Program PWSCF v.5.4.0 starts on 11Feb2017 at 14:56: 1 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 & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 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: ./Be5Fe.save/ file Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized file Be.rel-pbe-s-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group 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 102 38 11 4154 934 141 Max 103 39 12 4160 960 145 Sum 3697 1393 397 149629 34015 5161 bravais-lattice index = 14 lattice parameter (alat) = 7.8785 a.u. unit-cell volume = 345.7872 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 28.00 number of Kohn-Sham states= 36 kinetic-energy cutoff = 81.0000 Ry charge density cutoff = 871.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.878460 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.500000 celldm(5)= 0.500000 celldm(6)= 0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.500000 0.866025 0.000000 ) a(3) = ( 0.500000 0.288675 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.577350 -0.408248 ) b(2) = ( 0.000000 1.154701 -0.408248 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 for Fe read from file: /users/gautes/Pseudo/Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1f786298b0c3f78d6037ec413201e537 Pseudo is Ultrasoft + core correction, Zval = 8.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1191 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Be read from file: /users/gautes/Pseudo/Be.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 56f92c253d4d86db330921f37562b9e7 Pseudo is Ultrasoft, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1041 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Fe 8.00 55.84500 Fe( 1.00) Be 4.00 9.01220 Be( 1.00) 6 Sym. Ops. (no 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 = 2 120 deg rotation - cryst. axis [0,0,1] cryst. s( 2) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 2) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 3) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 3) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 5) = ( 0.5000000 0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s( 6) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_3v (3m) there are 6 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3s_v -3s_v G_4 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6 1.00 -1.00 -1.00 1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3s_v -3s_v G_4 0.00 0.00 0.00 0.00 0.00 0.00 G_5 0.00 0.00 0.00 0.00 1.00 -1.00 G_6 0.00 0.00 0.00 0.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 2 3 120 deg rotation - cryst. axis [0,0,1] -2C3 -2 -3 120 deg rotation - cryst. axis [0,0,1] E 3s_v 4 5 -6 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 6 -4 -5 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 356 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 2) = ( 0.0092593 -0.0053458 0.0075602), wk = 0.0028090 k( 3) = ( 0.0185185 -0.0106917 0.0151203), wk = 0.0028090 k( 4) = ( 0.0277778 -0.0160375 0.0226805), wk = 0.0028090 k( 5) = ( 0.0370370 -0.0213833 0.0302406), wk = 0.0028090 k( 6) = ( 0.0462963 -0.0267292 0.0378008), wk = 0.0028090 k( 7) = ( 0.0555556 -0.0320750 0.0453609), wk = 0.0028090 k( 8) = ( 0.0648148 -0.0374208 0.0529211), wk = 0.0028090 k( 9) = ( 0.0740741 -0.0427667 0.0604812), wk = 0.0028090 k( 10) = ( 0.0833333 -0.0481125 0.0680414), wk = 0.0028090 k( 11) = ( 0.0925926 -0.0534584 0.0756015), wk = 0.0028090 k( 12) = ( 0.1018518 -0.0588042 0.0831617), wk = 0.0028090 k( 13) = ( 0.1111111 -0.0641500 0.0907218), wk = 0.0028090 k( 14) = ( 0.1203704 -0.0694959 0.0982820), wk = 0.0028090 k( 15) = ( 0.1296296 -0.0748417 0.1058421), wk = 0.0028090 k( 16) = ( 0.1388889 -0.0801875 0.1134023), wk = 0.0028090 k( 17) = ( 0.1481482 -0.0855334 0.1209625), wk = 0.0028090 k( 18) = ( 0.1574074 -0.0908792 0.1285226), wk = 0.0028090 k( 19) = ( 0.1666667 -0.0962250 0.1360828), wk = 0.0028090 k( 20) = ( 0.1759259 -0.1015709 0.1436429), wk = 0.0028090 k( 21) = ( 0.1851852 -0.1069167 0.1512031), wk = 0.0028090 k( 22) = ( 0.1944444 -0.1122625 0.1587632), wk = 0.0028090 k( 23) = ( 0.2037037 -0.1176084 0.1663234), wk = 0.0028090 k( 24) = ( 0.2129630 -0.1229542 0.1738835), wk = 0.0028090 k( 25) = ( 0.2222222 -0.1283001 0.1814437), wk = 0.0028090 k( 26) = ( 0.2314815 -0.1336459 0.1890038), wk = 0.0028090 k( 27) = ( 0.2407407 -0.1389917 0.1965640), wk = 0.0028090 k( 28) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0028090 k( 29) = ( 0.2592593 -0.1496834 0.2116843), wk = 0.0028090 k( 30) = ( 0.2685185 -0.1550292 0.2192445), wk = 0.0028090 k( 31) = ( 0.2777778 -0.1603751 0.2268046), wk = 0.0028090 k( 32) = ( 0.2870370 -0.1657209 0.2343648), wk = 0.0028090 k( 33) = ( 0.2962963 -0.1710667 0.2419249), wk = 0.0028090 k( 34) = ( 0.3055556 -0.1764126 0.2494851), wk = 0.0028090 k( 35) = ( 0.3148148 -0.1817584 0.2570452), wk = 0.0028090 k( 36) = ( 0.3240741 -0.1871043 0.2646054), wk = 0.0028090 k( 37) = ( 0.3333333 -0.1924501 0.2721655), wk = 0.0028090 k( 38) = ( 0.3425926 -0.1977959 0.2797257), wk = 0.0028090 k( 39) = ( 0.3518519 -0.2031418 0.2872858), wk = 0.0028090 k( 40) = ( 0.3611111 -0.2084876 0.2948460), wk = 0.0028090 k( 41) = ( 0.3703704 -0.2138334 0.3024061), wk = 0.0028090 k( 42) = ( 0.3796296 -0.2191793 0.3099663), wk = 0.0028090 k( 43) = ( 0.3888889 -0.2245251 0.3175264), wk = 0.0028090 k( 44) = ( 0.3981481 -0.2298709 0.3250866), wk = 0.0028090 k( 45) = ( 0.4074074 -0.2352168 0.3326468), wk = 0.0028090 k( 46) = ( 0.4166667 -0.2405626 0.3402069), wk = 0.0028090 k( 47) = ( 0.4259259 -0.2459085 0.3477671), wk = 0.0028090 k( 48) = ( 0.4351852 -0.2512543 0.3553272), wk = 0.0028090 k( 49) = ( 0.4444444 -0.2566001 0.3628874), wk = 0.0028090 k( 50) = ( 0.4537037 -0.2619460 0.3704475), wk = 0.0028090 k( 51) = ( 0.4629630 -0.2672918 0.3780077), wk = 0.0028090 k( 52) = ( 0.4722222 -0.2726376 0.3855678), wk = 0.0028090 k( 53) = ( 0.4814815 -0.2779835 0.3931280), wk = 0.0028090 k( 54) = ( 0.4907407 -0.2833293 0.4006881), wk = 0.0028090 k( 55) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0028090 k( 56) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0028090 k( 57) = ( 0.5000000 -0.2779835 0.4158084), wk = 0.0028090 k( 58) = ( 0.5000000 -0.2672918 0.4233686), wk = 0.0028090 k( 59) = ( 0.5000000 -0.2566001 0.4309288), wk = 0.0028090 k( 60) = ( 0.5000000 -0.2459084 0.4384889), wk = 0.0028090 k( 61) = ( 0.5000000 -0.2352168 0.4460491), wk = 0.0028090 k( 62) = ( 0.5000000 -0.2245251 0.4536092), wk = 0.0028090 k( 63) = ( 0.5000000 -0.2138334 0.4611694), wk = 0.0028090 k( 64) = ( 0.5000000 -0.2031418 0.4687295), wk = 0.0028090 k( 65) = ( 0.5000000 -0.1924501 0.4762897), wk = 0.0028090 k( 66) = ( 0.5000000 -0.1817584 0.4838498), wk = 0.0028090 k( 67) = ( 0.5000000 -0.1710667 0.4914100), wk = 0.0028090 k( 68) = ( 0.5000000 -0.1603751 0.4989701), wk = 0.0028090 k( 69) = ( 0.5000000 -0.1496834 0.5065303), wk = 0.0028090 k( 70) = ( 0.5000000 -0.1389917 0.5140904), wk = 0.0028090 k( 71) = ( 0.5000000 -0.1283001 0.5216506), wk = 0.0028090 k( 72) = ( 0.5000000 -0.1176084 0.5292107), wk = 0.0028090 k( 73) = ( 0.5000000 -0.1069167 0.5367709), wk = 0.0028090 k( 74) = ( 0.5000000 -0.0962250 0.5443311), wk = 0.0028090 k( 75) = ( 0.5000000 -0.0855334 0.5518912), wk = 0.0028090 k( 76) = ( 0.5000000 -0.0748417 0.5594514), wk = 0.0028090 k( 77) = ( 0.5000000 -0.0641500 0.5670115), wk = 0.0028090 k( 78) = ( 0.5000000 -0.0534584 0.5745717), wk = 0.0028090 k( 79) = ( 0.5000000 -0.0427667 0.5821318), wk = 0.0028090 k( 80) = ( 0.5000000 -0.0320750 0.5896920), wk = 0.0028090 k( 81) = ( 0.5000000 -0.0213833 0.5972521), wk = 0.0028090 k( 82) = ( 0.5000000 -0.0106917 0.6048123), wk = 0.0028090 k( 83) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0028090 k( 84) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0028090 k( 85) = ( 0.4934211 0.0113951 0.6123724), wk = 0.0028090 k( 86) = ( 0.4868421 0.0227901 0.6123724), wk = 0.0028090 k( 87) = ( 0.4802632 0.0341852 0.6123724), wk = 0.0028090 k( 88) = ( 0.4736842 0.0455803 0.6123724), wk = 0.0028090 k( 89) = ( 0.4671053 0.0569754 0.6123724), wk = 0.0028090 k( 90) = ( 0.4605263 0.0683704 0.6123724), wk = 0.0028090 k( 91) = ( 0.4539474 0.0797655 0.6123724), wk = 0.0028090 k( 92) = ( 0.4473684 0.0911606 0.6123724), wk = 0.0028090 k( 93) = ( 0.4407895 0.1025556 0.6123724), wk = 0.0028090 k( 94) = ( 0.4342105 0.1139507 0.6123724), wk = 0.0028090 k( 95) = ( 0.4276316 0.1253458 0.6123724), wk = 0.0028090 k( 96) = ( 0.4210526 0.1367409 0.6123724), wk = 0.0028090 k( 97) = ( 0.4144737 0.1481359 0.6123724), wk = 0.0028090 k( 98) = ( 0.4078947 0.1595310 0.6123724), wk = 0.0028090 k( 99) = ( 0.4013158 0.1709261 0.6123724), wk = 0.0028090 k( 100) = ( 0.3947368 0.1823211 0.6123724), wk = 0.0028090 k( 101) = ( 0.3881579 0.1937162 0.6123724), wk = 0.0028090 k( 102) = ( 0.3815789 0.2051113 0.6123724), wk = 0.0028090 k( 103) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0028090 k( 104) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0028090 k( 105) = ( 0.3684211 0.2127080 0.6016291), wk = 0.0028090 k( 106) = ( 0.3618421 0.2089096 0.5908857), wk = 0.0028090 k( 107) = ( 0.3552632 0.2051113 0.5801423), wk = 0.0028090 k( 108) = ( 0.3486842 0.2013129 0.5693989), wk = 0.0028090 k( 109) = ( 0.3421053 0.1975146 0.5586556), wk = 0.0028090 k( 110) = ( 0.3355263 0.1937162 0.5479122), wk = 0.0028090 k( 111) = ( 0.3289474 0.1899179 0.5371688), wk = 0.0028090 k( 112) = ( 0.3223684 0.1861195 0.5264254), wk = 0.0028090 k( 113) = ( 0.3157895 0.1823211 0.5156821), wk = 0.0028090 k( 114) = ( 0.3092105 0.1785228 0.5049387), wk = 0.0028090 k( 115) = ( 0.3026316 0.1747244 0.4941953), wk = 0.0028090 k( 116) = ( 0.2960526 0.1709261 0.4834519), wk = 0.0028090 k( 117) = ( 0.2894737 0.1671277 0.4727086), wk = 0.0028090 k( 118) = ( 0.2828947 0.1633294 0.4619652), wk = 0.0028090 k( 119) = ( 0.2763158 0.1595310 0.4512218), wk = 0.0028090 k( 120) = ( 0.2697368 0.1557326 0.4404784), wk = 0.0028090 k( 121) = ( 0.2631579 0.1519343 0.4297350), wk = 0.0028090 k( 122) = ( 0.2565789 0.1481359 0.4189917), wk = 0.0028090 k( 123) = ( 0.2500000 0.1443376 0.4082483), wk = 0.0028090 k( 124) = ( 0.2434210 0.1405392 0.3975049), wk = 0.0028090 k( 125) = ( 0.2368421 0.1367409 0.3867615), wk = 0.0028090 k( 126) = ( 0.2302632 0.1329425 0.3760182), wk = 0.0028090 k( 127) = ( 0.2236842 0.1291441 0.3652748), wk = 0.0028090 k( 128) = ( 0.2171053 0.1253458 0.3545314), wk = 0.0028090 k( 129) = ( 0.2105263 0.1215474 0.3437880), wk = 0.0028090 k( 130) = ( 0.2039474 0.1177491 0.3330447), wk = 0.0028090 k( 131) = ( 0.1973684 0.1139507 0.3223013), wk = 0.0028090 k( 132) = ( 0.1907895 0.1101524 0.3115579), wk = 0.0028090 k( 133) = ( 0.1842105 0.1063540 0.3008145), wk = 0.0028090 k( 134) = ( 0.1776316 0.1025556 0.2900712), wk = 0.0028090 k( 135) = ( 0.1710526 0.0987573 0.2793278), wk = 0.0028090 k( 136) = ( 0.1644737 0.0949589 0.2685844), wk = 0.0028090 k( 137) = ( 0.1578947 0.0911606 0.2578410), wk = 0.0028090 k( 138) = ( 0.1513158 0.0873622 0.2470977), wk = 0.0028090 k( 139) = ( 0.1447368 0.0835639 0.2363543), wk = 0.0028090 k( 140) = ( 0.1381579 0.0797655 0.2256109), wk = 0.0028090 k( 141) = ( 0.1315790 0.0759671 0.2148675), wk = 0.0028090 k( 142) = ( 0.1250000 0.0721688 0.2041241), wk = 0.0028090 k( 143) = ( 0.1184210 0.0683704 0.1933808), wk = 0.0028090 k( 144) = ( 0.1118421 0.0645721 0.1826374), wk = 0.0028090 k( 145) = ( 0.1052632 0.0607737 0.1718940), wk = 0.0028090 k( 146) = ( 0.0986842 0.0569754 0.1611506), wk = 0.0028090 k( 147) = ( 0.0921053 0.0531770 0.1504073), wk = 0.0028090 k( 148) = ( 0.0855263 0.0493786 0.1396639), wk = 0.0028090 k( 149) = ( 0.0789474 0.0455803 0.1289205), wk = 0.0028090 k( 150) = ( 0.0723684 0.0417819 0.1181771), wk = 0.0028090 k( 151) = ( 0.0657895 0.0379836 0.1074338), wk = 0.0028090 k( 152) = ( 0.0592105 0.0341852 0.0966904), wk = 0.0028090 k( 153) = ( 0.0526316 0.0303869 0.0859470), wk = 0.0028090 k( 154) = ( 0.0460526 0.0265885 0.0752036), wk = 0.0028090 k( 155) = ( 0.0394737 0.0227901 0.0644603), wk = 0.0028090 k( 156) = ( 0.0328947 0.0189918 0.0537169), wk = 0.0028090 k( 157) = ( 0.0263158 0.0151934 0.0429735), wk = 0.0028090 k( 158) = ( 0.0197368 0.0113951 0.0322301), wk = 0.0028090 k( 159) = ( 0.0131579 0.0075967 0.0214868), wk = 0.0028090 k( 160) = ( 0.0065790 0.0037984 0.0107434), wk = 0.0028090 k( 161) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 162) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 163) = ( 0.0106383 0.0061420 0.0043431), wk = 0.0028090 k( 164) = ( 0.0212766 0.0122841 0.0086861), wk = 0.0028090 k( 165) = ( 0.0319149 0.0184261 0.0130292), wk = 0.0028090 k( 166) = ( 0.0425532 0.0245681 0.0173723), wk = 0.0028090 k( 167) = ( 0.0531915 0.0307101 0.0217153), wk = 0.0028090 k( 168) = ( 0.0638298 0.0368521 0.0260584), wk = 0.0028090 k( 169) = ( 0.0744681 0.0429942 0.0304015), wk = 0.0028090 k( 170) = ( 0.0851064 0.0491362 0.0347445), wk = 0.0028090 k( 171) = ( 0.0957447 0.0552782 0.0390876), wk = 0.0028090 k( 172) = ( 0.1063830 0.0614202 0.0434307), wk = 0.0028090 k( 173) = ( 0.1170213 0.0675623 0.0477737), wk = 0.0028090 k( 174) = ( 0.1276596 0.0737043 0.0521168), wk = 0.0028090 k( 175) = ( 0.1382979 0.0798463 0.0564599), wk = 0.0028090 k( 176) = ( 0.1489362 0.0859883 0.0608029), wk = 0.0028090 k( 177) = ( 0.1595745 0.0921304 0.0651460), wk = 0.0028090 k( 178) = ( 0.1702128 0.0982724 0.0694891), wk = 0.0028090 k( 179) = ( 0.1808511 0.1044144 0.0738321), wk = 0.0028090 k( 180) = ( 0.1914894 0.1105564 0.0781752), wk = 0.0028090 k( 181) = ( 0.2021277 0.1166985 0.0825183), wk = 0.0028090 k( 182) = ( 0.2127660 0.1228405 0.0868613), wk = 0.0028090 k( 183) = ( 0.2234043 0.1289825 0.0912044), wk = 0.0028090 k( 184) = ( 0.2340425 0.1351245 0.0955475), wk = 0.0028090 k( 185) = ( 0.2446809 0.1412666 0.0998905), wk = 0.0028090 k( 186) = ( 0.2553191 0.1474086 0.1042336), wk = 0.0028090 k( 187) = ( 0.2659574 0.1535506 0.1085767), wk = 0.0028090 k( 188) = ( 0.2765957 0.1596926 0.1129197), wk = 0.0028090 k( 189) = ( 0.2872340 0.1658347 0.1172628), wk = 0.0028090 k( 190) = ( 0.2978723 0.1719767 0.1216059), wk = 0.0028090 k( 191) = ( 0.3085106 0.1781187 0.1259489), wk = 0.0028090 k( 192) = ( 0.3191489 0.1842607 0.1302920), wk = 0.0028090 k( 193) = ( 0.3297872 0.1904027 0.1346351), wk = 0.0028090 k( 194) = ( 0.3404255 0.1965448 0.1389781), wk = 0.0028090 k( 195) = ( 0.3510638 0.2026868 0.1433212), wk = 0.0028090 k( 196) = ( 0.3617021 0.2088288 0.1476643), wk = 0.0028090 k( 197) = ( 0.3723404 0.2149708 0.1520073), wk = 0.0028090 k( 198) = ( 0.3829787 0.2211129 0.1563504), wk = 0.0028090 k( 199) = ( 0.3936170 0.2272549 0.1606935), wk = 0.0028090 k( 200) = ( 0.4042553 0.2333969 0.1650365), wk = 0.0028090 k( 201) = ( 0.4148936 0.2395389 0.1693796), wk = 0.0028090 k( 202) = ( 0.4255319 0.2456810 0.1737227), wk = 0.0028090 k( 203) = ( 0.4361702 0.2518230 0.1780657), wk = 0.0028090 k( 204) = ( 0.4468085 0.2579650 0.1824088), wk = 0.0028090 k( 205) = ( 0.4574468 0.2641070 0.1867519), wk = 0.0028090 k( 206) = ( 0.4680851 0.2702491 0.1910949), wk = 0.0028090 k( 207) = ( 0.4787234 0.2763911 0.1954380), wk = 0.0028090 k( 208) = ( 0.4893617 0.2825331 0.1997811), wk = 0.0028090 k( 209) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028090 k( 210) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028090 k( 211) = ( 0.5037879 0.2777405 0.2103097), wk = 0.0028090 k( 212) = ( 0.5075758 0.2668058 0.2164953), wk = 0.0028090 k( 213) = ( 0.5113636 0.2558711 0.2226809), wk = 0.0028090 k( 214) = ( 0.5151515 0.2449365 0.2288665), wk = 0.0028090 k( 215) = ( 0.5189394 0.2340018 0.2350520), wk = 0.0028090 k( 216) = ( 0.5227273 0.2230671 0.2412376), wk = 0.0028090 k( 217) = ( 0.5265152 0.2121325 0.2474232), wk = 0.0028090 k( 218) = ( 0.5303030 0.2011978 0.2536088), wk = 0.0028090 k( 219) = ( 0.5340909 0.1902632 0.2597944), wk = 0.0028090 k( 220) = ( 0.5378788 0.1793285 0.2659800), wk = 0.0028090 k( 221) = ( 0.5416667 0.1683938 0.2721655), wk = 0.0028090 k( 222) = ( 0.5454545 0.1574592 0.2783511), wk = 0.0028090 k( 223) = ( 0.5492424 0.1465245 0.2845367), wk = 0.0028090 k( 224) = ( 0.5530303 0.1355898 0.2907223), wk = 0.0028090 k( 225) = ( 0.5568182 0.1246552 0.2969078), wk = 0.0028090 k( 226) = ( 0.5606061 0.1137205 0.3030934), wk = 0.0028090 k( 227) = ( 0.5643939 0.1027858 0.3092790), wk = 0.0028090 k( 228) = ( 0.5681818 0.0918512 0.3154646), wk = 0.0028090 k( 229) = ( 0.5719697 0.0809165 0.3216502), wk = 0.0028090 k( 230) = ( 0.5757576 0.0699819 0.3278358), wk = 0.0028090 k( 231) = ( 0.5795455 0.0590472 0.3340213), wk = 0.0028090 k( 232) = ( 0.5833333 0.0481125 0.3402069), wk = 0.0028090 k( 233) = ( 0.5871212 0.0371779 0.3463925), wk = 0.0028090 k( 234) = ( 0.5909091 0.0262432 0.3525781), wk = 0.0028090 k( 235) = ( 0.5946970 0.0153085 0.3587636), wk = 0.0028090 k( 236) = ( 0.5984848 0.0043739 0.3649492), wk = 0.0028090 k( 237) = ( 0.6022727 -0.0065608 0.3711348), wk = 0.0028090 k( 238) = ( 0.6060606 -0.0174955 0.3773204), wk = 0.0028090 k( 239) = ( 0.6098485 -0.0284301 0.3835060), wk = 0.0028090 k( 240) = ( 0.6136364 -0.0393648 0.3896915), wk = 0.0028090 k( 241) = ( 0.6174242 -0.0502994 0.3958771), wk = 0.0028090 k( 242) = ( 0.6212121 -0.0612341 0.4020627), wk = 0.0028090 k( 243) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0028090 k( 244) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0028090 k( 245) = ( 0.6184211 -0.0683704 0.4189917), wk = 0.0028090 k( 246) = ( 0.6118421 -0.0645721 0.4297350), wk = 0.0028090 k( 247) = ( 0.6052632 -0.0607737 0.4404784), wk = 0.0028090 k( 248) = ( 0.5986842 -0.0569754 0.4512218), wk = 0.0028090 k( 249) = ( 0.5921053 -0.0531770 0.4619652), wk = 0.0028090 k( 250) = ( 0.5855263 -0.0493786 0.4727085), wk = 0.0028090 k( 251) = ( 0.5789474 -0.0455803 0.4834519), wk = 0.0028090 k( 252) = ( 0.5723684 -0.0417819 0.4941953), wk = 0.0028090 k( 253) = ( 0.5657895 -0.0379836 0.5049387), wk = 0.0028090 k( 254) = ( 0.5592105 -0.0341852 0.5156820), wk = 0.0028090 k( 255) = ( 0.5526316 -0.0303869 0.5264254), wk = 0.0028090 k( 256) = ( 0.5460526 -0.0265885 0.5371688), wk = 0.0028090 k( 257) = ( 0.5394737 -0.0227901 0.5479122), wk = 0.0028090 k( 258) = ( 0.5328947 -0.0189918 0.5586556), wk = 0.0028090 k( 259) = ( 0.5263158 -0.0151934 0.5693989), wk = 0.0028090 k( 260) = ( 0.5197368 -0.0113951 0.5801423), wk = 0.0028090 k( 261) = ( 0.5131579 -0.0075967 0.5908857), wk = 0.0028090 k( 262) = ( 0.5065789 -0.0037984 0.6016291), wk = 0.0028090 k( 263) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0028090 k( 264) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0028090 k( 265) = ( 0.5000000 0.0075967 0.6016291), wk = 0.0028090 k( 266) = ( 0.5000000 0.0151934 0.5908857), wk = 0.0028090 k( 267) = ( 0.5000000 0.0227901 0.5801423), wk = 0.0028090 k( 268) = ( 0.5000000 0.0303869 0.5693989), wk = 0.0028090 k( 269) = ( 0.5000000 0.0379836 0.5586556), wk = 0.0028090 k( 270) = ( 0.5000000 0.0455803 0.5479122), wk = 0.0028090 k( 271) = ( 0.5000000 0.0531770 0.5371688), wk = 0.0028090 k( 272) = ( 0.5000000 0.0607737 0.5264254), wk = 0.0028090 k( 273) = ( 0.5000000 0.0683704 0.5156820), wk = 0.0028090 k( 274) = ( 0.5000000 0.0759671 0.5049387), wk = 0.0028090 k( 275) = ( 0.5000000 0.0835639 0.4941953), wk = 0.0028090 k( 276) = ( 0.5000000 0.0911606 0.4834519), wk = 0.0028090 k( 277) = ( 0.5000000 0.0987573 0.4727085), wk = 0.0028090 k( 278) = ( 0.5000000 0.1063540 0.4619652), wk = 0.0028090 k( 279) = ( 0.5000000 0.1139507 0.4512218), wk = 0.0028090 k( 280) = ( 0.5000000 0.1215474 0.4404784), wk = 0.0028090 k( 281) = ( 0.5000000 0.1291441 0.4297350), wk = 0.0028090 k( 282) = ( 0.5000000 0.1367409 0.4189917), wk = 0.0028090 k( 283) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0028090 k( 284) = ( 0.5000000 0.1519343 0.3975049), wk = 0.0028090 k( 285) = ( 0.5000000 0.1595310 0.3867615), wk = 0.0028090 k( 286) = ( 0.5000000 0.1671277 0.3760182), wk = 0.0028090 k( 287) = ( 0.5000000 0.1747244 0.3652748), wk = 0.0028090 k( 288) = ( 0.5000000 0.1823211 0.3545314), wk = 0.0028090 k( 289) = ( 0.5000000 0.1899178 0.3437880), wk = 0.0028090 k( 290) = ( 0.5000000 0.1975146 0.3330447), wk = 0.0028090 k( 291) = ( 0.5000000 0.2051113 0.3223013), wk = 0.0028090 k( 292) = ( 0.5000000 0.2127080 0.3115579), wk = 0.0028090 k( 293) = ( 0.5000000 0.2203047 0.3008145), wk = 0.0028090 k( 294) = ( 0.5000000 0.2279014 0.2900712), wk = 0.0028090 k( 295) = ( 0.5000000 0.2354981 0.2793278), wk = 0.0028090 k( 296) = ( 0.5000000 0.2430949 0.2685844), wk = 0.0028090 k( 297) = ( 0.5000000 0.2506916 0.2578410), wk = 0.0028090 k( 298) = ( 0.5000000 0.2582883 0.2470977), wk = 0.0028090 k( 299) = ( 0.5000000 0.2658850 0.2363543), wk = 0.0028090 k( 300) = ( 0.5000000 0.2734817 0.2256109), wk = 0.0028090 k( 301) = ( 0.5000000 0.2810784 0.2148675), wk = 0.0028090 k( 302) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028090 k( 303) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028090 k( 304) = ( 0.4962121 0.2864882 0.2164953), wk = 0.0028090 k( 305) = ( 0.4924242 0.2843013 0.2288665), wk = 0.0028090 k( 306) = ( 0.4886364 0.2821143 0.2412376), wk = 0.0028090 k( 307) = ( 0.4848485 0.2799274 0.2536088), wk = 0.0028090 k( 308) = ( 0.4810606 0.2777405 0.2659799), wk = 0.0028090 k( 309) = ( 0.4772727 0.2755535 0.2783511), wk = 0.0028090 k( 310) = ( 0.4734849 0.2733666 0.2907223), wk = 0.0028090 k( 311) = ( 0.4696970 0.2711797 0.3030934), wk = 0.0028090 k( 312) = ( 0.4659091 0.2689927 0.3154646), wk = 0.0028090 k( 313) = ( 0.4621212 0.2668058 0.3278358), wk = 0.0028090 k( 314) = ( 0.4583333 0.2646189 0.3402069), wk = 0.0028090 k( 315) = ( 0.4545455 0.2624319 0.3525781), wk = 0.0028090 k( 316) = ( 0.4507576 0.2602450 0.3649492), wk = 0.0028090 k( 317) = ( 0.4469697 0.2580581 0.3773204), wk = 0.0028090 k( 318) = ( 0.4431818 0.2558711 0.3896915), wk = 0.0028090 k( 319) = ( 0.4393939 0.2536842 0.4020627), wk = 0.0028090 k( 320) = ( 0.4356061 0.2514973 0.4144339), wk = 0.0028090 k( 321) = ( 0.4318182 0.2493103 0.4268050), wk = 0.0028090 k( 322) = ( 0.4280303 0.2471234 0.4391762), wk = 0.0028090 k( 323) = ( 0.4242424 0.2449365 0.4515474), wk = 0.0028090 k( 324) = ( 0.4204545 0.2427495 0.4639185), wk = 0.0028090 k( 325) = ( 0.4166667 0.2405626 0.4762897), wk = 0.0028090 k( 326) = ( 0.4128788 0.2383757 0.4886608), wk = 0.0028090 k( 327) = ( 0.4090909 0.2361887 0.5010320), wk = 0.0028090 k( 328) = ( 0.4053030 0.2340018 0.5134032), wk = 0.0028090 k( 329) = ( 0.4015151 0.2318149 0.5257743), wk = 0.0028090 k( 330) = ( 0.3977273 0.2296279 0.5381455), wk = 0.0028090 k( 331) = ( 0.3939394 0.2274410 0.5505166), wk = 0.0028090 k( 332) = ( 0.3901515 0.2252541 0.5628878), wk = 0.0028090 k( 333) = ( 0.3863636 0.2230672 0.5752590), wk = 0.0028090 k( 334) = ( 0.3825758 0.2208802 0.5876301), wk = 0.0028090 k( 335) = ( 0.3787879 0.2186933 0.6000013), wk = 0.0028090 k( 336) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0028090 k( 337) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0028090 k( 338) = ( 0.6184211 -0.0835638 0.4082483), wk = 0.0028090 k( 339) = ( 0.6118421 -0.0949589 0.4082483), wk = 0.0028090 k( 340) = ( 0.6052632 -0.1063540 0.4082483), wk = 0.0028090 k( 341) = ( 0.5986842 -0.1177491 0.4082483), wk = 0.0028090 k( 342) = ( 0.5921053 -0.1291441 0.4082483), wk = 0.0028090 k( 343) = ( 0.5855263 -0.1405392 0.4082483), wk = 0.0028090 k( 344) = ( 0.5789474 -0.1519343 0.4082483), wk = 0.0028090 k( 345) = ( 0.5723684 -0.1633294 0.4082483), wk = 0.0028090 k( 346) = ( 0.5657895 -0.1747244 0.4082483), wk = 0.0028090 k( 347) = ( 0.5592105 -0.1861195 0.4082483), wk = 0.0028090 k( 348) = ( 0.5526316 -0.1975146 0.4082483), wk = 0.0028090 k( 349) = ( 0.5460526 -0.2089096 0.4082483), wk = 0.0028090 k( 350) = ( 0.5394737 -0.2203047 0.4082483), wk = 0.0028090 k( 351) = ( 0.5328947 -0.2316998 0.4082483), wk = 0.0028090 k( 352) = ( 0.5263158 -0.2430948 0.4082483), wk = 0.0028090 k( 353) = ( 0.5197368 -0.2544899 0.4082483), wk = 0.0028090 k( 354) = ( 0.5131579 -0.2658850 0.4082483), wk = 0.0028090 k( 355) = ( 0.5065789 -0.2772801 0.4082483), wk = 0.0028090 k( 356) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0028090 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 2) = ( 0.0092593 -0.0000000 0.0092593), wk = 0.0028090 k( 3) = ( 0.0185185 -0.0000000 0.0185185), wk = 0.0028090 k( 4) = ( 0.0277778 0.0000000 0.0277778), wk = 0.0028090 k( 5) = ( 0.0370370 -0.0000000 0.0370370), wk = 0.0028090 k( 6) = ( 0.0462963 -0.0000000 0.0462963), wk = 0.0028090 k( 7) = ( 0.0555556 0.0000000 0.0555556), wk = 0.0028090 k( 8) = ( 0.0648148 -0.0000000 0.0648148), wk = 0.0028090 k( 9) = ( 0.0740741 0.0000000 0.0740741), wk = 0.0028090 k( 10) = ( 0.0833333 -0.0000000 0.0833333), wk = 0.0028090 k( 11) = ( 0.0925926 -0.0000000 0.0925926), wk = 0.0028090 k( 12) = ( 0.1018518 -0.0000000 0.1018518), wk = 0.0028090 k( 13) = ( 0.1111111 0.0000000 0.1111111), wk = 0.0028090 k( 14) = ( 0.1203704 -0.0000000 0.1203704), wk = 0.0028090 k( 15) = ( 0.1296296 -0.0000000 0.1296296), wk = 0.0028090 k( 16) = ( 0.1388889 -0.0000000 0.1388889), wk = 0.0028090 k( 17) = ( 0.1481482 -0.0000000 0.1481482), wk = 0.0028090 k( 18) = ( 0.1574074 -0.0000000 0.1574074), wk = 0.0028090 k( 19) = ( 0.1666667 0.0000000 0.1666667), wk = 0.0028090 k( 20) = ( 0.1759259 0.0000000 0.1759259), wk = 0.0028090 k( 21) = ( 0.1851852 -0.0000000 0.1851852), wk = 0.0028090 k( 22) = ( 0.1944444 -0.0000000 0.1944444), wk = 0.0028090 k( 23) = ( 0.2037037 -0.0000000 0.2037037), wk = 0.0028090 k( 24) = ( 0.2129630 -0.0000000 0.2129630), wk = 0.0028090 k( 25) = ( 0.2222222 0.0000000 0.2222222), wk = 0.0028090 k( 26) = ( 0.2314815 -0.0000000 0.2314815), wk = 0.0028090 k( 27) = ( 0.2407407 -0.0000000 0.2407407), wk = 0.0028090 k( 28) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0028090 k( 29) = ( 0.2592593 -0.0000000 0.2592593), wk = 0.0028090 k( 30) = ( 0.2685185 0.0000000 0.2685185), wk = 0.0028090 k( 31) = ( 0.2777778 -0.0000000 0.2777778), wk = 0.0028090 k( 32) = ( 0.2870370 -0.0000000 0.2870370), wk = 0.0028090 k( 33) = ( 0.2962963 -0.0000000 0.2962963), wk = 0.0028090 k( 34) = ( 0.3055556 -0.0000000 0.3055556), wk = 0.0028090 k( 35) = ( 0.3148148 -0.0000000 0.3148148), wk = 0.0028090 k( 36) = ( 0.3240741 -0.0000000 0.3240741), wk = 0.0028090 k( 37) = ( 0.3333333 -0.0000000 0.3333333), wk = 0.0028090 k( 38) = ( 0.3425926 0.0000000 0.3425926), wk = 0.0028090 k( 39) = ( 0.3518519 -0.0000000 0.3518519), wk = 0.0028090 k( 40) = ( 0.3611111 -0.0000000 0.3611111), wk = 0.0028090 k( 41) = ( 0.3703704 -0.0000000 0.3703704), wk = 0.0028090 k( 42) = ( 0.3796296 -0.0000000 0.3796296), wk = 0.0028090 k( 43) = ( 0.3888889 -0.0000000 0.3888889), wk = 0.0028090 k( 44) = ( 0.3981481 -0.0000000 0.3981482), wk = 0.0028090 k( 45) = ( 0.4074074 -0.0000000 0.4074074), wk = 0.0028090 k( 46) = ( 0.4166667 -0.0000000 0.4166667), wk = 0.0028090 k( 47) = ( 0.4259259 0.0000000 0.4259259), wk = 0.0028090 k( 48) = ( 0.4351852 0.0000000 0.4351852), wk = 0.0028090 k( 49) = ( 0.4444444 0.0000000 0.4444444), wk = 0.0028090 k( 50) = ( 0.4537037 -0.0000000 0.4537037), wk = 0.0028090 k( 51) = ( 0.4629630 -0.0000000 0.4629630), wk = 0.0028090 k( 52) = ( 0.4722222 -0.0000000 0.4722222), wk = 0.0028090 k( 53) = ( 0.4814815 -0.0000000 0.4814815), wk = 0.0028090 k( 54) = ( 0.4907407 -0.0000000 0.4907407), wk = 0.0028090 k( 55) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028090 k( 56) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028090 k( 57) = ( 0.5000000 0.0092593 0.5092593), wk = 0.0028090 k( 58) = ( 0.5000000 0.0185185 0.5185185), wk = 0.0028090 k( 59) = ( 0.5000000 0.0277778 0.5277778), wk = 0.0028090 k( 60) = ( 0.5000000 0.0370370 0.5370370), wk = 0.0028090 k( 61) = ( 0.5000000 0.0462963 0.5462963), wk = 0.0028090 k( 62) = ( 0.5000000 0.0555556 0.5555556), wk = 0.0028090 k( 63) = ( 0.5000000 0.0648148 0.5648148), wk = 0.0028090 k( 64) = ( 0.5000000 0.0740741 0.5740741), wk = 0.0028090 k( 65) = ( 0.5000000 