.9554 12.9554 19.6411 19.6411 20.2776 20.2776 k = 0.5693 0.1686-0.3263 ( 3840 PWs) bands (ev): -81.0276 -81.0276 -46.7000 -46.7000 -44.9779 -44.9779 -44.9506 -44.9506 -33.7318 -33.7318 -8.4756 -8.4756 -7.5104 -7.5104 4.8649 4.8649 5.4751 5.4751 6.0191 6.0191 6.7034 6.7034 7.8780 7.8780 8.1151 8.1151 10.0200 10.0200 10.5409 10.5409 11.1255 11.1255 12.2845 12.2845 12.9582 12.9582 19.6210 19.6210 20.1874 20.1874 k = 0.5668 0.1678-0.3109 ( 3841 PWs) bands (ev): -81.0278 -81.0278 -46.6993 -46.6993 -44.9764 -44.9764 -44.9506 -44.9506 -33.7326 -33.7326 -8.5072 -8.5072 -7.5154 -7.5154 4.9005 4.9005 5.4599 5.4599 6.0069 6.0069 6.7898 6.7898 7.9157 7.9157 8.0939 8.0939 10.0249 10.0249 10.5223 10.5223 11.1281 11.1281 12.3112 12.3112 12.9616 12.9616 19.5927 19.5927 20.1028 20.1028 k = 0.5642 0.1670-0.2954 ( 3837 PWs) bands (ev): -81.0280 -81.0280 -46.6986 -46.6986 -44.9749 -44.9749 -44.9505 -44.9505 -33.7334 -33.7334 -8.5380 -8.5380 -7.5203 -7.5203 4.9371 4.9371 5.4413 5.4413 5.9947 5.9947 6.8810 6.8810 7.9541 7.9541 8.0699 8.0699 10.0291 10.0291 10.5019 10.5019 11.1295 11.1295 12.3410 12.3410 12.9656 12.9656 19.5551 19.5551 20.0250 20.0250 k = 0.5616 0.1663-0.2800 ( 3831 PWs) bands (ev): -81.0282 -81.0282 -46.6979 -46.6979 -44.9735 -44.9735 -44.9505 -44.9505 -33.7342 -33.7342 -8.5681 -8.5681 -7.5252 -7.5252 4.9747 4.9747 5.4204 5.4204 5.9824 5.9824 6.9759 6.9759 7.9918 7.9918 8.0446 8.0446 10.0325 10.0325 10.4800 10.4800 11.1295 11.1295 12.3734 12.3734 12.9701 12.9701 19.5075 19.5075 19.9553 19.9553 k = 0.5591 0.1655-0.2645 ( 3833 PWs) bands (ev): -81.0284 -81.0284 -46.6972 -46.6972 -44.9720 -44.9720 -44.9505 -44.9505 -33.7350 -33.7350 -8.5973 -8.5973 -7.5299 -7.5299 5.0133 5.0133 5.3980 5.3980 5.9702 5.9702 7.0736 7.0736 8.0043 8.0043 8.0428 8.0428 10.0352 10.0352 10.4565 10.4565 11.1283 11.1283 12.4081 12.4081 12.9752 12.9752 19.4501 19.4501 19.8936 19.8936 k = 0.5565 0.1648-0.2491 ( 3838 PWs) bands (ev): -81.0286 -81.0286 -46.6966 -46.6966 -44.9707 -44.9707 -44.9504 -44.9504 -33.7358 -33.7358 -8.6257 -8.6257 -7.5346 -7.5346 5.0528 5.0528 5.3746 5.3746 5.9581 5.9581 7.1733 7.1733 7.9754 7.9754 8.0805 8.0805 10.0369 10.0369 10.4314 10.4314 11.1259 11.1259 12.4449 12.4449 12.9807 12.9807 19.3842 19.3842 19.8394 19.8394 k = 0.5539 0.1640-0.2337 ( 3833 PWs) bands (ev): -81.0288 -81.0288 -46.6960 -46.6960 -44.9693 -44.9693 -44.9504 -44.9504 -33.7366 -33.7366 -8.6532 -8.6532 -7.5391 -7.5391 5.0930 5.0930 5.3507 5.3507 5.9461 5.9461 7.2744 7.2744 7.9409 7.9409 8.1222 8.1222 10.0377 10.0377 10.4049 10.4049 11.1224 11.1224 12.4833 