0.0833333 0.5833333), wk = 0.0028090 k( 66) = ( 0.5000000 0.0925926 0.5925926), wk = 0.0028090 k( 67) = ( 0.5000000 0.1018518 0.6018519), wk = 0.0028090 k( 68) = ( 0.5000000 0.1111111 0.6111111), wk = 0.0028090 k( 69) = ( 0.5000000 0.1203704 0.6203704), wk = 0.0028090 k( 70) = ( 0.5000000 0.1296296 0.6296296), wk = 0.0028090 k( 71) = ( 0.5000000 0.1388889 0.6388889), wk = 0.0028090 k( 72) = ( 0.5000000 0.1481481 0.6481482), wk = 0.0028090 k( 73) = ( 0.5000000 0.1574074 0.6574074), wk = 0.0028090 k( 74) = ( 0.5000000 0.1666667 0.6666667), wk = 0.0028090 k( 75) = ( 0.5000000 0.1759259 0.6759259), wk = 0.0028090 k( 76) = ( 0.5000000 0.1851852 0.6851852), wk = 0.0028090 k( 77) = ( 0.5000000 0.1944444 0.6944444), wk = 0.0028090 k( 78) = ( 0.5000000 0.2037037 0.7037037), wk = 0.0028090 k( 79) = ( 0.5000000 0.2129630 0.7129630), wk = 0.0028090 k( 80) = ( 0.5000000 0.2222222 0.7222222), wk = 0.0028090 k( 81) = ( 0.5000000 0.2314815 0.7314815), wk = 0.0028090 k( 82) = ( 0.5000000 0.2407407 0.7407407), wk = 0.0028090 k( 83) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028090 k( 84) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028090 k( 85) = ( 0.4934211 0.2565789 0.7500000), wk = 0.0028090 k( 86) = ( 0.4868421 0.2631579 0.7500000), wk = 0.0028090 k( 87) = ( 0.4802632 0.2697368 0.7500000), wk = 0.0028090 k( 88) = ( 0.4736842 0.2763158 0.7500000), wk = 0.0028090 k( 89) = ( 0.4671053 0.2828947 0.7500000), wk = 0.0028090 k( 90) = ( 0.4605263 0.2894737 0.7500000), wk = 0.0028090 k( 91) = ( 0.4539474 0.2960526 0.7500000), wk = 0.0028090 k( 92) = ( 0.4473684 0.3026316 0.7500000), wk = 0.0028090 k( 93) = ( 0.4407895 0.3092105 0.7500000), wk = 0.0028090 k( 94) = ( 0.4342105 0.3157895 0.7500000), wk = 0.0028090 k( 95) = ( 0.4276316 0.3223684 0.7500000), wk = 0.0028090 k( 96) = ( 0.4210526 0.3289474 0.7500000), wk = 0.0028090 k( 97) = ( 0.4144737 0.3355263 0.7500000), wk = 0.0028090 k( 98) = ( 0.4078947 0.3421053 0.7500000), wk = 0.0028090 k( 99) = ( 0.4013158 0.3486842 0.7500000), wk = 0.0028090 k( 100) = ( 0.3947368 0.3552632 0.7500000), wk = 0.0028090 k( 101) = ( 0.3881579 0.3618421 0.7500000), wk = 0.0028090 k( 102) = ( 0.3815789 0.3684210 0.7500000), wk = 0.0028090 k( 103) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028090 k( 104) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028090 k( 105) = ( 0.3684211 0.3684210 0.7368421), wk = 0.0028090 k( 106) = ( 0.3618421 0.3618421 0.7236842), wk = 0.0028090 k( 107) = ( 0.3552632 0.3552632 0.7105263), wk = 0.0028090 k( 108) = ( 0.3486842 0.3486842 0.6973684), wk = 0.0028090 k( 109) = ( 0.3421053 0.3421053 0.6842105), wk = 0.0028090 k( 110) = ( 0.3355263 0.3355263 0.6710526), wk = 0.0028090 k( 111) = ( 0.3289474 0.3289474 0.6578947), wk = 0.0028090 k( 112) = ( 0.3223684 0.3223684 0.6447368), wk = 0.0028090 k( 113) = ( 0.3157895 0.3157895 0.6315789), wk = 0.0028090 k( 114) = ( 0.3092105 0.3092105 0.6184211), wk = 0.0028090 k( 115) = ( 0.3026316 0.3026316 0.6052632), wk = 0.0028090 k( 116) = ( 0.2960526 0.2960526 0.5921053), wk = 0.0028090 k( 117) = ( 0.2894737 0.2894737 0.5789474), wk = 0.0028090 k( 118) = ( 0.2828947 0.2828947 0.5657895), wk = 0.0028090 k( 119) = ( 0.2763158 0.2763158 0.5526316), wk = 0.0028090 k( 120) = ( 0.2697368 0.2697368 0.5394737), wk = 0.0028090 k( 121) = ( 0.2631579 0.2631579 0.5263158), wk = 0.0028090 k( 122) = ( 0.2565789 0.2565789 0.5131579), wk = 0.0028090 k( 123) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0028090 k( 124) = ( 0.2434210 0.2434210 0.4868421), wk = 0.0028090 k( 125) = ( 0.2368421 0.2368421 0.4736842), wk = 0.0028090 k( 126) = ( 0.2302632 0.2302632 0.4605263), wk = 0.0028090 k( 127) = ( 0.2236842 0.2236842 0.4473684), wk = 0.0028090 k( 128) = ( 0.2171053 0.2171053 0.4342105), wk = 0.0028090 k( 129) = ( 0.2105263 0.2105263 0.4210526), wk = 0.0028090 k( 130) = ( 0.2039474 0.2039474 0.4078947), wk = 0.0028090 k( 131) = ( 0.1973684 0.1973684 0.3947368), wk = 0.0028090 k( 132) = ( 0.1907895 0.1907895 0.3815790), wk = 0.0028090 k( 133) = ( 0.1842105 0.1842105 0.3684211), wk = 0.0028090 k( 134) = ( 0.1776316 0.1776316 0.3552632), wk = 0.0028090 k( 135) = ( 0.1710526 0.1710526 0.3421053), wk = 0.0028090 k( 136) = ( 0.1644737 0.1644737 0.3289474), wk = 0.0028090 k( 137) = ( 0.1578947 0.1578947 0.3157895), wk = 0.0028090 k( 138) = ( 0.1513158 0.1513158 0.3026316), wk = 0.0028090 k( 139) = ( 0.1447368 0.1447368 0.2894737), wk = 0.0028090 k( 140) = ( 0.1381579 0.1381579 0.2763158), wk = 0.0028090 k( 141) = ( 0.1315790 0.1315790 0.2631579), wk = 0.0028090 k( 142) = ( 0.1250000 0.1250000 0.2500000), wk = 0.0028090 k( 143) = ( 0.1184210 0.1184210 0.2368421), wk = 0.0028090 k( 144) = ( 0.1118421 0.1118421 0.2236842), wk = 0.0028090 k( 145) = ( 0.1052632 0.1052632 0.2105263), wk = 0.0028090 k( 146) = ( 0.0986842 0.0986842 0.1973684), wk = 0.0028090 k( 147) = ( 0.0921053 0.0921053 0.1842105), wk = 0.0028090 k( 148) = ( 0.0855263 0.0855263 0.1710526), wk = 0.0028090 k( 149) = ( 0.0789474 0.0789474 0.1578947), wk = 0.0028090 k( 150) = ( 0.0723684 0.0723684 0.1447368), wk = 0.0028090 k( 151) = ( 0.0657895 0.0657895 0.1315790), wk = 0.0028090 k( 152) = ( 0.0592105 0.0592105 0.1184211), wk = 0.0028090 k( 153) = ( 0.0526316 0.0526316 0.1052632), wk = 0.0028090 k( 154) = ( 0.0460526 0.0460526 0.0921053), wk = 0.0028090 k( 155) = ( 0.0394737 0.0394737 0.0789474), wk = 0.0028090 k( 156) = ( 0.0328947 0.0328947 0.0657895), wk = 0.0028090 k( 157) = ( 0.0263158 0.0263158 0.0526316), wk = 0.0028090 k( 158) = ( 0.0197368 0.0197368 0.0394737), wk = 0.0028090 k( 159) = ( 0.0131579 0.0131579 0.0263158), wk = 0.0028090 k( 160) = ( 0.0065790 0.0065789 0.0131579), wk = 0.0028090 k( 161) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 162) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 163) = ( 0.0106383 0.0106383 0.0106383), wk = 0.0028090 k( 164) = ( 0.0212766 0.0212766 0.0212766), wk = 0.0028090 k( 165) = ( 0.0319149 0.0319149 0.0319149), wk = 0.0028090 k( 166) = ( 0.0425532 0.0425532 0.0425532), wk = 0.0028090 k( 167) = ( 0.0531915 0.0531915 0.0531915), wk = 0.0028090 k( 168) = ( 0.0638298 0.0638298 0.0638298), wk = 0.0028090 k( 169) = ( 0.0744681 0.0744681 0.0744681), wk = 0.0028090 k( 170) = ( 0.0851064 0.0851064 0.0851064), wk = 0.0028090 k( 171) = ( 0.0957447 0.0957447 0.0957447), wk = 0.0028090 k( 172) = ( 0.1063830 0.1063830 0.1063830), wk = 0.0028090 k( 173) = ( 0.1170213 0.1170213 0.1170213), wk = 0.0028090 k( 174) = ( 0.1276596 0.1276596 0.1276596), wk = 0.0028090 k( 175) = ( 0.1382979 0.1382979 0.1382979), wk = 0.0028090 k( 176) = ( 0.1489362 0.1489362 0.1489362), wk = 0.0028090 k( 177) = ( 0.1595745 0.1595745 0.1595745), wk = 0.0028090 k( 178) = ( 0.1702128 0.1702128 0.1702128), wk = 0.0028090 k( 179) = ( 0.1808511 0.1808511 0.1808511), wk = 0.0028090 k( 180) = ( 0.1914894 0.1914894 0.1914894), wk = 0.0028090 k( 181) = ( 0.2021277 0.2021277 0.2021277), wk = 0.0028090 k( 182) = ( 0.2127660 0.2127660 0.2127660), wk = 0.0028090 k( 183) = ( 0.2234043 0.2234043 0.2234043), wk = 0.0028090 k( 184) = ( 0.2340425 0.2340425 0.2340426), wk = 0.0028090 k( 185) = ( 0.2446809 0.2446808 0.2446809), wk = 0.0028090 k( 186) = ( 0.2553191 0.2553191 0.2553191), wk = 0.0028090 k( 187) = ( 0.2659574 0.2659574 0.2659574), wk = 0.0028090 k( 188) = ( 0.2765957 0.2765957 0.2765957), wk = 0.0028090 k( 189) = ( 0.2872340 0.2872340 0.2872340), wk = 0.0028090 k( 190) = ( 0.2978723 0.2978723 0.2978723), wk = 0.0028090 k( 191) = ( 0.3085106 0.3085106 0.3085106), wk = 0.0028090 k( 192) = ( 0.3191489 0.3191489 0.3191489), wk = 0.0028090 k( 193) = ( 0.3297872 0.3297872 0.3297872), wk = 0.0028090 k( 194) = ( 0.3404255 0.3404255 0.3404255), wk = 0.0028090 k( 195) = ( 0.3510638 0.3510638 0.3510638), wk = 0.0028090 k( 196) = ( 0.3617021 0.3617021 0.3617021), wk = 0.0028090 k( 197) = ( 0.3723404 0.3723404 0.3723404), wk = 0.0028090 k( 198) = ( 0.3829787 0.3829787 0.3829787), wk = 0.0028090 k( 199) = ( 0.3936170 0.3936170 0.3936170), wk = 0.0028090 k( 200) = ( 0.4042553 0.4042553 0.4042553), wk = 0.0028090 k( 201) = ( 0.4148936 0.4148936 0.4148936), wk = 0.0028090 k( 202) = ( 0.4255319 0.4255319 0.4255319), wk = 0.0028090 k( 203) = ( 0.4361702 0.4361702 0.4361702), wk = 0.0028090 k( 204) = ( 0.4468085 0.4468085 0.4468085), wk = 0.0028090 k( 205) = ( 0.4574468 0.4574468 0.4574468), wk = 0.0028090 k( 206) = ( 0.4680851 0.4680851 0.4680851), wk = 0.0028090 k( 207) = ( 0.4787234 0.4787234 0.4787234), wk = 0.0028090 k( 208) = ( 0.4893617 0.4893617 0.4893617), wk = 0.0028090 k( 209) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028090 k( 210) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028090 k( 211) = ( 0.5037879 0.4924242 0.5037879), wk = 0.0028090 k( 212) = ( 0.5075758 0.4848485 0.5075758), wk = 0.0028090 k( 213) = ( 0.5113636 0.4772727 0.5113636), wk = 0.0028090 k( 214) = ( 0.5151515 0.4696970 0.5151515), wk = 0.0028090 k( 215) = ( 0.5189394 0.4621212 0.5189394), wk = 0.0028090 k( 216) = ( 0.5227273 0.4545454 0.5227273), wk = 0.0028090 k( 217) = ( 0.5265152 0.4469697 0.5265152), wk = 0.0028090 k( 218) = ( 0.5303030 0.4393939 0.5303030), wk = 0.0028090 k( 219) = ( 0.5340909 0.4318182 0.5340909), wk = 0.0028090 k( 220) = ( 0.5378788 0.4242424 0.5378788), wk = 0.0028090 k( 221) = ( 0.5416667 0.4166667 0.5416667), wk = 0.0028090 k( 222) = ( 0.5454545 0.4090909 0.5454545), wk = 0.0028090 k( 223) = ( 0.5492424 0.4015151 0.5492424), wk = 0.0028090 k( 224) = ( 0.5530303 0.3939394 0.5530303), wk = 0.0028090 k( 225) = ( 0.5568182 0.3863636 0.5568182), wk = 0.0028090 k( 226) = ( 0.5606061 0.3787879 0.5606061), wk = 0.0028090 k( 227) = ( 0.5643939 0.3712121 0.5643939), wk = 0.0028090 k( 228) = ( 0.5681818 0.3636364 0.5681818), wk = 0.0028090 k( 229) = ( 0.5719697 0.3560606 0.5719697), wk = 0.0028090 k( 230) = ( 0.5757576 0.3484848 0.5757576), wk = 0.0028090 k( 231) = ( 0.5795455 0.3409091 0.5795455), wk = 0.0028090 k( 232) = ( 0.5833333 0.3333333 0.5833333), wk = 0.0028090 k( 233) = ( 0.5871212 0.3257576 0.5871212), wk = 0.0028090 k( 234) = ( 0.5909091 0.3181818 0.5909091), wk = 0.0028090 k( 235) = ( 0.5946970 0.3106061 0.5946970), wk = 0.0028090 k( 236) = ( 0.5984848 0.3030303 0.5984849), wk = 0.0028090 k( 237) = ( 0.6022727 0.2954545 0.6022727), wk = 0.0028090 k( 238) = ( 0.6060606 0.2878788 0.6060606), wk = 0.0028090 k( 239) = ( 0.6098485 0.2803030 0.6098485), wk = 0.0028090 k( 240) = ( 0.6136364 0.2727273 0.6136364), wk = 0.0028090 k( 241) = ( 0.6174242 0.2651515 0.6174242), wk = 0.0028090 k( 242) = ( 0.6212121 0.2575758 0.6212121), wk = 0.0028090 k( 243) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028090 k( 244) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028090 k( 245) = ( 0.6184211 0.2500000 0.6315789), wk = 0.0028090 k( 246) = ( 0.6118421 0.2500000 0.6381579), wk = 0.0028090 k( 247) = ( 0.6052632 0.2500000 0.6447368), wk = 0.0028090 k( 248) = ( 0.5986842 0.2500000 0.6513158), wk = 0.0028090 k( 249) = ( 0.5921053 0.2500000 0.6578947), wk = 0.0028090 k( 250) = ( 0.5855263 0.2500000 0.6644737), wk = 0.0028090 k( 251) = ( 0.5789474 0.2500000 0.6710526), wk = 0.0028090 k( 252) = ( 0.5723684 0.2500000 0.6776316), wk = 0.0028090 k( 253) = ( 0.5657895 0.2500000 0.6842105), wk = 0.0028090 k( 254) = ( 0.5592105 0.2500000 0.6907895), wk = 0.0028090 k( 255) = ( 0.5526316 0.2500000 0.6973684), wk = 0.0028090 k( 256) = ( 0.5460526 0.2500000 0.7039474), wk = 0.0028090 k( 257) = ( 0.5394737 0.2500000 0.7105263), wk = 0.0028090 k( 258) = ( 0.5328947 0.2500000 0.7171053), wk = 0.0028090 k( 259) = ( 0.5263158 0.2500000 0.7236842), wk = 0.0028090 k( 260) = ( 0.5197368 0.2500000 0.7302632), wk = 0.0028090 k( 261) = ( 0.5131579 0.2500000 0.7368421), wk = 0.0028090 k( 262) = ( 0.5065789 0.2500000 0.7434211), wk = 0.0028090 k( 263) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028090 k( 264) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028090 k( 265) = ( 0.5000000 0.2565789 0.7434211), wk = 0.0028090 k( 266) = ( 0.5000000 0.2631579 0.7368421), wk = 0.0028090 k( 267) = ( 0.5000000 0.2697368 0.7302632), wk = 0.0028090 k( 268) = ( 0.5000000 0.2763158 0.7236842), wk = 0.0028090 k( 269) = ( 0.5000000 0.2828947 0.7171053), wk = 0.0028090 k( 270) = ( 0.5000000 0.2894737 0.7105263), wk = 0.0028090 k( 271) = ( 0.5000000 0.2960526 0.7039474), wk = 0.0028090 k( 272) = ( 0.5000000 0.3026316 0.6973684), wk = 0.0028090 k( 273) = ( 0.5000000 0.3092105 0.6907895), wk = 0.0028090 k( 274) = ( 0.5000000 0.3157895 0.6842105), wk = 0.0028090 k( 275) = ( 0.5000000 0.3223684 0.6776316), wk = 0.0028090 k( 276) = ( 0.5000000 0.3289474 0.6710526), wk = 0.0028090 k( 277) = ( 0.5000000 0.3355263 0.6644737), wk = 0.0028090 k( 278) = ( 0.5000000 0.3421053 0.6578947), wk = 0.0028090 k( 279) = ( 0.5000000 0.3486842 0.6513158), wk = 0.0028090 k( 280) = ( 0.5000000 0.3552632 0.6447368), wk = 0.0028090 k( 281) = ( 0.5000000 0.3618421 0.6381579), wk = 0.0028090 k( 282) = ( 0.5000000 0.3684210 0.6315789), wk = 0.0028090 k( 283) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0028090 k( 284) = ( 0.5000000 0.3815789 0.6184211), wk = 0.0028090 k( 285) = ( 0.5000000 0.3881579 0.6118421), wk = 0.0028090 k( 286) = ( 0.5000000 0.3947368 0.6052632), wk = 0.0028090 k( 287) = ( 0.5000000 0.4013158 0.5986842), wk = 0.0028090 k( 288) = ( 0.5000000 0.4078947 0.5921053), wk = 0.0028090 k( 289) = ( 0.5000000 0.4144737 0.5855263), wk = 0.0028090 k( 290) = ( 0.5000000 0.4210526 0.5789474), wk = 0.0028090 k( 291) = ( 0.5000000 0.4276316 0.5723684), wk = 0.0028090 k( 292) = ( 0.5000000 0.4342105 0.5657895), wk = 0.0028090 k( 293) = ( 0.5000000 0.4407895 0.5592105), wk = 0.0028090 k( 294) = ( 0.5000000 0.4473684 0.5526316), wk = 0.0028090 k( 295) = ( 0.5000000 0.4539474 0.5460526), wk = 0.0028090 k( 296) = ( 0.5000000 0.4605263 0.5394737), wk = 0.0028090 k( 297) = ( 0.5000000 0.4671053 0.5328947), wk = 0.0028090 k( 298) = ( 0.5000000 0.4736842 0.5263158), wk = 0.0028090 k( 299) = ( 0.5000000 0.4802632 0.5197368), wk = 0.0028090 