12.4833 12.9866 12.9866 19.3119 19.3119 19.7908 19.7908 k = 0.5514 0.1632-0.2182 ( 3841 PWs) bands (ev): -81.0290 -81.0290 -46.6953 -46.6953 -44.9680 -44.9680 -44.9504 -44.9504 -33.7373 -33.7373 -8.6797 -8.6797 -7.5435 -7.5435 5.1336 5.1336 5.3270 5.3270 5.9343 5.9343 7.3763 7.3763 7.9039 7.9039 8.1650 8.1650 10.0374 10.0374 10.3770 10.3770 11.1178 11.1178 12.5231 12.5231 12.9929 12.9929 19.2352 19.2352 19.7463 19.7463 k = 0.5488 0.1625-0.2028 ( 3841 PWs) bands (ev): -81.0292 -81.0292 -46.6948 -46.6948 -44.9667 -44.9667 -44.9503 -44.9503 -33.7380 -33.7380 -8.7052 -8.7052 -7.5478 -7.5478 5.1743 5.1743 5.3041 5.3041 5.9228 5.9228 7.4786 7.4786 7.8650 7.8650 8.2085 8.2085 10.0361 10.0361 10.3478 10.3478 11.1122 11.1122 12.5638 12.5638 12.9995 12.9995 19.1562 19.1562 19.7045 19.7045 k = 0.5462 0.1617-0.1874 ( 3844 PWs) bands (ev): -81.0293 -81.0293 -46.6942 -46.6942 -44.9655 -44.9655 -44.9503 -44.9503 -33.7387 -33.7387 -8.7296 -8.7296 -7.5519 -7.5519 5.2129 5.2129 5.2842 5.2842 5.9116 5.9116 7.5805 7.5805 7.8246 7.8246 8.2525 8.2525 10.0336 10.0336 10.3174 10.3174 11.1057 11.1057 12.6050 12.6050 13.0063 13.0063 19.0764 19.0764 19.6643 19.6643 k = 0.5437 0.1610-0.1719 ( 3842 PWs) bands (ev): -81.0295 -81.0295 -46.6936 -46.6936 -44.9643 -44.9643 -44.9503 -44.9503 -33.7394 -33.7394 -8.7529 -8.7529 -7.5558 -7.5558 5.2350 5.2350 5.2818 5.2818 5.9008 5.9008 7.6809 7.6809 7.7838 7.7838 8.2968 8.2968 10.0299 10.0299 10.2860 10.2860 11.0984 11.0984 12.6465 12.6465 13.0133 13.0133 18.9971 18.9971 19.6251 19.6251 k = 0.5411 0.1602-0.1565 ( 3846 PWs) bands (ev): -81.0297 -81.0297 -46.6931 -46.6931 -44.9632 -44.9632 -44.9502 -44.9502 -33.7400 -33.7400 -8.7751 -8.7751 -7.5596 -7.5596 5.2238 5.2238 5.3136 5.3136 5.8904 5.8904 7.7338 7.7338 7.7885 7.7885 8.3412 8.3412 10.0249 10.0249 10.2536 10.2536 11.0905 11.0905 12.6878 12.6878 13.0203 13.0203 18.9192 18.9192 19.5865 19.5865 k = 0.5385 0.1594-0.1411 ( 3848 PWs) bands (ev): -81.0298 -81.0298 -46.6926 -46.6926 -44.9621 -44.9621 -44.9502 -44.9502 -33.7406 -33.7406 -8.7962 -8.7962 -7.5632 -7.5632 5.2047 5.2047 5.3544 5.3544 5.8804 5.8804 7.6932 7.6932 7.8846 7.8846 8.3856 8.3856 10.0186 10.0186 10.2205 10.2205 11.0819 11.0819 12.7286 12.7286 13.0274 13.0274 18.8435 18.8435 19.5484 19.5484 k = 0.5359 0.1587-0.1256 ( 3844 PWs) bands (ev): -81.0300 -81.0300 -46.6921 -46.6921 -44.9611 -44.9611 -44.9502 -44.9502 -33.7412 -33.7412 -8.8160 -8.8160 -7.5666 -7.5666 5.1850 5.1850 5.3968 5.3968 5.8709 5.8709 7.6494 7.6494 7.9818 7.9818 8.4298 8.4298 10.0109 10.0109 10.1868 10.1868 11.0728 11.0728 12.7685 12.7685 13.0344 13.0344 18.7705 18.7705 19.5109 19.5109 k = 0.5334 0.1579-0.1102 ( 3844 PWs) bands (ev): -81.0301 -81.0301 -46.6917 -46.6917 -44.9601 -44.9601 -44.9501 -44.9501 -33.7417 -33.7417 -8.8346 -8.8346 -7.5698 -7.5698 5.1658 5.1658 5.4393 5.4393 5.8619 5.8619 7.6051 7.6051 8.0772 8.0772 8.4736 8.4736 10.0017 10.0017 10.1528 10.1528 11.0634 11.0634 12.8073 12.8073 13.0414 13.0414 18.7009 18.7009 19.4742 19.4742 k = 0.5308 0.1572-0.0948 ( 3846 PWs) bands (ev): -81.0302 -81.0302 -46.6913 -46.6913 -44.9592 -44.9592 -44.9501 -44.9501 -33.7422 -33.7422 -8.8519 -8.8519 -7.5728 -7.5728 5.1477 5.1477 5.4815 5.4815 5.8534 5.8534 7.5611 7.5611 8.1699 8.1699 8.5168 8.5168 9.9910 9.9910 10.1186 10.1186 11.0538 11.0538 12.8445 12.8445 13.0481 13.0481 18.6350 18.6350 19.4384 19.4384 k = 0.5282 0.1564-0.0793 ( 3847 PWs) bands (ev): -81.0303 -81.0303 -46.6909 -46.6909 -44.9584 -44.9584 -44.9500 -44.9500 -33.7426 -33.7426 -8.8680 -8.8680 -7.5756 -7.5756 5.1306 5.1306 5.5229 5.5229 5.8456 5.8456 7.5176 7.5176 8.2597 8.2597 8.5592 8.5592 9.9789 9.9789 10.0845 10.0845 11.0442 11.0442 12.8800 12.8800 13.0547 13.0547 18.5731 18.5731 19.4038 19.4038 k = 0.5257 0.1556-0.0639 ( 3843 PWs) bands (ev): -81.0305 -81.0305 -46.6906 -46.6906 -44.9577 -44.9577 -44.9500 -44.9500 -33.7431 -33.7431 -8.8827 -8.8827 -7.5782 -7.5782 5.1148 5.1148 5.5632 5.5632 5.8383 5.8383 7.4752 7.4752 8.3458 8.3458 8.6004 8.6004 9.9655 9.9655 10.0508 10.0508 11.0347 11.0347 12.9132 12.9132 13.0611 13.0611 18.5156 18.5156 19.3708 19.3708 k = 0.5231 0.1549-0.0484 ( 3843 PWs) bands (ev): -81.0306 -81.0306 -46.6902 -46.6902 -44.9570 -44.9570 -44.9500 -44.9500 -33.7435 -33.7435 -8.8961 -8.8961 -7.5805 -7.5805 5.1004 5.1004 5.6020 5.6020 5.8317 5.8317 7.4343 7.4343 8.4278 8.4278 8.6401 8.6401 9.9508 9.9508 10.0179 10.0179 11.0254 11.0254 12.9441 12.9441 13.0671 13.0671 18.4629 18.4629 19.3396 19.3396 k = 0.5205 0.1541-0.0330 ( 3836 PWs) bands (ev): -81.0306 -81.0306 -46.6899 -46.6899 -44.9564 -44.9564 -44.9499 -44.9499 -33.7438 -33.7438 -8.9081 -8.9081 -7.5826 -7.5826 5.0873 5.0873 5.6388 5.6388 5.8257 5.8257 7.3954 7.3954 8.5048 8.5048 8.6780 8.6780 9.9351 9.9351 9.9862 9.9862 11.0166 11.0166 12.9722 12.9722 13.0729 13.0729 18.4150 18.4150 19.3107 19.3107 k = 0.5180 0.1534-0.0176 ( 3832 PWs) bands (ev): -81.0307 -81.0307 -46.6897 -46.6897 -44.9558 -44.9558 -44.9499 -44.9499 -33.7441 -33.7441 -8.9188 -8.9188 -7.5845 -7.5845 5.0757 5.0757 5.6732 5.6732 5.8205 5.8205 7.3590 7.3590 8.5763 8.5763 8.7137 8.7137 9.9187 9.9187 9.9562 9.9562 11.0084 11.0084 12.9972 