k( 300) = ( 0.5000000 0.4868421 0.5131579), wk = 0.0028090 k( 301) = ( 0.5000000 0.4934210 0.5065789), wk = 0.0028090 k( 302) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028090 k( 303) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028090 k( 304) = ( 0.4962121 0.4962121 0.5075758), wk = 0.0028090 k( 305) = ( 0.4924242 0.4924242 0.5151515), wk = 0.0028090 k( 306) = ( 0.4886364 0.4886364 0.5227273), wk = 0.0028090 k( 307) = ( 0.4848485 0.4848485 0.5303030), wk = 0.0028090 k( 308) = ( 0.4810606 0.4810606 0.5378788), wk = 0.0028090 k( 309) = ( 0.4772727 0.4772727 0.5454545), wk = 0.0028090 k( 310) = ( 0.4734849 0.4734848 0.5530303), wk = 0.0028090 k( 311) = ( 0.4696970 0.4696970 0.5606061), wk = 0.0028090 k( 312) = ( 0.4659091 0.4659091 0.5681818), wk = 0.0028090 k( 313) = ( 0.4621212 0.4621212 0.5757576), wk = 0.0028090 k( 314) = ( 0.4583333 0.4583333 0.5833333), wk = 0.0028090 k( 315) = ( 0.4545455 0.4545454 0.5909091), wk = 0.0028090 k( 316) = ( 0.4507576 0.4507576 0.5984848), wk = 0.0028090 k( 317) = ( 0.4469697 0.4469697 0.6060606), wk = 0.0028090 k( 318) = ( 0.4431818 0.4431818 0.6136364), wk = 0.0028090 k( 319) = ( 0.4393939 0.4393939 0.6212121), wk = 0.0028090 k( 320) = ( 0.4356061 0.4356061 0.6287879), wk = 0.0028090 k( 321) = ( 0.4318182 0.4318182 0.6363636), wk = 0.0028090 k( 322) = ( 0.4280303 0.4280303 0.6439394), wk = 0.0028090 k( 323) = ( 0.4242424 0.4242424 0.6515152), wk = 0.0028090 k( 324) = ( 0.4204545 0.4204545 0.6590909), wk = 0.0028090 k( 325) = ( 0.4166667 0.4166667 0.6666667), wk = 0.0028090 k( 326) = ( 0.4128788 0.4128788 0.6742424), wk = 0.0028090 k( 327) = ( 0.4090909 0.4090909 0.6818182), wk = 0.0028090 k( 328) = ( 0.4053030 0.4053030 0.6893939), wk = 0.0028090 k( 329) = ( 0.4015151 0.4015151 0.6969697), wk = 0.0028090 k( 330) = ( 0.3977273 0.3977273 0.7045455), wk = 0.0028090 k( 331) = ( 0.3939394 0.3939394 0.7121212), wk = 0.0028090 k( 332) = ( 0.3901515 0.3901515 0.7196970), wk = 0.0028090 k( 333) = ( 0.3863636 0.3863636 0.7272727), wk = 0.0028090 k( 334) = ( 0.3825758 0.3825758 0.7348485), wk = 0.0028090 k( 335) = ( 0.3787879 0.3787879 0.7424242), wk = 0.0028090 k( 336) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028090 k( 337) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028090 k( 338) = ( 0.6184211 0.2368421 0.6184211), wk = 0.0028090 k( 339) = ( 0.6118421 0.2236842 0.6118421), wk = 0.0028090 k( 340) = ( 0.6052632 0.2105263 0.6052632), wk = 0.0028090 k( 341) = ( 0.5986842 0.1973684 0.5986842), wk = 0.0028090 k( 342) = ( 0.5921053 0.1842105 0.5921053), wk = 0.0028090 k( 343) = ( 0.5855263 0.1710526 0.5855263), wk = 0.0028090 k( 344) = ( 0.5789474 0.1578947 0.5789474), wk = 0.0028090 k( 345) = ( 0.5723684 0.1447368 0.5723684), wk = 0.0028090 k( 346) = ( 0.5657895 0.1315790 0.5657895), wk = 0.0028090 k( 347) = ( 0.5592105 0.1184210 0.5592105), wk = 0.0028090 k( 348) = ( 0.5526316 0.1052632 0.5526316), wk = 0.0028090 k( 349) = ( 0.5460526 0.0921053 0.5460526), wk = 0.0028090 k( 350) = ( 0.5394737 0.0789474 0.5394737), wk = 0.0028090 k( 351) = ( 0.5328947 0.0657895 0.5328947), wk = 0.0028090 k( 352) = ( 0.5263158 0.0526316 0.5263158), wk = 0.0028090 k( 353) = ( 0.5197368 0.0394737 0.5197368), wk = 0.0028090 k( 354) = ( 0.5131579 0.0263158 0.5131579), wk = 0.0028090 k( 355) = ( 0.5065789 0.0131579 0.5065789), wk = 0.0028090 k( 356) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028090 Dense grid: 149629 G-vectors FFT dimensions: ( 75, 75, 75) Smooth grid: 34015 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.14 Mb ( 250, 36) NL pseudopotentials 0.20 Mb ( 125, 104) Each V/rho on FFT grid 0.26 Mb ( 16875) Each G-vector array 0.03 Mb ( 4154) G-vector shells 0.01 Mb ( 844) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.55 Mb ( 250, 144) Each subspace H/S matrix 0.02 Mb ( 36, 36) Each matrix 0.11 Mb ( 104, 2, 36) The potential is recalculated from file : ./Be5Fe.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.2 secs Computing kpt #: 2 total cpu time spent up to now is 2.7 secs Computing kpt #: 3 total cpu time spent up to now is 3.2 secs Computing kpt #: 4 total cpu time spent up to now is 3.6 secs Computing kpt #: 5 total cpu time spent up to now is 4.1 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 5.4 secs Computing kpt #: 8 total cpu time spent up to now is 5.8 secs Computing kpt #: 9 total cpu time spent up to now is 6.3 secs Computing kpt #: 10 total cpu time spent up to now is 6.7 secs Computing kpt #: 11 total cpu time spent up to now is 7.1 secs Computing kpt #: 12 total cpu time spent up to now is 7.5 secs Computing kpt #: 13 total cpu time spent up to now is 8.0 secs Computing kpt #: 14 total cpu time spent up to now is 8.5 secs Computing kpt #: 15 total cpu time spent up to now is 9.2 secs Computing kpt #: 16 total cpu time spent up to now is 9.8 secs Computing kpt #: 17 total cpu time spent up to now is 10.4 secs Computing kpt #: 18 total cpu time spent up to now is 11.0 secs Computing kpt #: 19 total cpu time spent up to now is 11.7 secs Computing kpt #: 20 total cpu time spent up to now is 12.4 secs Computing kpt #: 21 total cpu time spent up to now is 13.1 secs Computing kpt #: 22 total cpu time spent up to now is 14.0 secs Computing kpt #: 23 total cpu time spent up to now is 14.9 secs Computing kpt #: 24 total cpu time spent up to now is 15.7 secs Computing kpt #: 25 total cpu time spent up to now is 16.5 secs Computing kpt #: 26 total cpu time spent up to now is 17.1 secs Computing kpt #: 27 total cpu time spent up to now is 18.3 secs Computing kpt #: 28 total cpu time spent up to now is 19.4 secs Computing kpt #: 29 total cpu time spent up to now is 20.5 secs Computing kpt #: 30 total cpu time spent up to now is 21.7 secs Computing kpt #: 31 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 22.9 secs Computing kpt #: 32 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 24.1 secs Computing kpt #: 33 total cpu time spent up to now is 25.3 secs Computing kpt #: 34 total cpu time spent up to now is 26.3 secs Computing kpt #: 35 total cpu time spent up to now is 27.4 secs Computing kpt #: 36 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 28.6 secs Computing kpt #: 37 total cpu time spent up to now is 29.5 secs Computing kpt #: 38 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 30.7 secs Computing kpt #: 39 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 32.0 secs Computing kpt #: 40 total cpu time spent up to now is 32.8 secs Computing kpt #: 41 total cpu time spent up to now is 33.6 secs Computing kpt #: 42 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 34.9 secs Computing kpt #: 43 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 36.1 secs Computing kpt #: 44 total cpu time spent up to now is 36.7 secs Computing kpt #: 45 total cpu time spent up to now is 37.7 secs Computing kpt #: 46 total cpu time spent up to now is 38.6 secs Computing kpt #: 47 total cpu time spent up to now is 41.4 secs Computing kpt #: 48 total cpu time spent up to now is 42.0 secs Computing kpt #: 49 total cpu time spent up to now is 42.8 secs Computing kpt #: 50 total cpu time spent up to now is 43.4 secs Computing kpt #: 51 total cpu time spent up to now is 43.9 secs Computing kpt #: 52 total cpu time spent up to now is 44.5 secs Computing kpt #: 53 total cpu time spent up to now is 45.0 secs Computing kpt #: 54 total cpu time spent up to now is 45.5 secs Computing kpt #: 55 total cpu time spent up to now is 46.0 secs Computing kpt #: 56 total cpu time spent up to now is 46.5 secs Computing kpt #: 57 total cpu time spent up to now is 47.1 secs Computing kpt #: 58 total cpu time spent up to now is 47.5 secs Computing kpt #: 59 total cpu time spent up to now is 47.9 secs Computing kpt #: 60 total cpu time spent up to now is 48.4 secs Computing kpt #: 61 total cpu 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Computing kpt #: 77 total cpu time spent up to now is 55.0 secs Computing kpt #: 78 total cpu time spent up to now is 55.3 secs Computing kpt #: 79 total cpu time spent up to now is 55.7 secs Computing kpt #: 80 total cpu time spent up to now is 56.0 secs Computing kpt #: 81 total cpu time spent up to now is 56.4 secs Computing kpt #: 82 total cpu time spent up to now is 56.7 secs Computing kpt #: 83 total cpu time spent up to now is 57.1 secs Computing kpt #: 84 total cpu time spent up to now is 57.5 secs Computing kpt #: 85 total cpu time spent up to now is 57.8 secs Computing kpt #: 86 total cpu time spent up to now is 58.2 secs Computing kpt #: 87 total cpu time spent up to now is 58.5 secs Computing kpt #: 88 total cpu time spent up to now is 58.9 secs Computing kpt #: 89 total cpu time spent up to now is 59.3 secs Computing kpt #: 90 total cpu time spent up to now is 59.7 secs Computing kpt #: 91 total cpu time spent up to now is 60.1 secs Computing kpt #: 92 total cpu time spent up to now is 60.5 secs Computing kpt #: 93 total cpu time spent up to now is 60.9 secs Computing kpt #: 94 total cpu time spent up to now is 61.2 secs Computing kpt #: 95 total cpu time spent up to now is 61.6 secs Computing kpt #: 96 total cpu time spent up to now is 62.0 secs Computing kpt #: 97 total cpu time spent up to now is 62.4 secs Computing kpt #: 98 total cpu time spent up to now is 62.8 secs Computing kpt #: 99 total cpu time spent up to now is 63.2 secs Computing kpt #: 100 total cpu time spent up to now is 63.5 secs Computing kpt #: 101 total cpu time spent up to now is 63.9 secs Computing kpt #: 102 total cpu time spent up to now is 64.3 secs Computing kpt #: 103 total cpu time spent up to now is 64.7 secs Computing kpt #: 104 total cpu time spent up to now is 65.1 secs Computing kpt #: 105 total cpu time spent up to now is 65.5 secs Computing kpt #: 106 total cpu time spent up to now is 65.9 secs Computing kpt #: 107 total cpu time spent up to now is 66.3 secs Computing kpt #: 108 total cpu time spent up to now is 66.7 secs Computing kpt #: 109 total cpu time spent up to now is 67.1 secs Computing kpt #: 110 total cpu time spent up to now is 67.5 secs Computing kpt #: 111 total cpu time spent up to now is 67.9 secs Computing kpt #: 112 total cpu time spent up to now is 68.3 secs Computing kpt #: 113 total cpu time spent up to now is 68.8 secs Computing kpt #: 114 total cpu time spent up to now is 69.1 secs Computing kpt #: 115 total cpu time spent up to now is 69.5 secs Computing kpt #: 116 total cpu time spent up to now is 70.1 secs Computing kpt #: 117 total cpu time spent up to now is 70.5 secs Computing kpt #: 118 total cpu time spent up to now is 70.9 secs Computing kpt #: 119 total cpu time spent up to now is 71.2 secs Computing kpt #: 120 total cpu time spent up to now is 71.6 secs Computing kpt #: 121 total cpu time spent up to now is 71.9 secs Computing kpt #: 122 total cpu time spent up to now is 72.3 secs Computing kpt #: 123 total cpu time spent up to now is 72.6 secs Computing kpt #: 124 total cpu time spent up to now is 73.0 secs Computing kpt #: 125 total cpu time spent up to now is 73.4 secs Computing kpt #: 126 total cpu time spent up to now is 73.8 secs Computing kpt #: 127 total cpu time spent up to now is 74.2 secs Computing kpt #: 128 total cpu time spent up to now is 74.6 secs Computing kpt #: 129 total cpu time spent up to now is 75.0 secs Computing kpt #: 130 total cpu time spent up to now is 75.3 secs Computing kpt #: 131 total cpu time spent up to now is 75.7 secs Computing kpt #: 132 total cpu time spent up to now is 76.1 secs Computing kpt #: 133 total cpu time spent up to now is 76.6 secs Computing kpt #: 134 total cpu time spent up to now is 77.0 secs Computing kpt #: 135 total cpu time spent up to now is 77.4 secs Computing kpt #: 136 total cpu time spent up to now is 77.8 secs Computing kpt #: 137 total cpu time spent up to now is 78.2 secs Computing kpt #: 138 total cpu time spent up to now is 78.6 secs Computing kpt #: 139 total cpu time spent up to now is 79.0 secs Computing kpt #: 140 total cpu time spent up to now is 79.4 secs Computing kpt #: 141 total cpu time spent up to now is 79.9 secs Computing kpt #: 142 total cpu time spent up to now is 80.3 secs Computing kpt #: 143 total cpu time spent up to now is 80.7 secs Computing kpt #: 144 total cpu time spent up to now is 81.2 secs Computing kpt #: 145 total cpu time spent up to now is 81.6 secs Computing kpt #: 146 total cpu time spent up to now is 82.0 secs Computing kpt #: 147 total cpu time spent up to now is 82.4 secs Computing kpt #: 148 total cpu time spent up to now is 82.9 secs Computing kpt #: 149 total cpu time spent up to now is 83.3 secs Computing kpt #: 150 total cpu time spent up to now is 83.8 secs Computing kpt #: 151 total cpu time spent up to now is 84.2 secs Computing kpt #: 152 total cpu time spent up to now is 84.6 secs Computing kpt #: 153 total cpu time spent up to now is 85.1 secs Computing kpt #: 154 total cpu time spent up to now is 85.6 secs Computing kpt #: 155 total cpu time spent up to now is 86.0 secs Computing kpt #: 156 total cpu time spent up to now is 86.4 secs Computing kpt #: 157 total cpu time spent up to now is 86.9 secs Computing kpt #: 158 total cpu time spent up to now is 87.3 secs Computing kpt #: 159 total cpu time spent up to now is 87.8 secs Computing kpt #: 160 total cpu time spent up to now is 88.2 secs Computing kpt #: 161 total cpu time spent up to now is 88.6 secs Computing kpt #: 162 total cpu time spent up to now is 89.1 secs Computing kpt #: 163 total cpu time spent up to now is 89.5 secs Computing kpt #: 164 total cpu time spent up to now is 89.9 secs Computing kpt #: 165 total cpu time spent up to now is 90.4 secs Computing kpt #: 166 total cpu time spent up to now is 90.8 secs Computing kpt #: 167 total cpu time spent up to now is 91.3 secs Computing kpt #: 168 total cpu time spent up to now is 91.7 secs Computing kpt #: 169 total cpu time spent up to now is 92.2 secs Computing kpt #: 