12.9972 13.0785 13.0785 18.3723 18.3723 19.2842 19.2842 k = 0.5154 0.1526-0.0021 ( 3834 PWs) bands (ev): -81.0308 -81.0308 -46.6895 -46.6895 -44.9554 -44.9554 -44.9498 -44.9498 -33.7444 -33.7444 -8.9281 -8.9281 -7.5861 -7.5861 5.0655 5.0655 5.7045 5.7045 5.8159 5.8159 7.3258 7.3258 8.6411 8.6411 8.7467 8.7467 9.9021 9.9021 9.9284 9.9284 11.0009 11.0009 13.0188 13.0188 13.0839 13.0839 18.3349 18.3349 19.2606 19.2606 k = 0.5128 0.1518 0.0133 ( 3832 PWs) bands (ev): -81.0308 -81.0308 -46.6893 -46.6893 -44.9550 -44.9550 -44.9498 -44.9498 -33.7446 -33.7446 -8.9360 -8.9360 -7.5875 -7.5875 5.0569 5.0569 5.7322 5.7322 5.8122 5.8122 7.2962 7.2962 8.6983 8.6983 8.7766 8.7766 9.8856 9.8856 9.9034 9.9034 10.9943 10.9943 13.0368 13.0368 13.0893 13.0893 18.3030 18.3030 19.2401 19.2401 k = 0.5103 0.1511 0.0287 ( 3826 PWs) bands (ev): -81.0309 -81.0309 -46.6891 -46.6891 -44.9547 -44.9547 -44.9497 -44.9497 -33.7448 -33.7448 -8.9424 -8.9424 -7.5886 -7.5886 5.0498 5.0498 5.7557 5.7557 5.8094 5.8094 7.2710 7.2710 8.7465 8.7465 8.8032 8.8032 9.8700 9.8700 9.8821 9.8821 10.9888 10.9888 13.0507 13.0507 13.0947 13.0947 18.2767 18.2767 19.2230 19.2230 k = 0.5077 0.1503 0.0442 ( 3830 PWs) bands (ev): -81.0309 -81.0309 -46.6890 -46.6890 -44.9544 -44.9544 -44.9497 -44.9497 -33.7449 -33.7449 -8.9474 -8.9474 -7.5895 -7.5895 5.0443 5.0443 5.7740 5.7740 5.8078 5.8078 7.2506 7.2506 8.7841 8.7841 8.8262 8.8262 9.8560 9.8560 9.8652 9.8652 10.9843 10.9843 13.0607 13.0607 13.0999 13.0999 18.2562 18.2562 19.2095 19.2095 k = 0.5051 0.1496 0.0596 ( 3828 PWs) bands (ev): -81.0309 -81.0309 -46.6889 -46.6889 -44.9542 -44.9542 -44.9497 -44.9497 -33.7450 -33.7450 -8.9510 -8.9510 -7.5902 -7.5902 5.0403 5.0403 5.7863 5.7863 5.8079 5.8079 7.2357 7.2357 8.8100 8.8100 8.8452 8.8452 9.8446 9.8446 9.8532 9.8532 10.9810 10.9810 13.0671 13.0671 13.1044 13.1044 18.2415 18.2415 19.1996 19.1996 k = 0.5026 0.1488 0.0750 ( 3828 PWs) bands (ev): -81.0310 -81.0310 -46.6888 -46.6888 -44.9541 -44.9541 -44.9497 -44.9497 -33.7451 -33.7451 -8.9532 -8.9532 -7.5905 -7.5905 5.0379 5.0379 5.7921 5.7921 5.8096 5.8096 7.2265 7.2265 8.8245 8.8245 8.8582 8.8582 9.8371 9.8371 9.8460 9.8460 10.9791 10.9791 13.0707 13.0707 13.1075 13.1075 18.2326 18.2326 19.1937 19.1937 k = 0.5000 0.1480 0.0905 ( 3838 PWs) bands (ev): -81.0310 -81.0310 -46.6888 -46.6888 -44.9541 -44.9541 -44.9497 -44.9497 -33.7451 -33.7451 -8.9539 -8.9539 -7.5907 -7.5907 5.0371 5.0371 5.7936 5.7936 5.8108 5.8108 7.2234 7.2234 8.8291 8.8291 8.8628 8.8628 9.8345 9.8345 9.8436 9.8436 10.9784 10.9784 13.0718 13.0718 13.1086 13.1086 18.2296 18.2296 19.1917 19.1917 k = 0.5000-0.7704-0.4708 ( 3816 PWs) bands (ev): -81.0218 -81.0218 -46.7196 -46.7196 -45.0185 -45.0185 -44.9512 -44.9512 -33.7089 -33.7089 -7.5469 -7.5469 -7.3532 -7.3532 3.8224 3.8224 5.4007 5.4007 5.7295 5.7295 5.9876 5.9876 7.4287 7.4287 7.6691 7.6691 9.9148 9.9148 10.5182 10.5182 10.9036 10.9036 12.5714 12.5714 12.8922 12.8922 20.3728 20.3728 22.0115 22.0115 k = 0.5136-0.7639-0.4668 ( 3810 PWs) bands (ev): -81.0217 -81.0217 -46.7196 -46.7196 -45.0185 -45.0185 -44.9512 -44.9512 -33.7089 -33.7089 -7.5467 -7.5467 -7.3534 -7.3534 3.8221 3.8221 5.3943 5.3943 5.7366 5.7366 5.9879 5.9879 7.4291 7.4291 7.6685 7.6685 9.9144 9.9144 10.5183 10.5183 10.9036 10.9036 12.5719 12.5719 12.8927 12.8927 20.3654 20.3654 22.0182 22.0182 k = 0.5272-0.7575-0.4629 ( 3810 PWs) bands (ev): -81.0217 -81.0217 -46.7196 -46.7196 -45.0185 -45.0185 -44.9512 -44.9512 -33.7089 -33.7089 -7.5462 -7.5462 -7.3539 -7.3539 3.8213 3.8213 5.3766 5.3766 5.7563 5.7563 5.9888 5.9888 7.4303 7.4303 7.6668 7.6668 9.9131 9.9131 10.5184 10.5184 10.9034 10.9034 12.5734 12.5734 12.8941 12.8941 20.3437 20.3437 22.0378 22.0378 k = 0.5409-0.7510-0.4590 ( 3814 PWs) bands (ev): -81.0218 -81.0218 -46.7196 -46.7196 -45.0185 -45.0185 -44.9512 -44.9512 -33.7089 -33.7089 -7.5453 -7.5453 -7.3549 -7.3549 3.8198 3.8198 5.3508 5.3508 5.7854 5.7854 5.9904 5.9904 7.4322 7.4322 7.6639 7.6639 9.9110 9.9110 10.5185 10.5185 10.9031 10.9031 12.5759 12.5759 12.8963 12.8963 20.3086 20.3086 22.0692 22.0692 k = 0.5545-0.7446-0.4550 ( 3812 PWs) bands (ev): -81.0218 -81.0218 -46.7196 -46.7196 -45.0185 -45.0185 -44.9512 -44.9512 -33.7089 -33.7089 -7.5441 -7.5441 -7.3562 -7.3562 3.8178 3.8178 5.3199 5.3199 5.8210 5.8210 5.9927 5.9927 7.4349 7.4349 7.6600 7.6600 9.9081 9.9081 10.5187 10.5187 10.9027 10.9027 12.5794 12.5794 12.8995 12.8995 20.2620 20.2620 22.1106 22.1106 k = 0.5681-0.7382-0.4511 ( 3812 PWs) bands (ev): -81.0218 -81.0218 -46.7196 -46.7196 -45.0185 -45.0185 -44.9512 -44.9512 -33.7089 -33.7089 -7.5425 -7.5425 -7.3580 -7.3580 3.8152 3.8152 5.2860 5.2860 5.8607 5.8607 5.9955 5.9955 7.4382 7.4382 7.6550 7.6550 9.9044 9.9044 10.5189 10.5189 10.9022 10.9022 12.5839 12.5839 12.9035 12.9035 20.2056 20.2056 22.1601 22.1601 k = 0.5817-0.7317-0.4472 ( 3814 PWs) bands (ev): -81.0218 -81.0218 -46.7196 -46.7196 -45.0185 -45.0185 -44.9512 -44.9512 -33.7089 -33.7089 -7.5406 -7.5406 -7.3601 -7.3601 3.8122 3.8122 5.2506 5.2506 5.9032 5.9032 5.9990 5.9990 7.4422 7.4422 7.6490 7.6490 9.8999 9.8999 10.5192 10.5192 10.9016 10.9016 12.5894 12.5894 12.9083 12.9083 