170 total cpu time spent up to now is 92.6 secs Computing kpt #: 171 total cpu time spent up to now is 93.1 secs Computing kpt #: 172 total cpu time spent up to now is 93.5 secs Computing kpt #: 173 total cpu time spent up to now is 93.9 secs Computing kpt #: 174 total cpu time spent up to now is 94.4 secs Computing kpt #: 175 total cpu time spent up to now is 94.8 secs Computing kpt #: 176 total cpu time spent up to now is 95.3 secs Computing kpt #: 177 total cpu time spent up to now is 95.7 secs Computing kpt #: 178 total cpu time spent up to now is 96.2 secs Computing kpt #: 179 total cpu time spent up to now is 96.6 secs Computing kpt #: 180 total cpu time spent up to now is 97.0 secs Computing kpt #: 181 total cpu time spent up to now is 97.4 secs Computing kpt #: 182 total cpu time spent up to now is 97.8 secs Computing kpt #: 183 total cpu time spent up to now is 98.2 secs Computing kpt #: 184 total cpu time spent up to now is 98.6 secs Computing kpt #: 185 total cpu time spent up to now is 99.0 secs Computing kpt #: 186 total cpu time spent up to now is 99.4 secs Computing kpt #: 187 total cpu time spent up to now is 99.8 secs Computing kpt #: 188 total cpu time spent up to now is 100.2 secs Computing kpt #: 189 total cpu time spent up to now is 100.6 secs Computing kpt #: 190 total cpu time spent up to now is 101.0 secs Computing kpt #: 191 total cpu time spent up to now is 101.4 secs Computing kpt #: 192 total cpu time spent up to now is 101.8 secs Computing kpt #: 193 total cpu time spent up to now is 102.2 secs Computing kpt #: 194 total cpu time spent up to now is 102.5 secs Computing kpt #: 195 total cpu time spent up to now is 103.0 secs Computing kpt #: 196 total cpu time spent up to now is 103.4 secs Computing kpt #: 197 total cpu time spent up to now is 103.7 secs Computing kpt #: 198 total cpu time spent up to now is 104.1 secs Computing kpt #: 199 total cpu time spent up to now is 104.5 secs Computing kpt #: 200 total cpu time spent up to now is 104.9 secs Computing kpt #: 201 total cpu time spent up to now is 105.3 secs Computing kpt #: 202 total cpu time spent up to now is 105.7 secs Computing kpt #: 203 total cpu time spent up to now is 106.1 secs Computing kpt #: 204 total cpu time spent up to now is 106.4 secs Computing kpt #: 205 total cpu time spent up to now is 106.8 secs Computing kpt #: 206 total cpu time spent up to now is 107.2 secs Computing kpt #: 207 total cpu time spent up to now is 107.5 secs Computing kpt #: 208 total cpu time spent up to now is 107.9 secs Computing kpt #: 209 total cpu time spent up to now is 108.3 secs Computing kpt #: 210 total cpu time spent up to now is 108.7 secs Computing kpt #: 211 total cpu time spent up to now is 109.1 secs Computing kpt #: 212 total cpu time spent up to now is 109.5 secs Computing kpt #: 213 total cpu time spent up to now is 109.8 secs Computing kpt #: 214 total cpu time spent up to now is 110.2 secs Computing kpt #: 215 total cpu time spent up to now is 110.6 secs Computing kpt #: 216 total cpu time spent up to now is 111.0 secs Computing kpt #: 217 total cpu time spent up to now is 111.4 secs Computing kpt #: 218 total cpu time spent up to now is 111.8 secs Computing kpt #: 219 total cpu time spent up to now is 112.2 secs Computing kpt #: 220 total cpu time spent up to now is 112.7 secs Computing kpt #: 221 total cpu time spent up to now is 113.1 secs Computing kpt #: 222 total cpu time spent up to now is 113.5 secs Computing kpt #: 223 total cpu time spent up to now is 113.9 secs Computing kpt #: 224 total cpu time spent up to now is 114.3 secs Computing kpt #: 225 total cpu time spent up to now is 114.8 secs Computing kpt #: 226 total cpu time spent up to now is 115.2 secs Computing kpt #: 227 total cpu time spent up to now is 115.6 secs Computing kpt #: 228 total cpu time spent up to now is 116.0 secs Computing kpt #: 229 total cpu time spent up to now is 116.3 secs Computing kpt #: 230 total cpu time spent up to now is 116.7 secs Computing kpt #: 231 total cpu time spent up to now is 117.1 secs Computing kpt #: 232 total cpu time spent up to now is 117.5 secs Computing kpt #: 233 total cpu time spent up to now is 117.9 secs Computing kpt #: 234 total cpu time spent up to now is 118.3 secs Computing kpt #: 235 total cpu time spent up to now is 118.8 secs Computing kpt #: 236 total cpu time spent up to now is 119.2 secs Computing kpt #: 237 total cpu time spent up to now is 119.6 secs Computing kpt #: 238 total cpu time spent up to now is 120.0 secs Computing kpt #: 239 total cpu time spent up to now is 120.4 secs Computing kpt #: 240 total cpu time spent up to now is 120.8 secs Computing kpt #: 241 total cpu time spent up to now is 121.2 secs Computing kpt #: 242 total cpu time spent up to now is 121.6 secs Computing kpt #: 243 total cpu time spent up to now is 122.0 secs Computing kpt #: 244 total cpu time spent up to now is 122.4 secs Computing kpt #: 245 total cpu time spent up to now is 122.8 secs Computing kpt #: 246 total cpu time spent up to now is 123.2 secs Computing kpt #: 247 total cpu time spent up to now is 123.6 secs Computing kpt #: 248 total cpu time spent up to now is 124.0 secs Computing kpt #: 249 total cpu time spent up to now is 124.4 secs Computing kpt #: 250 total cpu time spent up to now is 124.8 secs Computing kpt #: 251 total cpu time spent up to now is 125.2 secs Computing kpt #: 252 total cpu time spent up to now is 125.5 secs Computing kpt #: 253 total cpu time spent up to now is 125.9 secs Computing kpt #: 254 total cpu time spent up to now is 126.3 secs Computing kpt #: 255 total cpu time spent up to now is 126.7 secs Computing kpt #: 256 total cpu time spent up to now is 127.0 secs Computing kpt #: 257 total cpu time spent up to now is 127.4 secs Computing kpt #: 258 total cpu time spent up to now is 127.7 secs Computing kpt #: 259 total cpu time spent up to now is 128.1 secs Computing kpt #: 260 total cpu time spent up to now is 128.4 secs Computing kpt #: 261 total cpu time spent up to now is 128.8 secs Computing kpt #: 262 total cpu time spent up to now is 129.1 secs Computing kpt #: 263 total cpu time spent up to now is 129.5 secs Computing kpt #: 264 total cpu time spent up to now is 129.9 secs Computing kpt #: 265 total cpu time spent up to now is 130.2 secs Computing kpt #: 266 total cpu time spent up to now is 130.6 secs Computing kpt #: 267 total cpu time spent up to now is 130.9 secs Computing kpt #: 268 total cpu time spent up to now is 131.3 secs Computing kpt #: 269 total cpu time spent up to now is 131.6 secs Computing kpt #: 270 total cpu time spent up to now is 132.0 secs Computing kpt #: 271 total cpu time spent up to now is 132.4 secs Computing kpt #: 272 total cpu time spent up to now is 132.7 secs Computing kpt #: 273 total cpu time spent up to now is 133.1 secs Computing kpt #: 274 total cpu time spent up to now is 133.5 secs Computing kpt #: 275 total cpu time spent up to now is 133.8 secs Computing kpt #: 276 total cpu time spent up to now is 134.2 secs Computing kpt #: 277 total cpu time spent up to now is 134.6 secs Computing kpt #: 278 total cpu time spent up to now is 135.0 secs Computing kpt #: 279 total cpu time spent up to now is 135.4 secs Computing kpt #: 280 total cpu time spent up to now is 135.8 secs Computing kpt #: 281 total cpu time spent up to now is 136.2 secs Computing kpt #: 282 total cpu time spent up to now is 136.6 secs Computing kpt #: 283 total cpu time spent up to now is 137.0 secs Computing kpt #: 284 total cpu time spent up to now is 137.4 secs Computing kpt #: 285 total cpu time spent up to now is 137.8 secs Computing kpt #: 286 total cpu time spent up to now is 138.2 secs Computing kpt #: 287 total cpu time spent up to now is 138.6 secs Computing kpt #: 288 total cpu time spent up to now is 139.0 secs Computing kpt #: 289 total cpu time spent up to now is 139.4 secs Computing kpt #: 290 total cpu time spent up to now is 139.9 secs Computing kpt #: 291 total cpu time spent up to now is 140.2 secs Computing kpt #: 292 total cpu time spent up to now is 140.6 secs Computing kpt #: 293 total cpu time spent up to now is 141.0 secs Computing kpt #: 294 total cpu time spent up to now is 141.4 secs Computing kpt #: 295 total cpu time spent up to now is 141.8 secs Computing kpt #: 296 total cpu time spent up to now is 142.2 secs Computing kpt #: 297 total cpu time spent up to now is 142.7 secs Computing kpt #: 298 total cpu time spent up to now is 143.3 secs Computing kpt #: 299 total cpu time spent up to now is 143.9 secs Computing kpt #: 300 total cpu time spent up to now is 144.4 secs Computing kpt #: 301 total cpu time spent up to now is 144.8 secs Computing kpt #: 302 total cpu time spent up to now is 145.2 secs Computing kpt #: 303 total cpu time spent up to now is 145.5 secs Computing kpt #: 304 total cpu time spent up to now is 145.9 secs Computing kpt #: 305 total cpu time spent up to now is 146.3 secs Computing kpt #: 306 total cpu time spent up to now is 146.6 secs Computing kpt #: 307 total cpu time spent up to now is 147.0 secs Computing kpt #: 308 total cpu time spent up to now is 147.4 secs Computing kpt #: 309 total cpu time spent up to now is 147.8 secs Computing kpt #: 310 total cpu time spent up to now is 148.2 secs Computing kpt #: 311 total cpu time spent up to now is 148.6 secs Computing kpt #: 312 total cpu time spent up to now is 149.0 secs Computing kpt #: 313 total cpu time spent up to now is 149.4 secs Computing kpt #: 314 total cpu time spent up to now is 149.8 secs Computing kpt #: 315 total cpu time spent up to now is 150.2 secs Computing kpt #: 316 total cpu time spent up to now is 150.6 secs Computing kpt #: 317 total cpu time spent up to now is 151.0 secs Computing kpt #: 318 total cpu time spent up to now is 151.4 secs Computing kpt #: 319 total cpu time spent up to now is 151.8 secs Computing kpt #: 320 total cpu time spent up to now is 152.2 secs Computing kpt #: 321 total cpu time spent up to now is 152.6 secs Computing kpt #: 322 total cpu time spent up to now is 153.0 secs Computing kpt #: 323 total cpu time spent up to now is 153.4 secs Computing kpt #: 324 total cpu time spent up to now is 153.8 secs Computing kpt #: 325 total cpu time spent up to now is 154.2 secs Computing kpt #: 326 total cpu time spent up to now is 154.6 secs Computing kpt #: 327 total cpu time spent up to now is 155.0 secs Computing kpt #: 328 total cpu time spent up to now is 155.4 secs Computing kpt #: 329 total cpu time spent up to now is 155.8 secs Computing kpt #: 330 total cpu time spent up to now is 156.2 secs Computing kpt #: 331 total cpu time spent up to now is 156.6 secs Computing kpt #: 332 total cpu time spent up to now is 157.0 secs Computing kpt #: 333 total cpu time spent up to now is 157.3 secs Computing kpt #: 334 total cpu time spent up to now is 157.7 secs Computing kpt #: 335 total cpu time spent up to now is 158.2 secs Computing kpt #: 336 total cpu time spent up to now is 158.6 secs Computing kpt #: 337 total cpu time spent up to now is 159.0 secs Computing kpt #: 338 total cpu time spent up to now is 159.4 secs Computing kpt #: 339 total cpu time spent up to now is 159.8 secs Computing kpt #: 340 total cpu time spent up to now is 160.2 secs Computing kpt #: 341 total cpu time spent up to now is 160.6 secs Computing kpt #: 342 total cpu time spent up to now is 161.0 secs Computing kpt #: 343 total cpu time spent up to now is 161.4 secs Computing kpt #: 344 total cpu time spent up to now is 161.8 secs Computing kpt #: 345 total cpu time spent up to now is 162.2 secs Computing kpt #: 346 total cpu time spent up to now is 162.6 secs Computing kpt #: 347 total cpu time spent up to now is 163.0 secs Computing kpt #: 348 total cpu time spent up to now is 163.5 secs Computing kpt #: 349 total cpu time spent up to now is 163.8 secs Computing kpt #: 350 total cpu time spent up to now is 164.3 secs Computing kpt #: 351 total cpu time spent up to now is 164.7 secs Computing kpt #: 352 total cpu time spent up to now is 165.1 secs Computing kpt #: 353 total cpu time spent up to now is 165.6 secs Computing kpt #: 354 total cpu time spent up to now is 166.0 secs Computing kpt #: 355 total cpu time spent up to now is 166.6 secs Computing kpt #: 356 total cpu time spent up to now is 167.1 secs ethr = 3.57E-08, avg # of iterations = 20.3 total cpu time spent up to now is 167.