20.1413 20.1413 22.2158 22.2158 k = 0.5953-0.7253-0.4432 ( 3813 PWs) bands (ev): -81.0218 -81.0218 -46.7196 -46.7196 -45.0185 -45.0185 -44.9512 -44.9512 -33.7089 -33.7089 -7.5384 -7.5384 -7.3626 -7.3626 3.8087 3.8087 5.2146 5.2146 5.9472 5.9472 6.0033 6.0033 7.4469 7.4469 7.6420 7.6420 9.8946 9.8946 10.5195 10.5195 10.9009 10.9009 12.5959 12.5959 12.9139 12.9139 20.0707 20.0707 22.2757 22.2757 k = 0.6090-0.7189-0.4393 ( 3821 PWs) bands (ev): -81.0218 -81.0218 -46.7196 -46.7196 -45.0185 -45.0185 -44.9512 -44.9512 -33.7089 -33.7089 -7.5358 -7.5358 -7.3654 -7.3654 3.8048 3.8048 5.1784 5.1784 5.9906 5.9906 6.0101 6.0101 7.4520 7.4520 7.6341 7.6341 9.8886 9.8886 10.5199 10.5199 10.9001 10.9001 12.6034 12.6034 12.9202 12.9202 19.9954 19.9954 22.3384 22.3384 k = 0.6226-0.7124-0.4354 ( 3821 PWs) bands (ev): -81.0218 -81.0218 -46.7195 -46.7195 -45.0185 -45.0185 -44.9512 -44.9512 -33.7089 -33.7089 -7.5329 -7.5329 -7.3686 -7.3686 3.8006 3.8006 5.1426 5.1426 6.0100 6.0100 6.0419 6.0419 7.4576 7.4576 7.6254 7.6254 9.8819 9.8819 10.5203 10.5203 10.8992 10.8992 12.6118 12.6118 12.9271 12.9271 19.9165 19.9165 22.4022 22.4022 k = 0.6362-0.7060-0.4314 ( 3824 PWs) bands (ev): -81.0218 -81.0218 -46.7195 -46.7195 -45.0184 -45.0184 -44.9512 -44.9512 -33.7089 -33.7089 -7.5297 -7.5297 -7.3722 -7.3722 3.7960 3.7960 5.1074 5.1074 6.0165 6.0165 6.0877 6.0877 7.4635 7.4635 7.6160 7.6160 9.8745 9.8745 10.5207 10.5207 10.8983 10.8983 12.6213 12.6213 12.9346 12.9346 19.8352 19.8352 22.4659 22.4659 k = 0.6498-0.6996-0.4275 ( 3826 PWs) bands (ev): -81.0218 -81.0218 -46.7195 -46.7195 -45.0184 -45.0184 -44.9512 -44.9512 -33.7090 -33.7090 -7.5262 -7.5262 -7.3761 -7.3761 3.7913 3.7913 5.0730 5.0730 6.0226 6.0226 6.1342 6.1342 7.4697 7.4697 7.6059 7.6059 9.8666 9.8666 10.5212 10.5212 10.8972 10.8972 12.6316 12.6316 12.9427 12.9427 19.7523 19.7523 22.5282 22.5282 k = 0.6634-0.6931-0.4236 ( 3832 PWs) bands (ev): -81.0218 -81.0218 -46.7195 -46.7195 -45.0184 -45.0184 -44.9512 -44.9512 -33.7090 -33.7090 -7.5224 -7.5224 -7.3803 -7.3803 3.7863 3.7863 5.0396 5.0396 6.0290 6.0290 6.1807 6.1807 7.4761 7.4761 7.5954 7.5954 9.8580 9.8580 10.5217 10.5217 10.8961 10.8961 12.6429 12.6429 12.9512 12.9512 19.6685 19.6685 22.5879 22.5879 k = 0.6771-0.6867-0.4196 ( 3834 PWs) bands (ev): -81.0218 -81.0218 -46.7195 -46.7195 -45.0184 -45.0184 -44.9512 -44.9512 -33.7090 -33.7090 -7.5183 -7.5183 -7.3849 -7.3849 3.7813 3.7813 5.0072 5.0072 6.0357 6.0357 6.2268 6.2268 7.4824 7.4824 7.5844 7.5844 9.8490 9.8490 10.5222 10.5222 10.8949 10.8949 12.6550 12.6550 12.9600 12.9600 19.5845 