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4279 PWs) bands (ev): -91.3404 -91.3404 -90.1624 -90.1624 -90.1256 -90.1256 -90.1256 -90.1256 -90.1256 -90.1256 -1.1803 -1.1803 5.5296 5.5296 5.7997 5.7997 5.7997 5.7997 5.8259 5.8259 7.1023 7.1023 7.1023 7.1023 9.5566 9.5566 9.5566 9.5566 9.5610 9.5610 12.4075 12.4075 12.4157 12.4157 12.4157 12.4157 k = 0.0093-0.0053 0.0076 ( 4279 PWs) bands (ev): -91.3404 -91.3404 -90.1624 -90.1624 -90.1256 -90.1256 -90.1256 -90.1256 -90.1256 -90.1256 -1.1791 -1.1791 5.5252 5.5252 5.7992 5.7992 5.8013 5.8013 5.8264 5.8264 7.1010 7.1010 7.1034 7.1034 9.5525 9.5525 9.5552 9.5552 9.5600 9.5600 12.4001 12.4001 12.4159 12.4159 12.4217 12.4217 k = 0.0185-0.0107 0.0151 ( 4279 PWs) bands (ev): -91.3404 -91.3404 -90.1624 -90.1624 -90.1256 -90.1256 -90.1256 -90.1256 -90.1256 -90.1256 -1.1756 -1.1756 5.5125 5.5125 5.7983 5.7983 5.8045 5.8045 5.8283 5.8283 7.0987 7.0987 7.1052 7.1052 9.5416 9.5416 9.5489 9.5489 9.5578 9.5578 12.3661 12.3661 12.4304 12.4304 12.4384 12.4384 k = 0.0278-0.0160 0.0227 ( 4280 PWs) bands (ev): -91.3404 -91.3404 -90.1623 -90.1623 -90.1257 -90.1257 -90.1256 -90.1256 -90.1256 -90.1256 -1.1698 -1.1698 5.4928 5.4928 5.7966 5.7966 5.8071 5.8071 5.8325 5.8325 7.0953 7.0953 7.1080 7.1080 9.5247 9.5247 9.5361 9.5361 9.5556 9.5556 12.3103 12.3103 12.4556 12.4556 12.4655 12.4655 k = 0.0370-0.0214 0.0302 ( 4280 PWs) bands (ev): -91.3404 -91.3404 -90.1623 -90.1623 -90.1257 -90.1257 -90.1256 -90.1256 -90.1256 -90.1256 -1.1615 -1.1615 5.4678 5.4678 5.7944 5.7944 5.8077 5.8077 5.8389 5.8389 7.0910 7.0910 7.1119 7.1119 9.5024 9.5024 9.5176 9.5176 9.5526 9.5526 12.2357 12.2357 12.4908 12.4908 12.5027 12.5027 k = 0.0463-0.0267 0.0378 ( 4280 PWs) bands (ev): -91.3403 -91.3403 -90.1622 -90.1622 -90.1258 -90.1258 -90.1256 -90.1256 -90.1256 -90.1256 -1.1510 -1.1510 5.4387 5.4387 5.7915 5.7915 5.8064 5.8064 5.8456 5.8456 7.0863 7.0863 7.1168 7.1168 9.4751 9.4751 9.4938 9.4938 9.5483 9.5483 12.1454 12.1454 12.5356 12.5356 12.5493 12.5493 k = 0.0556-0.0321 0.0454 ( 4280 PWs) bands (ev): -91.3403 -91.3403 -90.1621 -90.1621 -90.1259 -90.1259 -90.1256 -90.1256 -90.1256 -90.1256 -1.1381 -1.1381 5.4066 5.4066 5.7880 5.7880 5.8038 5.8038 5.8507 5.8507 7.0817 7.0817 7.1228 7.1228 9.4434 9.4434 9.4653 9.4653 9.5424 9.5424 12.0424 12.0424 12.5894 12.5894 12.6049 12.6049 k = 0.0648-0.0374 0.0529 ( 4272 PWs) bands (ev): -91.3403 -91.3403 -90.1620 -90.1620 -90.1260 -90.1260 -90.1256 -90.1256 -90.1256 -90.1256 -1.1229 -1.1229 5.3723 5.3723 5.7838 5.7838 5.8002 5.8002 5.8528 5.8528 7.0776 7.0776 7.1298 7.1298 9.4078 9.4078 9.4327 9.4327 9.5345 9.5345 11.9300 11.9300 12.6516 12.6516 12.6687 12.6687 k = 0.0741-0.0428 0.0605 ( 4272 PWs) bands (ev): -91.3403 -91.3403 -90.1619 -90.1619 -90.1261 -90.1261 -90.1256 -90.1256 -90.1256 -90.1256 -1.1053 -1.1053 5.3363 5.3363 5.7790 5.7790 5.7959 5.7959 5.8509 5.8509 7.0747 7.0747 7.1378 7.1378 9.3688 9.3688 9.3965 9.3965 9.5239 9.5239 11.8107 11.8107 12.7218 12.7218 12.7403 12.7403 k = 0.0833-0.0481 0.0680 ( 4284 PWs) bands (ev): -91.3403 -91.3403 -90.1618 -90.1618 -90.1262 -90.1262 -90.1256 -90.1256 -90.1256 -90.1256 -1.0854 -1.0854 5.2991 5.2991 5.7736 5.7736 5.7908 5.7908 5.8445 5.8445 7.0733 7.0733 7.1469 7.1469 9.3271 9.3271 9.3573 9.3573 9.5102 9.5102 11.6874 11.6874 12.7992 12.7992 12.8189 12.8189 k = 0.0926-0.0535 0.0756 ( 4268 PWs) bands (ev): -91.3403 -91.3403 -90.1616 -90.1616 -90.1264 -90.1264 -90.1256 -90.1256 -90.1256 -90.1256 -1.0632 -1.0632 5.2609 5.2609 5.7676 5.7676 5.7851 5.7851 5.8331 5.8331 7.0740 7.0740 7.1569 7.1569 9.2831 9.2831 9.3156 9.3156 9.4928 9.4928 11.5623 11.5623 12.8834 12.8834 12.9039 12.9039 k = 0.1019-0.0588 0.0832 ( 4256 PWs) bands (ev): -91.3403 -91.3403 -90.1615 -90.1615 -90.1265 -90.1265 -90.1256 -90.1256 -90.1256 -90.1256 -1.0386 -1.0386 5.2219 5.2219 5.7608 5.7608 5.7787 5.7787 5.8165 5.8165 7.0768 7.0768 7.1679 7.1679 9.2373 9.2373 9.2720 9.2720 9.4708 9.4708 11.4378 11.4378 12.9736 12.9736 12.9949 12.9949 k = 0.1111-0.0642 0.0907 ( 4256 PWs) bands (ev): -91.3403 -91.3403 -90.1613 -90.1613 -90.1267 -90.1267 -90.1256 -90.1256 -90.1256 -90.1256 -1.0117 -1.0117 5.1824 5.1824 5.7530 5.7530 5.7713 5.7713 5.7952 5.7952 7.0818 7.0818 7.1799 7.1799 9.1902 9.1902 9.2268 9.2268 9.4437 9.4437 11.3157 11.3157 13.0695 13.0695 13.0913 13.0913 k = 0.1204-0.0695 0.0983 ( 4256 PWs) bands (ev): -91.3403 -91.3403 -90.1611 -90.1611 -90.1269 -90.1269 -90.1256 -90.1256 -90.1256 -90.1256 -0.9825 -0.9825 5.1425 5.1425 5.7430 5.7430 5.7612 5.7612 5.7726 5.7726 7.0891 7.0891 7.1927 7.1927 9.1421 9.1421 9.1805 9.1805 9.4106 9.4106 11.1979 11.1979 13.1704 13.1704 13.1926 13.1926 k = 0.1296-0.0748 0.1058 ( 4264 PWs) bands (ev): -91.3403 -91.3403 -90.1609 -90.1609 -90.1271 -90.1271 -90.1256 -90.1256 -90.1256 -90.1256 -0.9510 -0.9510 5.1022 5.1022 5.7231 5.7231 5.7452 5.7452 5.7594 5.7594 7.0983 7.0983 7.2063 7.2063 9.0934 9.0934 9.1335 9.1335 9.3710 9.3710 11.0861 11.0861 13.2759 13.2759 13.2983 13.2983 k = 0.1389-0.0802 0.1134 ( 4256 PWs) bands (ev): -91.3403 -91.3403 -90.1607 -90.1607 -90.1273 -90.1273 -90.1256 -90.1256 -90.1256 -90.1256 -0.9171 -0.9171 5.0616 5.0616 5.6890 5.6890 5.7338 5.7338 5.7502 5.7502 7.1090 7.1090 7.2208 7.2208 9.0444 9.0444 9.0861 9.0861 9.3243 9.3243 10.9817 10.9817 13.3855 13.3855 13.4079 13.4079 k = 0.1481-0.0855 0.1210 ( 4260 PWs) bands (ev): -91.3403 -91.3403 -90.1604 -90.1604 -90.1276 -90.1276 -90.1256 -90.1256 -90.1256 -90.1256 -0.8810 -0.8810 5.0209 5.0209 5.6478 5.6478 5.7239 5.7239 5.7411 5.7411 7.1208 7.1208 7.2360 7.2360 8.9953 8.9954 9.0385 9.0385 9.2705 9.2705 10.8857 10.8857 13.4987 13.4987 13.5211 13.5211 k = 0.1574-0.0909 0.1285 ( 4260 PWs) bands (ev): -91.3403 -91.3403 -90.1602 -90.1602 -90.1278 -90.1278 -90.1256 -90.1256 -90.1256 -90.1256 -0.8426 -0.8426 4.9799 4.9799 5.6020 5.6020 5.7142 5.7142 5.7318 5.7318 7.1329 7.1329 7.2519 7.2519 8.9464 8.9464 8.9911 8.9911 9.2097 9.2097 10.7989 10.7989 13.6152 13.6152 13.6373 13.6373 k = 0.1667-0.0962 0.1361 ( 4252 PWs) bands (ev): -91.3403 -91.3403 -90.1599 -90.1599 -90.1281 -90.1281 -90.1256 -90.1256 -90.1256 -90.1256 -0.8019 -0.8019 4.9387 4.9387 5.5525 5.5525 5.7042 5.7042 5.7221 5.7221 7.1447 7.1447 7.2685 7.2685 8.8977 8.8977 8.9440 8.9440 9.1428 9.1428 10.7215 10.7215 13.7344 13.7344 13.7560 13.7560 k = 0.1759-0.1016 0.1436 ( 4264 PWs) bands (ev): -91.3403 -91.3403 -90.1597 -90.1597 -90.1283 -90.1283 -90.1256 -90.1256 -90.1256 -90.1256 -0.7589 -0.7589 4.8972 4.8972 5.4999 5.4999 5.6939 5.6939 5.7121 5.7121 7.1552 7.1552 7.2857 7.2857 8.8495 8.8495 8.8973 8.8973 9.0708 9.0708 10.6534 10.6534 13.8557 13.8557 13.8766 13.8766 k = 0.1852-0.1069 0.1512 ( 4256 PWs) bands (ev): -91.3403 -91.3403 -90.1594 -90.1594 -90.1286 -90.1286 -90.1256 -90.1256 -90.1256 -90.1256 -0.7136 -0.7136 4.8554 4.8554 5.4449 5.4449 5.6834 5.6834 5.7018 5.7018 7.1636 7.1636 7.3034 7.3034 8.8016 8.8016 8.8513 8.8513 8.9956 8.9956 10.5939 10.5939 13.9735 13.9735 13.9859 13.9859 k = 0.1944-0.1123 0.1588 ( 4252 PWs) bands (ev): -91.3403 -91.3403 -90.1591 -90.1591 -90.1289 -90.1289 -90.1256 -90.1256 -90.1256 -90.1256 -0.6661 -0.6661 4.8131 4.8131 5.3878 5.3878 5.6725 5.6725 5.6912 5.6912 7.1686 7.1686 7.3217 7.3217 8.7540 8.7540 8.8060 8.8060 8.9195 8.9195 10.5425 10.5425 14.0065 14.0065 14.1046 14.1046 k = 0.2037-0.1176 0.1663 ( 4252 PWs) bands (ev): -91.3403 -91.3403 -90.1587 -90.1587 -90.1292 -90.1292 -90.1256 -90.1256 -90.1256 -90.1256 -0.6163 -0.6163 4.7701 4.7701 5.3292 5.3292 5.6614 5.6614 5.6803 5.6803 7.1692 7.1692 7.3403 7.3403 8.7065 8.7065 8.7615 8.7615 8.8450 8.8450 10.4979 10.4979 14.0323 14.0323 14.2295 14.2296 k = 0.2130-0.1230 0.1739 ( 4252 PWs) bands (ev): -91.3403 -91.3403 -90.1584 -90.1584 -90.1296 -90.1296 -90.1256 -90.1256 -90.1256 -90.1256 -0.5643 -0.5643 4.7263 4.7263 5.2696 5.2696 5.6501 5.6501 5.6691 5.6691 7.1641 7.1641 7.3595 7.3595 8.6586 8.6586 8.7176 8.7176 8.7751 8.7751 10.4594 10.4594 14.0592 14.0592 14.3545 14.3545 k = 0.2222-0.1283 0.1814 ( 4232 PWs) bands (ev): -91.3403 -91.3403 -90.1581 -90.1581 -90.1299 -90.1299 -90.1256 -90.1256 -90.1256 -90.1256 -0.5101 -0.5101 4.6814 4.6814 5.2096 5.2096 5.6386 5.6386 5.6578 5.6578 7.1519 7.1519 7.3789 7.3789 8.6101 8.6101 8.6743 8.6743 8.7128 8.7128 10.4259 10.4259 14.0875 14.0875 14.4786 14.4787 k = 0.2315-0.1336 0.1890 ( 4240 PWs) bands (ev): -91.3403 -91.3403 -90.1577 -90.1577 -90.1303 -90.1303 -90.1256 -90.1256 -90.1256 -90.1256 -0.4536 -0.4536 4.6350 4.6350 5.1495 5.1495 5.6270 5.6270 5.6463 5.6463 7.1317 7.1317 7.3987 7.3987 8.5615 8.5615 8.6315 8.6315 8.6595 8.6595 10.3966 10.3966 14.1172 14.1172 14.6008 14.6008 k = 0.2407-0.1390 0.1966 ( 4248 PWs) bands (ev): -91.3403 -91.3403 -90.1574 -90.1574 -90.1306 -90.1306 -90.1256 -90.1256 -90.1256 -90.1256 -0.3949 -0.3949 4.5867 4.5867 5.0901 5.0901 5.6152 5.6152 5.6347 5.6347 7.1026 7.1026 7.4188 7.4188 8.5148 8.5148 8.5901 8.5901 8.6144 8.6144 10.3707 10.3707 14.1484 14.1484 14.7198 14.7199 k = 0.2500-0.1443 0.2041 ( 4256 PWs) bands (ev): -91.3403 -91.3403 -90.1570 -90.1570 -90.1310 -90.1310 -90.1256 -90.1256 -90.1256 -90.1256 -0.3341 -0.3341 4.5361 4.5361 5.0319 5.0319 5.6033 5.6033 5.6230 5.6230 7.0641 7.0641 7.4390 7.4390 8.4722 8.4722 8.5515 8.5515 8.5750 8.5750 10.3475 10.3475 14.1811 14.1811 14.8345 14.8346 k = 0.2593-0.1497 0.2117 ( 4256 PWs) bands (ev): -91.3403 -91.3403 -90.1566 -90.1566 -90.1314 -90.1314 -90.1256 -90.1256 -90.1256 -90.1256 -0.2711 -0.2711 4.4827 4.4827 4.9755 4.9755 5.5915 5.5915 5.6113 5.6113 7.0166 7.0166 7.4594 7.4594 8.4347 8.4347 8.5161 8.5161 8.5405 8.5405 10.3266 10.3266 14.2154 14.2154 14.9435 14.9436 k = 0.2685-0.1550 0.2192 ( 4236 PWs) bands (ev): -91.3403 -91.3403 -90.1562 -90.1562 -90.1318 -90.1318 -90.1256 -90.1256 -90.1256 -90.1256 -0.2060 -0.2060 4.4259 4.4259 4.9213 4.9213 5.5796 5.5796 5.5996 5.5996 6.9607 6.9607 7.4798 7.4798 8.4021 8.4021 8.4830 8.4830 8.5119 8.5119 10.3074 10.3074 14.2513 14.2513 15.0454 15.0455 k = 0.2778-0.1604 0.2268 ( 4240 PWs) bands (ev): -91.3403 -91.3403 -90.1558 -90.1558 -90.1322 -90.1322 -90.1256 -90.1256 -90.1256 -90.1256 -0.1387 -0.1387 4.3655 4.3655 4.8699 4.8699 5.5677 5.5677 5.5879 5.5879 6.8977 6.8977 7.5002 7.5002 8.3729 8.3729 8.4512 8.4512 8.4911 8.4911 10.2896 10.2896 14.2888 14.2888 15.1392 15.1392 k = 0.2870-0.1657 0.2344 ( 4244 PWs) bands (ev): -91.3403 -91.3403 -90.1554 -90.1554 -90.1326 -90.1326 -90.1256 -90.1256 -90.1256 -90.1256 -0.0693 -0.0693 4.3011 4.3011 4.8215 4.8215 5.5560 5.5560 5.5763 5.5763 6.8289 6.8289 7.5205 7.5205 8.3455 8.3455 8.4201 8.4201 8.4791 8.4791 10.2729 10.2729 14.3279 14.3279 15.2240 15.2241 k = 0.2963-0.1711 0.2419 ( 4244 PWs) bands (ev): -91.3403 -91.3403 -90.1550 -90.1550 -90.1330 -90.1330 -90.1256 -90.1256 -90.1256 -90.1256 0.0022 0.0022 4.2325 4.2325 4.7765 4.7765 5.5444 5.5444 5.5648 5.5648 6.7559 6.7559 7.5406 7.5406 8.3188 8.3188 8.3900 8.3900 8.4758 8.4758 10.2570 10.2570 14.3685 14.3685 15.2998 15.2998 k = 0.3056-0.1764 0.2495 ( 4256 PWs) bands (ev): -91.3403 -91.3403 -90.1546 -90.1546 -90.1334 -90.1334 -90.1256 -90.1256 -90.1256 -90.1256 0.0757 0.0757 4.1598 4.1598 4.7347 4.7347 5.5329 5.5329 5.5535 5.5535 6.6803 6.6803 7.5605 7.5605 8.2926 8.2926 8.3611 8.3611 8.4799 8.4799 10.2418 10.2418 14.4107 14.4107 15.3669 15.3669 k = 0.3148-0.1818 0.2570 ( 4252 PWs) bands (ev): -91.3403 -91.3403 -90.1541 -90.1541 -90.1339 -90.1339 -90.1256 -90.1256 -90.1256 -90.1256 0.1512 0.1512 4.0830 4.0830 4.6961 4.6961 5.5217 5.5217 5.5423 5.5423 6.6035 6.6035 7.5800 7.5800 8.2670 8.2670 8.3334 8.3334 8.4901 8.4901 10.2270 10.2270 14.4545 14.4545 15.4256 15.4258 k = 0.3241-0.1871 0.2646 ( 4236 PWs) bands (ev): -91.3403 -91.3403 -90.1537 -90.1537 -90.1343 -90.1343 -90.1256 -90.1256 -90.1256 -90.1256 0.2288 0.2288 4.0023 4.0023 4.6607 4.6607 5.5107 5.5107 5.5315 5.5315 6.5266 6.5266 7.5991 7.5991 8.2422 8.2422 8.3070 8.3070 8.5051 8.5051 10.2126 10.2126 14.4998 14.4998 15.4770 15.4772 k = 0.3333-0.1925 0.2722 ( 4228 PWs) bands (ev): -91.3403 -91.3403 -90.1532 -90.1532 -90.1348 -90.1348 -90.1256 -90.1256 -90.1256 -90.1256 0.3083 0.3083 3.9179 3.9179 4.6281 4.6281 5.5000 5.5000 5.5209 5.5209 6.4506 6.4506 7.6178 7.6178 8.2184 8.2184 8.2821 8.2821 8.5239 8.5239 10.1986 10.1986 14.5465 14.5465 15.5219 15.5220 k = 0.3426-0.1978 0.2797 ( 4236 PWs) bands (ev): -91.3403 -91.3403 -90.1527 -90.1527 -90.1353 -90.1353 -90.1256 -90.1256 -90.1256 -90.1256 0.3897 0.3897 3.8303 3.8303 4.5981 4.5981 5.4896 5.4896 5.5107 5.5107 6.3765 6.3765 7.6359 7.6359 8.1957 8.1957 8.2586 8.2586 8.5453 8.5453 10.1847 10.1847 14.5945 14.5945 15.5613 15.5618 k = 0.3519-0.2031 0.2873 ( 4248 PWs) bands (ev): -91.3403 -91.3403 -90.1523 -90.1523 -90.1357 -90.1357 -90.1256 -90.1256 -90.1256 -90.1256 0.4729 0.4729 3.7395 3.7395 4.5707 4.5707 5.4796 5.4796 5.5008 5.5008 6.3049 6.3049 7.6534 7.6534 8.1741 8.1741 8.2364 8.2364 8.5687 8.5687 10.1710 10.1710 14.6438 14.6438 15.5960 15.5960 k = 0.3611-0.2085 0.2948 ( 4248 PWs) bands (ev): -91.3403 -91.3403 -90.1518 -90.1518 -90.1362 -90.1362 -90.1256 -90.1256 -90.1256 -90.1256 0.5580 0.5580 3.6460 3.6460 4.5455 4.5455 5.4701 5.4701 5.4913 5.4913 6.2364 6.2364 7.6702 7.6702 8.1538 8.1538 8.2157 8.2157 8.5935 8.5935 10.1576 10.1576 14.6943 14.6943 15.6266 15.6268 k = 0.3704-0.2138 0.3024 ( 4256 PWs) bands (ev): -91.3403 -91.3403 -90.1513 -90.1513 -90.1367 -90.1367 -90.1256 -90.1256 -90.1256 -90.1256 0.6449 0.6449 3.5501 3.5501 4.5224 4.5224 5.4609 5.4609 5.4823 5.4823 6.1714 6.1714 7.6862 7.6862 8.1348 8.1348 8.1964 8.1964 8.6190 8.6190 10.1443 10.1443 14.7456 14.7456 15.6537 15.6538 k = 0.3796-0.2192 0.3100 ( 4260 PWs) bands (ev): -91.3403 -91.3403 -90.1508 -90.1508 -90.1372 -90.1372 -90.1256 -90.1256 -90.1256 -90.1256 0.7335 0.7335 3.4519 3.4519 4.5013 4.5013 5.4523 5.4523 5.4737 5.4737 6.1103 6.1103 7.7014 7.7014 8.1171 8.1171 8.1786 8.1786 8.6449 8.6449 10.1313 10.1313 14.7976 14.7976 15.6777 15.6781 k = 0.3889-0.2245 0.3175 ( 4252 PWs) bands (ev): -91.3403 -91.3403 -90.1503 -90.1503 -90.1377 -90.1377 -90.1256 -90.1256 -90.1256 -90.1256 0.8236 0.8236 3.3519 3.3519 4.4821 4.4821 5.4441 5.4441 5.4656 5.4656 6.0533 6.0533 7.7157 7.7157 8.1007 8.1007 8.1621 8.1621 8.6706 8.6706 10.1186 10.1186 14.8501 14.8501 15.6992 15.6993 k = 0.3981-0.2299 0.3251 ( 4248 PWs) bands (ev): -91.3403 -91.3403 -90.1498 -90.1498 -90.1382 -90.1382 -90.1256 -90.1256 -90.1256 -90.1256 0.9153 0.9153 3.2502 3.2502 4.4646 4.4646 5.4365 5.4365 5.4581 5.4581 6.0006 6.0006 7.7291 7.7291 8.0856 8.0856 8.1470 8.1470 8.6958 8.6958 10.1063 10.1063 14.9026 14.9026 15.7182 15.7182 k = 0.4074-0.2352 0.3326 ( 4256 PWs) bands (ev): -91.3403 -91.3403 -90.1493 -90.1493 -90.1387 -90.1387 -90.1256 -90.1256 -90.1256 -90.1256 1.0085 1.0085 3.1473 3.1473 4.4489 4.4489 5.4294 5.4294 5.4511 5.4511 5.9523 5.9523 7.7415 7.7415 8.0718 8.0718 8.1333 8.1333 8.7201 8.7201 10.0944 10.0944 14.9547 14.9547 15.7351 15.7352 k = 0.4167-0.2406 0.3402 ( 4272 PWs) bands (ev): -91.3403 -91.3403 -90.1488 -90.1488 -90.1392 -90.1392 -90.1256 -90.1256 -90.1256 -90.1256 1.1028 1.1028 3.0434 3.0434 4.4348 4.4348 5.4230 5.4230 5.4447 5.4447 5.9085 5.9085 7.7528 7.7528 8.0594 8.0594 8.1210 8.1210 8.7433 8.7433 10.0831 10.0831 15.0059 15.0059 15.7501 15.7503 k = 0.4259-0.2459 0.3478 ( 4264 PWs) bands (ev): -91.3403 -91.3403 -90.1483 -90.1483 -90.1397 -90.1397 -90.1256 -90.1256 -90.1256 -90.1256 1.1983 1.1983 2.9390 2.9390 4.4223 4.4223 5.4171 5.4171 5.4389 5.4389 5.8693 5.8693 7.7630 7.7630 8.0483 8.0483 8.1100 8.1100 8.7650 8.7650 10.0725 10.0725 15.0556 15.0556 15.7632 15.7633 k = 0.4352-0.2513 0.3553 ( 4264 PWs) bands (ev): -91.3403 -91.3403 -90.1478 -90.1478 -90.1402 -90.1402 -90.1256 -90.1256 -90.1256 -90.1256 1.2946 1.2946 2.8344 2.8344 4.4113 4.4113 5.4119 5.4119 5.4337 5.4337 5.8347 5.8347 7.7721 7.7721 8.0385 8.0385 8.1004 8.1004 8.7848 8.7848 10.0627 10.0627 15.1030 15.1030 15.7746 15.7746 k = 0.4444-0.2566 0.3629 ( 4264 PWs) bands (ev): -91.3403 -91.3403 -90.1473 -90.1473 -90.1407 -90.1407 -90.1256 -90.1256 -90.1256 -90.1256 1.3913 1.3913 2.7302 2.7302 4.4019 4.4019 5.4074 5.4074 5.4292 5.4292 5.8048 5.8048 7.7801 7.7801 8.0301 8.0301 8.0921 8.0921 8.8027 8.8027 10.0539 10.0539 15.1473 15.1473 15.7843 15.7844 k = 0.4537-0.2619 0.3704 ( 4252 PWs) bands (ev): -91.3403 -91.3403 -90.1468 -90.1468 -90.1412 -90.1412 -90.1256 -90.1256 -90.1256 -90.1256 1.4879 1.4879 2.6270 2.6270 4.3939 4.3939 5.4035 5.4035 5.4254 5.4254 5.7795 5.7795 7.7869 7.7869 8.0229 8.0229 8.0851 8.0851 8.8183 8.8183 10.0461 10.0461 15.1874 15.1874 15.7925 15.7925 k = 0.4630-0.2673 0.3780 ( 4248 PWs) bands (ev): -91.3403 -91.3403 -90.1463 -90.1463 -90.1417 -90.1417 -90.1256 -90.1256 -90.1256 -90.1256 1.5832 1.5832 2.5262 2.5262 4.3874 4.3874 5.4003 5.4003 5.4222 5.4222 5.7588 5.7588 7.7924 7.7924 8.0171 8.0171 8.0794 8.0794 8.8313 8.8313 10.0395 10.0395 15.2224 15.2224 15.7991 15.7991 k = 0.4722-0.2726 0.3856 ( 4256 PWs) bands (ev): -91.3403 -91.3403 -90.1458 -90.1458 -90.1422 -90.1422 -90.1256 -90.1256 -90.1256 -90.1256 1.6752 1.6752 2.4297 2.4297 4.3824 4.3824 5.3978 5.3978 5.4198 5.4198 5.7427 5.7427 7.7968 7.7968 8.0125 8.0125 8.0750 8.0750 8.8417 8.8417 10.0343 10.0343 15.2510 15.2510 15.8042 15.8042 k = 0.4815-0.2780 0.3931 ( 4256 PWs) bands (ev): -91.3403 -91.3403 -90.1453 -90.1453 -90.1427 -90.1427 -90.1256 -90.1256 -90.1256 -90.1256 1.7595 1.7595 2.3422 2.3422 4.3788 4.3788 5.3960 5.3960 5.4180 5.4180 5.7312 5.7312 7.7999 7.7999 8.0093 8.0093 8.0718 8.0718 8.8492 8.8492 10.0305 10.0305 15.2724 15.2724 15.8079 15.8079 k = 0.4907-0.2833 0.4007 ( 4264 PWs) bands (ev): -91.3403 -91.3403 -90.1449 -90.1449 -90.1431 -90.1431 -90.1256 -90.1256 -90.1256 -90.1256 1.8256 1.8256 2.2741 2.2741 4.3767 4.3767 5.3950 5.3950 5.4169 5.4169 5.7243 5.7243 7.8017 7.8017 8.0074 8.0074 8.0699 8.0699 8.8538 8.8538 10.0281 10.0281 15.2856 15.2856 15.8100 15.8100 k = 0.5000-0.2887 0.4082 ( 4264 PWs) bands (ev): -91.3403 -91.3403 -90.1448 -90.1448 -90.1432 -90.1432 -90.1256 -90.1256 -90.1256 -90.1256 1.8527 1.8527 2.2464 2.2464 4.3760 4.3760 5.3946 5.3946 5.4166 5.4166 5.7221 5.7221 7.8023 7.8023 8.0067 8.0067 8.0693 8.0693 8.8553 8.8553 10.0273 10.0273 15.2900 15.2900 15.8108 15.8108 k = 0.5000-0.2887 0.4082 ( 4264 PWs) bands (ev): -91.3403 -91.3403 -90.1448 -90.1448 -90.1432 -90.1432 -90.1256 -90.1256 -90.1256 -90.1256 1.8527 1.8527 2.2464 2.2464 4.3760 4.3760 5.3946 5.3946 5.4166 5.4166 5.7221 5.7221 7.8023 7.8023 8.0067 8.0067 8.0693 8.0693 8.8553 8.8553 10.0273 10.0273 15.2900 15.2900 15.8108 15.8108 k = 0.5000-0.2780 0.4158 ( 4264 PWs) bands (ev): -91.3403 -91.3403 -90.1448 -90.1448 -90.1432 -90.1432 -90.1256 -90.1256 -90.1256 -90.1256 1.8539 1.8539 2.2471 2.2473 4.3688 4.3696 5.3652 5.3655 5.4152 5.4157 5.7606 5.7612 7.8020 7.8036 8.0055 8.0074 8.0679 8.0702 8.8544 8.8563 10.0268 10.0279 15.2655 15.2658 15.7940 15.7943 k = 0.5000-0.2673 0.4234 ( 4252 PWs) bands (ev): -91.3403 -91.3403 -90.1448 -90.1448 -90.1432 -90.1432 -90.1256 -90.1256 -90.1256 -90.1256 1.8572 1.8572 2.2495 2.2499 4.3487 4.3502 5.2828 5.2832 5.4357 5.4368 5.8469 5.8478 7.8025 7.8058 8.0039 8.0075 8.0659 8.0708 8.8537 8.8574 10.0263 10.0284 15.1999 15.2003 15.7431 15.7438 k = 0.5000-0.2566 0.4309 ( 4240 PWs) bands (ev): -91.3403 -91.3403 -90.1448 -90.1448 -90.1432 -90.1432 -90.1256 -90.1256 -90.1256 -90.1256 1.8628 1.8629 2.2536 2.2541 4.3173 4.3195 5.1835 5.1839 5.4707 5.4723 5.9504 5.9514 7.8038 7.8089 8.0018 8.0069 8.0633 8.0711 8.8532 8.8588 10.0258 10.0289 15.1076 15.1079 15.6639 15.6649 k = 0.5000-0.2459 0.4385 ( 4234 PWs) bands (ev): -91.3403 -91.3403 -90.1448 -90.1448 -90.1432 -90.1432 -90.1256 -90.1256 -90.1256 -90.1256 1.8707 1.8707 2.2593 2.2599 4.2767 4.2794 5.0789 5.0792 5.5171 5.5190 6.0603 6.0616 7.8060 7.8129 7.9992 8.0053 8.0602 8.0715 8.8529 8.8603 10.0252 10.0295 14.9994 14.9994 15.5624 15.5635 k = 0.5000-0.2352 0.4460 ( 4234 PWs) bands (ev): -91.3403 -91.3403 -90.1448 -90.1448 -90.1432 -90.1432 -90.1256 -90.1256 -90.1256 -90.1256 1.8807 1.8807 2.2666 2.2674 4.2289 4.2321 4.9728 4.9731 5.5725 5.5746 6.1728 6.1744 7.8090 7.8179 7.9960 8.0027 8.0567 8.0721 8.8529 8.8622 10.0246 10.0300 14.8818 14.8822 15.4440 15.4452 k = 0.5000-0.2245 0.4536 ( 4238 PWs) bands (ev): -91.3403 -91.3403 -90.1448 -90.1448 -90.1432 -90.1432 -90.1256 -90.1256 -90.1256 -90.1256 1.8929 1.8929 2.2755 2.2765 4.1759 4.1795 4.8667 4.8670 5.6348 5.6372 6.2862 6.2880 7.8128 7.8238 7.9920 7.9987 8.0530 8.0733 8.8532 8.8645 10.0239 10.0305 14.7591 14.7600 15.3133 15.3146 k = 0.5000-0.2138 0.4612 ( 4242 PWs) bands (ev): -91.3403 -91.3403 -90.1448 -90.1448 -90.1432 -90.1432 -90.1256 -90.1256 -90.1256 -90.1256 1.9073 1.9073 2.2861 2.2873 4.1192 4.1231 4.7615 4.7618 5.7026 5.7050 6.3993 6.4014 7.8174 7.8306 7.9871 7.9932 8.0493 8.0754 8.8541 8.8673 10.0231 10.0310 14.6341 14.6356 15.1739 15.1751 k = 0.5000-0.2031 0.4687 ( 4246 PWs) bands (ev): -91.3403 -91.3403 -90.1448 -90.1448 -90.1432 -90.1432 -90.1256 -90.1256 -90.1256 -90.1256 1.9237 1.9238 2.2982 2.2996 4.0599 4.0642 4.6577 4.6579 5.7745 5.7769 6.5113 6.5137 7.8227 7.8383 7.9811 7.9861 8.0460 8.0787 8.8557 8.8708 10.0223 10.0315 14.5086 14.5108 15.0284 15.0295 k = 0.5000-0.1925 0.4763 ( 4244 PWs) bands (ev): -91.3403 -91.3403 -90.1448 -90.1448 -90.1432 -90.1432 -90.1256 -90.1256 -90.1256 -90.1256 1.9423 1.9423 2.3119 2.3135 3.9990 4.0036 4.5556 4.5557 5.8495 5.8518 6.6212 6.6240 7.8286 7.8467 7.9739 7.9772 8.0433 8.0832 8.8580 8.8751 10.0212 10.0319 14.3841 14.3871 14.8790 14.8800 k = 0.5000-0.1818 0.4838 ( 4242 PWs) bands (ev): -91.3403 -91.3403 -90.1448 -90.1448 -90.1432 -90.1432 -90.1256 -90.1256 -90.1256 -90.1256 1.9628 1.9629 2.3271 2.3290 3.9373 3.9422 4.4554 4.4555 5.9266 5.9289 6.7284 6.7315 7.8352 7.8554 7.9655 7.9666 8.0417 8.0894 8.8615 8.8805 10.0201 10.0323 14.2617 14.2655 14.7272 14.7281 k = 0.5000-0.1711 0.4914 ( 4250 PWs) bands (ev): -91.3403 -91.3403 -90.1448 -90.1448 -90.1432 -90.1432 -90.1256 -90.1256 -90.1256 -90.1256 1.9853 1.9854 2.3439 2.3460 3.8752 3.8804 4.3574 4.3575 6.0054 6.0075 6.8319 6.8354 7.8422 7.8640 7.9542 7.9564 8.0416 8.0973 8.8662 8.8872 10.0188 10.0325 14.1422 14.1469 14.5746 14.5754 k = 0.5000-0.1604 0.4990 ( 4250 PWs) bands (ev): -91.3403 -91.3403 -90.1448 -90.1448 -90.1432 -90.1432 -90.1256 -90.1256 -90.1256 -90.1256 2.0096 2.0097 2.3621 2.3644 3.8133 3.8188 4.2618 4.2619 6.0850 6.0869 6.9308 6.9347 7.8495 7.8709 7.9401 7.9474 8.0435 8.1073 8.8726 8.8954 10.0173 10.0327 14.0264 14.0321 14.4224 14.4229 k = 0.5000-0.1497 0.5065 ( 4258 PWs) bands (ev): -91.3403 -91.3403 -90.1448 -90.1448 -90.1432 -90.1432 -90.1256 -90.1256 -90.1256 -90.1256 2.0356 2.0357 2.3817 2.3843 3.7518 3.7576 4.1687 4.1688 6.1651 6.1666 7.0242 7.0284 7.8569 7.8738 7.9244 7.9406 8.0479 8.1194 8.8809 8.9056 10.0156 10.0327 13.9150 13.9217 14.2716 14.2719 k = 0.5000-0.1390 0.5141 ( 4256 PWs) bands (ev): -91.3403 -91.3403 -90.1448 -90.1448 -90.1432 -90.1432 -90.1256 -90.1256 -90.1256 -90.1256 2.0632 2.0633 2.4026 2.4056 3.6912 3.6974 4.0785 4.0785 6.2451 6.2462 7.1112 7.1156 7.8641 7.8698 7.9072 7.9382 8.0557 8.1340 8.8915 8.9179 10.0137 10.0326 13.8085 13.8164 14.1233 14.1234 k = 0.5000-0.1283 0.5217 ( 4260 PWs) bands (ev): -91.3403 -91.3403 -90.1448 -90.1448 -90.1432 -90.1432 -90.1256 -90.1256 -90.1256 -90.1256 2.0922 2.0924 2.4247 2.4281 3.6317 3.6382 3.9912 3.9913 6.3245 6.3252 7.1909 7.1953 7.8583 7.8696 7.8898 7.9400 8.0673 8.1509 8.9047 8.9327 10.0117 10.0325 13.7075 13.7166 13.9783 13.9785 k = 0.5000-0.1176 0.5292 ( 4256 PWs) bands (ev): -91.3403 -91.3403 -90.1448 -90.1448 -90.1432 -90.1432 -90.1256 -90.1256 -90.1256 -90.1256 2.1225 2.1226 2.4480 2.4518 3.5735 3.5805 3.9073 3.9074 6.4029 6.4030 7.2627 7.2669 7.8414 7.8622 7.8832 7.9436 8.0832 8.1701 8.9209 8.9502 10.0095 10.0322 13.6124 13.6229 13.8378 13.8384 k = 0.5000-0.1069 0.5368 ( 4260 PWs) bands (ev): -91.3403 -91.3403 -90.1448 -90.1448 -90.1432 -90.1432 -90.1256 -90.1256 -90.1256 -90.1256 2.1536 2.1537 2.4723 2.4766 3.5170 3.5245 3.8270 3.8270 6.4792 6.4799 7.3262 7.3298 7.8210 7.8415 7.8879 7.9470 8.1029 8.1910 8.9402 8.9705 10.0073 10.0318 13.5237 13.5357 13.7029 13.7041 k = 0.5000-0.0962 0.5443 ( 4262 PWs) bands (ev): -91.3403 -91.3403 -90.1448 -90.1448 -90.1432 -90.1432 -90.1256 -90.1256 -90.1256 -90.1256 2.1853 2.1855 2.4974 2.5022 3.4624 3.4704 3.7507 3.7507 6.5532 6.5548 7.3813 7.3840 7.7980 7.8179 7.8932 7.9495 8.1255 8.2129 8.9626 8.9937 10.0049 10.0313 13.4416 13.4554 13.5748 13.5770 k = 0.5000-0.0855 0.5519 ( 4256 PWs) bands (ev): -91.3403 -91.3403 -90.1448 -90.1448 -90.1432 -90.1432 -90.1256 -90.1256 -90.1256 -90.1256 2.2172 2.2174 2.5230 2.5284 3.4101 3.4187 3.6788 3.6788 6.6245 6.6272 7.4283 7.4296 7.7734 7.7928 7.8981 7.9509 8.1494 8.2349 8.9879 9.0192 10.0025 10.0307 13.3661 13.3825 13.4548 13.4586 k = 0.5000-0.0748 0.5595 ( 4256 PWs) bands (ev): -91.3403 -91.3403 -90.1448 -90.1448 -90.1432 -90.1432 -90.1256 -90.1256 -90.1256 -90.1256 2.2488 2.2489 2.5487 2.5548 3.3605 3.3698 3.6119 3.6119 6.6921 6.6962 7.4669 7.4676 7.7479 7.7667 7.9023 7.9516 8.1733 8.2560 9.0153 9.0466 10.0002 10.0301 13.2957 13.3171 13.3441 13.3521 k = 0.5000-0.0642 0.5670 ( 4252 PWs) bands (ev): -91.3403 -91.3403 -90.1448 -90.1448 -90.1432 -90.1432 -90.1256 -90.1256 -90.1256 -90.1256 2.2792 2.2794 2.5742 2.5811 3.3140 3.3241 3.5508 3.5508 6.7554 6.7611 7.4965 7.4999 7.7223 7.7401 7.9058 7.9518 8.1958 8.2754 9.0439 9.0748 9.9980 10.0295 13.2240 13.2433 13.2607 13.2657 k = 0.5000-0.0535 0.5746 ( 4252 PWs) bands (ev): -91.3403 -91.3403 -90.1448 -90.1448 -90.1432 -90.1432 -90.1256 -90.1256 -90.1256 -90.1256 2.3078 2.3080 2.5988 2.6066 3.2714 3.2823 3.4962 3.4962 6.8133 6.8208 7.5185 7.5261 7.6979 7.7138 7.9086 7.9516 8.2159 8.2923 9.0721 9.1025 9.9960 10.0289 13.1465 13.1556 13.2056 13.2115 k = 0.5000-0.0428 0.5821 ( 4252 PWs) bands (ev): -91.3403 -91.3403 -90.1448 -90.1448 -90.1432 -90.1432 -90.1256 -90.1256 -90.1256 -90.1256 2.3336 2.3337 2.6216 2.6303 3.2335 3.2455 3.4491 3.4492 6.8643 6.8740 7.5332 7.5467 7.6764 7.6888 7.9108 7.9512 8.2329 8.3064 9.0985 9.1283 9.9942 10.0284 13.0753 13.0812 13.1614 13.1711 k = 0.5000-0.0321 0.5897 ( 4258 PWs) bands (ev): -91.3403 -91.3403 -90.1448 -90.1448 -90.1432 -90.1432 -90.1256 -90.1256 -90.1256 -90.1256 2.3554 2.3555 2.6416 2.6512 3.2017 3.2145 3.4108 3.4108 6.9070 6.9189 7.5406 7.5626 7.6598 7.6662 7.9125 7.9507 8.2463 8.3174 9.1212 9.1504 9.9927 10.0279 13.0170 13.0216 13.1279 13.1395 k = 0.5000-0.0214 0.5973 ( 4256 PWs) bands (ev): -91.3403 -91.3403 -90.1448 -90.1448 -90.1432 -90.1432 -90.1256 -90.1256 -90.1256 -90.1256 2.3721 2.3722 2.6573 2.6679 3.1772 3.1909 3.3822 3.3823 6.9395 6.9534 7.5419 7.5741 7.6477 7.6493 7.9136 7.9504 8.2560 8.3252 9.1388 9.1674 9.9916 10.0275 12.9741 12.9781 13.1042 13.1168 k = 0.5000-0.0107 0.6048 ( 4240 PWs) bands (ev): -91.3403 -91.3403 -90.1448 -90.1448 -90.1432 -90.1432 -90.1256 -90.1256 -90.1256 -90.1256 2.3826 2.3827 2.6675 2.6787 3.1616 3.1760 3.3646 3.3646 6.9600 6.9754 7.5403 7.5815 7.6350 7.6441 7.9143 7.9501 8.2618 8.3299 9.1499 9.1782 9.9910 10.0273 12.9479 12.9516 13.0900 13.1031 k = 0.5000-0.0000 0.6124 ( 4240 PWs) bands (ev): -91.3403 -91.3403 -90.1448 -90.1448 -90.1432 -90.1432 -90.1256 -90.1256 -90.1256 -90.1256 2.3862 2.3863 2.6711 2.6825 3.1562 3.1709 3.3586 3.3587 6.9670 6.9830 7.5392 7.5843 7.6303 7.6426 7.9145 7.9500 8.2638 8.3315 9.1537 9.1819 9.9907 10.0272 12.9391 12.9426 13.0853 13.0986 k = 0.5000-0.0000 0.6124 ( 4240 PWs) bands (ev): -91.3403 -91.3403 -90.1448 -90.1448 -90.1432 -90.1432 -90.1256 -90.1256 -90.1256 -90.1256 2.3862 2.3863 2.6711 2.6825 3.1562 3.1709 3.3586 3.3587 6.9670 6.9830 7.5392 7.5843 7.6303 7.6426 7.9145 7.9500 8.2638 8.3315 9.1537 9.1819 9.9907 10.0272 12.9391 12.9426 13.0853 13.0986 k = 0.4934 0.0114 0.6124 ( 4242 PWs) bands (ev): -91.3403 -91.3403 -90.1448 -90.1448 -90.1432 -90.1432 -90.1256 -90.1256 -90.1256 -90.1256 2.3802 2.3808 2.6698 2.6809 3.1492 3.1629 3.3766 3.3775 6.9618 6.9776 7.5391 7.5851 7.6311 7.6458 7.9144 7.9501 8.2628 8.3307 9.1488 9.1768 9.9951 10.0312 12.9421 12.9464 13.0876 13.1011 k = 0.4868 0.0228 0.6124 ( 4253 PWs) bands (ev): -91.3403 -91.3403 -90.1449 -90.1449 -90.1431 -90.1431 -90.1256 -90.1256 -90.1256 -90.1256 2.3661 2.3672 2.6644 2.6749 3.1280 3.1399 3.4286 3.4308 6.9457 6.9611 7.5406 7.5875 7.6347 7.6523 7.9141 7.9505 8.2598 8.3284 9.1346 9.1623 10.0078 10.0429 12.9502 12.9571 13.0946 13.1093 k = 0.4803 0.0342 0.6124 ( 4251 PWs) bands (ev): -91.3403 -91.3403 -90.1451 -90.1451 -90.1429 -90.1429 -90.1256 -90.1256 -90.1256 -90.1256 2.3479 2.3493 2.6544 2.6642 3.0988 3.1093 3.5048 3.5079 6.9186 6.9331 7.5451 7.5910 7.6418 7.6599 7.9139 7.9512 8.2549 8.3245 9.1127 9.1399 10.0278 10.0614 12.9621 12.9731 13.1070 13.1242 k = 0.4737 0.0456 0.6124 ( 4247 PWs) bands (ev): -91.3403 -91.3403 -90.1452 -90.1452 -90.1428 -90.1428 -90.1256 -90.1256 -90.1256 -90.1256 2.3278 2.3295 2.6409 2.6499 3.0669 3.0765 3.5965 3.6000 6.8810 6.8942 7.5529 7.5951 7.6519 7.6680 7.9140 7.9524 8.2479 8.3189 9.0851 9.1118 10.0537 10.0855 12.9763 12.9919 13.1262 13.1467 k = 0.4671 0.0570 0.6124 ( 4245 PWs) bands (ev): -91.3403 -91.3403 -90.1454 -90.1454 -90.1426 -90.1426 -90.1256 -90.1256 -90.1256 -90.1256 2.3072 2.3090 2.6252 2.6334 3.0348 3.0439 3.6985 3.7020 6.8334 6.8449 7.5632 7.5993 7.6637 7.6765 7.9146 7.9541 8.2391 8.3117 9.0537 9.0803 10.0838 10.1135 12.9917 13.0112 13.1536 13.1772 k = 0.4605 0.0684 0.6124 ( 4253 PWs) bands (ev): -91.3403 -91.3403 -90.1456 -90.1456 -90.1424 -90.1424 -90.1256 -90.1256 -90.1256 -90.1256 2.2868 2.2888 