19.5845 22.6441 22.6441 k = 0.6907-0.6802-0.4157 ( 3833 PWs) bands (ev): -81.0218 -81.0218 -46.7195 -46.7195 -45.0183 -45.0183 -44.9512 -44.9512 -33.7090 -33.7090 -7.5140 -7.5140 -7.3898 -7.3898 3.7762 3.7762 4.9760 4.9760 6.0426 6.0426 6.2724 6.2724 7.4886 7.4886 7.5734 7.5734 9.8396 9.8396 10.5227 10.5227 10.8937 10.8937 12.6680 12.6680 12.9691 12.9691 19.5008 19.5008 22.6954 22.6954 k = 0.7043-0.6738-0.4118 ( 3837 PWs) bands (ev): -81.0218 -81.0218 -46.7195 -46.7195 -45.0183 -45.0183 -44.9513 -44.9513 -33.7090 -33.7090 -7.5093 -7.5093 -7.3951 -7.3951 3.7712 3.7712 4.9460 4.9460 6.0498 6.0498 6.3171 6.3171 7.4944 7.4944 7.5625 7.5625 9.8299 9.8299 10.5232 10.5232 10.8924 10.8924 12.6817 12.6817 12.9784 12.9784 19.4179 19.4179 22.7409 22.7409 k = 0.7179-0.6674-0.4078 ( 3837 PWs) bands (ev): -81.0218 -81.0218 -46.7195 -46.7195 -45.0183 -45.0183 -44.9512 -44.9512 -33.7091 -33.7091 -7.5045 -7.5045 -7.4006 -7.4006 3.7663 3.7663 4.9173 4.9173 6.0571 6.0571 6.3607 6.3607 7.4991 7.4991 7.5523 7.5523 9.8199 9.8199 10.5237 10.5237 10.8912 10.8912 12.6962 12.6962 12.9878 12.9878 19.3363 19.3363 22.7792 22.7792 k = 0.7315-0.6609-0.4039 ( 3833 PWs) bands (ev): -81.0218 -81.0218 -46.7194 -46.7194 -45.0182 -45.0182 -44.9512 -44.9512 -33.7091 -33.7091 -7.4993 -7.4993 -7.4064 -7.4064 3.7616 3.7616 4.8901 4.8901 6.0646 6.0646 6.4030 6.4030 7.5018 7.5018 7.5440 7.5440 9.8098 9.8098 10.5242 10.5242 10.8899 10.8899 12.7113 12.7113 12.9972 12.9972 19.2563 19.2563 22.8096 22.8096 k = 0.7452-0.6545-0.4000 ( 3828 PWs) bands (ev): -81.0218 -81.0218 -46.7194 -46.7194 -45.0182 -45.0182 -44.9512 -44.9512 -33.7091 -33.7091 -7.4940 -7.4940 -7.4125 -7.4125 3.7571 3.7571 4.8642 4.8642 6.0721 6.0721 6.4439 6.4439 7.5007 7.5007 7.5393 7.5393 9.7997 9.7997 10.5247 10.5247 10.8886 10.8886 12.7270 12.7270 13.0065 13.0065 19.1782 19.1782 22.8316 22.8316 k = 0.7588-0.6481-0.3960 ( 3828 PWs) bands (ev): -81.0218 -81.0218 -46.7194 -46.7194 -45.0182 -45.0182 -44.9512 -44.9512 -33.7091 -33.7091 -7.4885 -7.4885 -7.4189 -7.4189 3.7529 3.7529 4.8398 4.8398 6.0796 6.0796 6.4830 6.4830 7.4952 7.4952 7.5389 7.5389 9.7897 9.7897 10.5252 10.5252 10.8873 10.8873 12.7432 12.7432 13.0157 13.0157 19.1025 19.1025 22.8461 22.8461 k = 0.7724-0.6416-0.3921 ( 3827 PWs) bands (ev): -81.0218 -81.0218 -46.7194 -46.7194 -45.0181 -45.0181 -44.9512 -44.9512 -33.7091 -33.7091 -7.4827 -7.4827 -7.4255 -7.4255 3.7491 3.7491 4.8169 4.8169 6.0870 6.0870 6.5202 6.5202 7.4867 7.4867 7.5415 7.5415 9.7798 9.7798 10.5257 10.5257 10.8860 10.8860 12.7597 12.7597 13.0246 13.0246 19.0293 19.0293 22.8543 22.8543 k = 0.7860-0.6352-0.3882 ( 3830 PWs) bands (ev): -81.0218 -81.0218 -46.7194 -46.7194 -45.0181 -45.0181 -44.9512 -44.9512 -33.7092 -33.7092 -7.4768 -7.4768 -7.4324 -7.4324 3.7457 3.7457 4.7956 4.7956 6.0942 6.0942 6.5553 6.5553 7.4770 7.4770 7.5454 7.5454 9.7703 9.7703 10.5262 10.5262 10.8848 10.8848 12.7765 12.7765 13.0332 13.0332 18.9591 18.9591 22.8580 22.8580 k = 0.7996-0.6288-0.3842 ( 3830 PWs) bands (ev): -81.0218 -81.0218 -46.7193 -46.7193 -45.0180 -45.0180 -44.9512 -44.9512 -33.7092 -33.7092 -7.4708 -7.4708 -7.4394 -7.4394 3.7428 3.7428 4.7758 4.7758 6.1012 6.1012 6.5878 6.5878 7.4670 7.4670 7.5497 7.5497 9.7612 9.7612 10.5267 10.5267 10.8837 10.8837 12.7934 12.7934 13.0413 13.0413 18.8919 18.8919 22.8588 22.8588 k = 0.8133-0.6223-0.3803 ( 3832 PWs) bands (ev): -81.0218 -81.0218 -46.7193 -46.7193 -45.0180 -45.0180 -44.9512 -44.9512 -33.7092 -33.7092 -7.4646 -7.4646 -7.4467 -7.4467 3.7404 3.7404 4.7577 4.7577 6.1078 6.1078 6.6178 6.6178 7.4572 7.4572 7.5542 7.5542 9.7526 9.7526 10.5271 10.5271 10.8826 10.8826 12.8104 12.8104 13.0490 13.0490 18.8283 18.8283 22.8578 22.8578 Writing output data file LiCoO2.save init_run : 0.19s CPU 0.33s WALL ( 1 calls) electrons : 183.69s CPU 186.73s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 183.68s CPU 186.72s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.02s CPU 0.01s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.08s WALL ( 429 calls) cegterg : 165.96s CPU 167.52s WALL ( 580 calls) Called by sum_band: Called by *egterg: h_psi : 134.95s CPU 136.52s WALL ( 8875 calls) s_psi : 1.05s CPU 1.15s WALL ( 8875 calls) g_psi : 0.22s CPU 0.18s WALL ( 7866 calls) cdiaghg : 35.81s CPU 35.94s WALL ( 8295 calls) cegterg:over : 3.67s CPU 3.62s WALL ( 7866 calls) cegterg:upda : 2.77s CPU 2.81s WALL ( 7866 calls) cegterg:last : 1.68s CPU 1.85s WALL ( 1438 calls) cdiaghg:chol : 1.91s CPU 1.91s WALL ( 8295 calls) cdiaghg:inve : 0.91s CPU 0.91s WALL ( 8295 calls) cdiaghg:para : 2.21s CPU 2.15s WALL ( 16590 calls) Called by h_psi: h_psi:vloc : 129.95s CPU 131.53s WALL ( 8875 calls) h_psi:vnl : 4.86s CPU 4.83s WALL ( 8875 calls) add_vuspsi : 2.20s CPU 2.26s WALL ( 8875 calls) General routines calbec : 2.63s CPU 2.55s WALL ( 8875 calls) fft : 0.00s CPU 0.01s WALL ( 15 calls) fftw : 123.07s CPU 124.47s WALL ( 693148 calls) davcio : 0.14s CPU 0.21s WALL ( 858 calls) Parallel routines fft_scatter : 28.96s CPU 29.11s WALL ( 693163 calls) PWSCF : 3m20.69s CPU 4m 6.15s WALL This run was terminated on: 17:32:42 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=