2.6082 2.6159 3.0038 3.0125 3.8074 3.8110 6.7765 6.7863 7.5752 7.6033 7.6757 7.6859 7.9161 7.9566 8.2286 8.3029 9.0206 9.0474 10.1163 10.1441 13.0072 13.0293 13.1898 13.2153 k = 0.4539 0.0798 0.6124 ( 4251 PWs) bands (ev): -91.3403 -91.3403 -90.1458 -90.1458 -90.1422 -90.1422 -90.1256 -90.1256 -90.1256 -90.1256 2.2672 2.2692 2.5909 2.5980 2.9745 2.9829 3.9214 3.9249 6.7111 6.7190 7.5877 7.6071 7.6860 7.6972 7.9186 7.9598 8.2166 8.2926 8.9874 9.0146 10.1501 10.1759 13.0228 13.0459 13.2341 13.2602 k = 0.4474 0.0912 0.6124 ( 4252 PWs) bands (ev): -91.3403 -91.3403 -90.1459 -90.1459 -90.1421 -90.1421 -90.1256 -90.1256 -90.1256 -90.1256 2.2486 2.2507 2.5737 2.5803 2.9472 2.9554 4.0392 4.0426 6.6377 6.6440 7.6000 7.6105 7.6947 7.7095 7.9224 7.9642 8.2032 8.2810 8.9555 8.9832 10.1839 10.2078 13.0382 13.0612 13.2851 13.3107 k = 0.4408 0.1026 0.6124 ( 4256 PWs) bands (ev): -91.3403 -91.3403 -90.1461 -90.1461 -90.1419 -90.1419 -90.1256 -90.1256 -90.1256 -90.1256 2.2312 2.2333 2.5572 2.5634 2.9221 2.9302 4.1598 4.1631 6.5570 6.5618 7.6104 7.6144 7.7026 7.7212 7.9277 7.9698 8.1888 8.2681 8.9256 8.9541 10.2170 10.2390 13.0534 13.0758 13.3409 13.3654 k = 0.4342 0.1140 0.6124 ( 4260 PWs) bands (ev): -91.3403 -91.3403 -90.1462 -90.1462 -90.1418 -90.1418 -90.1256 -90.1256 -90.1256 -90.1256 2.2152 2.2173 2.5417 2.5475 2.8993 2.9072 4.2824 4.2856 6.4697 6.4731 7.6149 7.6226 7.7099 7.7315 7.9344 7.9769 8.1737 8.2543 8.8985 8.9277 10.2484 10.2688 13.0685 13.0898 13.3997 13.4228 k = 0.4276 0.1253 0.6124 ( 4256 PWs) bands (ev): -91.3403 -91.3403 -90.1463 -90.1463 -90.1417 -90.1417 -90.1256 -90.1256 -90.1256 -90.1256 2.2007 2.2029 2.5273 2.5328 2.8788 2.8867 4.4065 4.4096 6.3764 6.3786 7.6171 7.6310 7.7167 7.7401 7.9423 7.9857 8.1581 8.2396 8.8745 8.9044 10.2778 10.2966 13.0832 13.1034 13.4599 13.4813 k = 0.4211 0.1367 0.6124 ( 4252 PWs) bands (ev): -91.3403 -91.3403 -90.1464 -90.1464 -90.1416 -90.1416 -90.1256 -90.1256 -90.1256 -90.1256 2.1877 2.1899 2.5143 2.5196 2.8608 2.8685 4.5316 4.5346 6.2778 6.2791 7.6188 7.6382 7.7228 7.7470 7.9513 7.9961 8.1424 8.2243 8.8537 8.8842 10.3046 10.3219 13.0974 13.1163 13.5196 13.5392 k = 0.4145 0.1481 0.6124 ( 4260 PWs) bands (ev): -91.3403 -91.3403 -90.1465 -90.1465 -90.1415 -90.1415 -90.1256 -90.1256 -90.1256 -90.1256 2.1764 2.1786 2.5029 2.5079 2.8451 2.8528 4.6570 4.6599 6.1747 6.1752 7.6200 7.6439 7.7280 7.7525 7.9612 8.0081 8.1269 8.2085 8.8360 8.8671 10.3284 10.3443 13.1107 13.1283 13.5772 13.5947 k = 0.4079 0.1595 0.6124 ( 4250 PWs) bands (ev): -91.3403 -91.3403 -90.1466 -90.1466 -90.1414 -90.1414 -90.1256 -90.1256 -90.1256 -90.1256 2.1668 2.1690 2.4930 2.4979 2.8318 2.8395 4.7820 4.7849 6.0678 6.0680 7.6210 7.6484 7.7322 7.7568 7.9717 8.0211 8.1118 8.1926 8.8215 8.8529 10.3491 10.3638 13.1228 13.1393 13.6308 13.6462 k = 0.4013 0.1709 0.6124 ( 4249 PWs) bands (ev): -91.3403 -91.3403 -90.1467 -90.1467 -90.1413 -90.1413 -90.1256 -90.1256 -90.1256 -90.1256 2.1589 2.1611 2.4849 2.4895 2.8209 2.8286 4.9057 4.9085 5.9583 5.9589 7.6217 7.6518 7.7355 7.7600 7.9828 8.0344 8.0978 8.1765 8.8098 8.8416 10.3663 10.3799 13.1333 13.1488 13.6785 13.6915 k = 0.3947 0.1823 0.6124 ( 4247 PWs) bands (ev): -91.3403 -91.3403 -90.1467 -90.1467 -90.1413 -90.1413 -90.1256 -90.1256 -90.1256 -90.1256 2.1527 2.1549 2.4784 2.4830 2.8125 2.8201 5.0263 5.0289 5.8485 5.8495 7.6222 7.6542 7.7378 7.7625 7.9944 8.0460 8.0863 8.1605 8.8009 8.8330 10.3798 10.3925 13.1420 13.1566 13.7183 13.7290 k = 0.3882 0.1937 0.6124 ( 4247 PWs) bands (ev): -91.3403 -91.3403 -90.1468 -90.1468 -90.1412 -90.1412 -90.1256 -90.1256 -90.1256 -90.1256 2.1483 2.1505 2.4738 2.4783 2.8065 2.8141 5.1399 5.1422 5.7426 5.7439 7.6225 7.6559 7.7394 7.7642 8.0065 8.0500 8.0830 8.1450 8.7947 8.8270 10.3896 10.4017 13.1484 13.1624 13.7485 13.7568 k = 0.3816 0.2051 0.6124 ( 4255 PWs) bands (ev): -91.3403 -91.3403 -90.1468 -90.1468 -90.1412 -90.1412 -90.1256 -90.1256 -90.1256 -90.1256 2.1456 2.1478 2.4711 2.4755 2.8029 2.8105 5.2350 5.2369 5.6523 5.6534 7.6226 7.6568 7.7403 7.7652 8.0188 8.0427 8.0903 8.1310 8.7910 8.8234 10.3955 10.4072 13.1524 13.1659 13.7676 13.7739 k = 0.3750 0.2165 0.6124 ( 4246 PWs) bands (ev): -91.3403 -91.3403 -90.1468 -90.1468 -90.1412 -90.1412 -90.1256 -90.1256 -90.1256 -90.1256 2.1447 2.1469 2.4701 2.4746 2.8016 2.8093 5.2782 5.2796 5.6112 5.6117 7.6227 7.6572 7.7406 7.7655 8.0310 8.0314 8.0962 8.1237 8.7897 8.8222 10.3974 10.4090 13.1537 13.1672 13.7741 13.7797 k = 0.3750 0.2165 0.6124 ( 4246 PWs) bands (ev): -91.3403 -91.3403 -90.1468 -90.1468 -90.1412 -90.1412 -90.1256 -90.1256 -90.1256 -90.1256 2.1447 2.1469 2.4701 2.4746 2.8016 2.8093 5.2782 5.2796 5.6112 5.6117 7.6227 7.6572 7.7406 7.7655 8.0310 8.0314 8.0962 8.1237 8.7897 8.8222 10.3974 10.4090 13.1537 13.1672 13.7741 13.7797 k = 0.3684 0.2127 0.6016 ( 4250 PWs) bands (ev): -91.3403 -91.3403 -90.1471 -90.1471 -90.1409 -90.1409 -90.1256 -90.1256 -90.1256 -90.1256 2.1237 2.1266 2.4793 2.4823 2.7730 2.7797 5.3177 5.3194 5.6310 5.6316 7.6658 7.7072 7.7181 7.7420 8.0441 8.0549 8.1078 8.1324 8.7719 8.8048 10.4777 10.4887 13.0392 13.0534 13.6827 13.6880 k = 0.3618 0.2089 0.5909 ( 4246 PWs) bands (ev): -91.3403 -91.3403 -90.1473 -90.1473 -90.1407 -90.1407 -90.1256 -90.1256 -90.1256 -90.1256 2.0778 2.0810 2.4948 2.4963 2.7684 2.7738 5.3595 5.3614 5.6513 5.6521 7.6914 7.6943 7.7268 7.7491 8.0540 8.0798 8.1240 8.1414 8.7516 8.7846 10.5662 10.5765 12.9267 12.9418 13.5958 13.6009 k = 0.3553 0.2051 0.5801 ( 4253 PWs) bands (ev): -91.3403 -91.3403 -90.1476 -90.1476 -90.1404 -90.1404 -90.1256 -90.1256 -90.1256 -90.1256 2.0103 2.0133 2.5198 2.5201 2.7813 2.7852 5.4033 5.4056 5.6720 5.6731 7.6691 7.6780 7.7421 7.7831 8.0607 8.1043 8.1449 8.1517 8.7289 8.7621 10.6621 10.6718 12.8163 12.8323 13.5135 13.5183 k = 0.3487 0.2013 0.5694 ( 4253 PWs) bands (ev): -91.3403 -91.3403 -90.1479 -90.1479 -90.1401 -90.1401 -90.1256 -90.1256 -90.1256 -90.1256 1.9278 1.9304 2.5529 2.5534 2.8055 2.8081 5.4491 5.4517 5.6930 5.6944 7.6428 7.6517 7.7628 7.8100 8.0648 8.1245 8.1665 8.1698 8.7045 8.7376 10.7644 10.7734 12.7082 12.7251 13.4357 13.4403 k = 0.3421 0.1975 0.5587 ( 4261 PWs) bands (ev): -91.3403 -91.3403 -90.1482 -90.1482 -90.1398 -90.1398 -90.1256 -90.1256 -90.1256 -90.1256 1.8363 1.8385 2.5925 2.5936 2.8372 2.8387 5.4968 5.4996 5.7143 5.7160 7.6156 7.6230 7.7791 7.8301 8.0667 8.1362 8.1898 8.1979 8.6789 8.7119 10.8718 10.8802 12.6023 12.6200 13.3627 13.3670 k = 0.3355 0.1937 0.5479 ( 4269 PWs) bands (ev): -91.3403 -91.3403 -90.1486 -90.1486 -90.1395 -90.1395 -90.1256 -90.1256 -90.1256 -90.1256 1.7397 1.7415 2.6370 2.6385 2.8742 2.8749 5.5462 5.5493 5.7358 5.7379 7.5875 7.5932 7.7906 7.8440 8.0666 8.1404 8.2199 8.2289 8.6528 8.6856 10.9832 10.9909 12.4987 12.5173 13.2943 13.2984 k = 0.3289 0.1899 0.5372 ( 4269 PWs) bands (ev): -91.3403 -91.3403 -90.1489 -90.1489 -90.1391 -90.1391 -90.1256 -90.1256 -90.1256 -90.1256 1.6403 1.6419 2.6852 2.6870 2.9154 2.9155 5.5973 5.6006 5.7574 5.7599 7.5587 7.5626 7.7975 7.8521 8.0646 8.1398 8.2541 8.2623 8.6272 8.6595 11.0971 11.1044 12.3974 12.4168 13.2308 13.2346 k = 0.3224 0.1861 0.5264 ( 4269 PWs) bands (ev): -91.3403 -91.3403 -90.1492 -90.1492 -90.1388 -90.1388 -90.1256 -90.1256 -90.1256 -90.1256 1.5398 1.5411 2.7362 2.7383 2.9596 2.9604 5.6497 5.6534 5.7790 5.7819 7.5294 7.5314 7.8002 7.8549 8.0607 8.1352 8.2910 8.2980 8.6028 8.6344 11.2124 11.2191 12.2984 12.3187 13.1722 13.1757 k = 0.3158 0.1823 0.5157 ( 4265 PWs) bands (ev): -91.3403 -91.3403 -90.1495 -90.1495 -90.1385 -90.1385 -90.1256 -90.1256 -90.1256 -90.1256 1.4390 1.4401 2.7895 2.7919 3.0070 3.0084 5.7035 5.7075 5.8006 5.8039 7.4995 7.4997 7.7989 7.8525 8.0546 8.1267 8.3303 8.3359 8.5807 8.6113 11.3275 11.3338 12.2017 12.2229 13.1186 13.1219 k = 0.3092 0.1785 0.5049 ( 4265 PWs) bands (ev): -91.3403 -91.3403 -90.1499 -90.1499 -90.1381 -90.1381 -90.1256 -90.1256 -90.1256 -90.1256 1.3386 1.3396 2.8445 2.8472 3.0574 3.0594 5.7584 5.7627 5.8220 5.8259 7.4677 7.4694 7.7937 7.8451 8.0466 8.1145 8.3718 8.3757 8.5616 8.5910 11.4412 11.4470 12.1074 12.1295 13.0703 13.0734 k = 0.3026 0.1747 0.4942 ( 4257 PWs) bands (ev): -91.3403 -91.3403 -90.1502 -90.1502 -90.1378 -90.1378 -90.1256 -90.1256 -90.1256 -90.1256 1.2390 1.2398 2.9010 2.9039 3.1108 3.1132 5.8139 5.8187 5.8434 5.8477 7.4355 7.4390 7.7848 7.8329 8.0367 8.0989 8.4154 8.4171 8.5462 8.5745 11.5520 11.5574 12.0155 12.0385 13.0276 13.0303 k = 0.2961 0.1709 0.4835 ( 4261 PWs) bands (ev): -91.3403 -91.3403 -90.1506 -90.1506 -90.1374 -90.1374 -90.1256 -90.1256 -90.1256 -90.1256 1.1404 1.1411 2.9587 2.9619 3.1670 3.1699 5.8612 5.8673 5.8733 5.8773 7.4031 7.4086 7.7722 7.8160 8.0253 8.0803 8.4589 8.4610 8.5348 8.5632 11.6584 11.6635 11.9260 11.9499 12.9907 12.9931 k = 0.2895 0.1671 0.4727 ( 4251 PWs) bands (ev): -91.3403 -91.3403 -90.1510 -90.1510 -90.1370 -90.1370 -90.1256 -90.1256 -90.1256 -90.1256 1.0432 1.0438 3.0174 3.0208 3.2259 3.2292 5.8829 5.8892 5.9287 5.9336 7.3708 7.3782 7.7559 7.7946 8.0127 8.0594 8.4967 8.5074 8.5285 8.5619 11.7588 11.7636 11.8389 11.8637 12.9601 12.9623 k = 0.2829 0.1633 0.4620 ( 4251 PWs) bands (ev): -91.3403 -91.3403 -90.1513 -90.1513 -90.1367 -90.1367 -90.1256 -90.1256 -90.1256 -90.1256 0.9475 0.9480 3.0769 3.0805 3.2876 3.2912 5.9026 5.9095 5.9856 5.9909 7.3387 7.3480 7.7361 7.7692 7.9994 8.0373 8.5175 8.5216 8.5604 8.5834 11.7543 11.7799 11.8519 11.8564 12.9365 12.9383 k = 0.2763 0.1595 0.4512 ( 4257 PWs) bands (ev): -91.3403 -91.3403 -90.1517 -90.1517 -90.1363 -90.1363 -90.1256 -90.1256 -90.1256 -90.1256 0.8533 0.8538 3.1371 3.1408 3.3519 3.3558 5.9214 5.9292 6.0424 6.0481 7.3069 7.3182 7.7131 7.7403 7.9857 8.0147 8.5217 8.5228 8.6119 8.6261 11.6722 11.6986 11.9359 11.9401 12.9202 12.9217 k = 0.2697 0.1557 0.4405 ( 4255 PWs) bands (ev): -91.3403 -91.3403 -90.1521 -90.1521 -90.1359 -90.1359 -90.1256 -90.1256 -90.1256 -90.1256 0.7609 0.7613 3.1979 3.2017 3.4188 3.4230 5.9394 5.9481 6.0985 6.1045 7.2756 7.2888 7.6871 7.7087 7.9721 7.9925 8.5244 8.5256 8.6658 8.6766 11.5925 11.6199 12.0095 12.0136 12.9117 12.9129 k = 0.2632 0.1519 0.4297 ( 4259 PWs) bands (ev): -91.3403 -91.3403 -90.1525 -90.1525 -90.1355 -90.1355 -90.1256 -90.1256 -90.1256 -90.1256 0.6703 0.6706 3.2593 3.2632 3.4882 3.4924 5.9564 5.9660 6.1534 6.1597 7.2449 7.2602 7.6589 7.6752 7.9589 7.9714 8.5297 8.5298 8.7217 8.7309 11.5155 11.5437 12.0718 12.0757 12.9113 12.9120 k = 0.2566 0.1481 0.4190 ( 4255 PWs) bands (ev): -91.3403 -91.3403 -90.1528 -90.1528 -90.1352 -90.1352 -90.1256 -90.1256 -90.1256 -90.1256 0.5815 0.5818 3.3213 3.3251 3.5598 3.5641 5.9723 5.9829 6.2064 6.2130 7.2150 7.2323 7.6291 7.6407 7.9463 7.9520 8.5359 8.5373 8.7795 8.7878 11.4411 11.4702 12.1225 12.1262 12.9185 12.9188 k = 0.2500 0.1443 0.4082 ( 4259 PWs) bands (ev): -91.3403 -91.3403 -90.1532 -90.1532 -90.1348 -90.1348 -90.1256 -90.1256 -90.1256 -90.1256 0.4946 0.4948 3.3838 3.3876 3.6335 3.6379 5.9870 5.9987 6.2568 6.2637 7.1860 7.2054 7.5987 7.6063 7.9345 7.9348 8.5440 8.5471 8.8392 8.8468 11.3693 11.3994 12.1619 12.1655 12.9322 12.9323 k = 0.2434 0.1405 0.3975 ( 4251 PWs) bands (ev): -91.3403 -91.3403 -90.1536 -90.1536 -90.1344 -90.1344 -90.1256 -90.1256 -90.1256 -90.1256 0.4097 0.4099 3.4468 3.4506 3.7092 3.7136 6.0004 6.0132 6.3037 6.3108 7.1582 7.1797 7.5686 7.5729 7.9196 7.9249 8.5542 8.5586 8.9004 8.9077 11.3004 11.3314 12.1912 12.1947 12.9504 12.9510 k = 0.2368 0.1367 0.3868 ( 4245 PWs) bands (ev): -91.3403 -91.3403 -90.1540 -90.1540 -90.1340 -90.1340 -90.1256 -90.1256 -90.1256 -90.1256 0.3267 0.3269 3.5104 3.5141 3.7866 3.7911 6.0123 6.0262 6.3462 6.3536 7.1317 7.1553 7.5397 7.5413 7.9075 7.9169 8.5660 8.5718 8.9632 8.9703 11.2345 11.2663 12.2120 12.2155 12.9716 12.9725 k = 0.2303 0.1329 0.3760 ( 4249 PWs) bands (ev): -91.3403 -91.3403 -90.1543 -90.1543 -90.1337 -90.1337 -90.1256 -90.1256 -90.1256 -90.1256 0.2458 0.2460 3.5745 3.5782 3.8657 3.8701 6.0227 6.0377 6.3832 6.3908 7.1068 7.1324 7.5125 7.5129 7.8989 7.9115 8.5795 8.5865 9.0272 9.0344 11.1717 11.2044 12.2264 12.2298 12.9936 12.9949 k = 0.2237 0.1291 0.3653 ( 4253 PWs) bands (ev): -91.3403 -91.3403 -90.1547 -90.1547 -90.1333 -90.1333 -90.1256 -90.1256 -90.1256 -90.1256 0.1670 0.1671 3.6392 3.6428 3.9461 3.9505 6.0315 6.0476 6.4138 6.4216 7.0835 7.1110 7.4869 7.4887 7.8945 7.9095 8.5945 8.6026 9.0923 9.0995 11.1121 11.1459 12.2360 12.2394 13.0147 13.0162 k = 0.2171 0.1253 0.3545 ( 4247 PWs) bands (ev): -91.3403 -91.3403 -90.1551 -90.1551 -90.1329 -90.1329 -90.1256 -90.1256 -90.1256 -90.1256 0.0902 0.0904 3.7044 3.7079 4.0278 4.0321 6.0385 6.0556 6.4371 6.4450 7.0622 7.0915 7.4649 7.4674 7.8951 7.9118 8.6109 8.6200 9.1580 9.1655 11.0563 11.0910 12.2424 12.2457 13.0334 13.0352 k = 0.2105 0.1215 0.3438 ( 4251 PWs) bands (ev): -91.3403 -91.3403 -90.1555 -90.1555 -90.1325 -90.1325 -90.1256 -90.1256 -90.1256 -90.1256 0.0156 0.0157 3.7701 3.7735 4.1105 4.1147 6.0437 6.0618 6.4525 6.4605 7.0429 7.0738 7.4464 7.4489 7.9015 7.9191 8.6285 8.6386 9.2240 9.2318 11.0043 11.0400 12.2467 12.2500 13.0487 13.0506 k = 0.2039 0.1177 0.3330 ( 4263 PWs) bands (ev): -91.3403 -91.3403 -90.1558 -90.1558 -90.1322 -90.1322 -90.1256 -90.1256 -90.1256 -90.1256 -0.0569 -0.0568 3.8362 3.8396 4.1941 4.1982 6.0470 6.0660 6.4598 6.4678 7.0258 7.0580 7.4310 7.4329 7.9147 7.9326 8.6473 8.6583 9.2899 9.2981 10.9568 10.9935 12.2499 12.2532 13.0600 13.0620 k = 0.1974 0.1140 0.3223 ( 4267 PWs) bands (ev): -91.3403 -91.3403 -90.1562 -90.1562 -90.1318 -90.1318 -90.1256 -90.1256 -90.1256 -90.1256 -0.1273 -0.1272 3.9029 3.9061 4.2782 4.2823 6.0485 6.0683 6.4591 6.4672 7.0110 7.0443 7.4178 7.4185 7.9352 7.9528 8.6673 8.6790 9.3549 9.3636 10.9143 10.9520 12.2528 12.2561 13.0670 13.0690 k = 0.1908 0.1102 0.3116 ( 4259 PWs) bands (ev): -91.3403 -91.3403 -90.1565 -90.1565 -90.1314 -90.1314 -90.1256 -90.1256 -90.1256 -90.1256 -0.1954 -0.1954 3.9699 3.9731 4.3629 4.3668 6.0481 6.0685 6.4511 6.4592 6.9986 7.0327 7.4049 7.4060 7.9636 7.9804 8.6883 8.7009 9.4184 9.4275 10.8774 10.9161 12.2558 12.2592 13.0696 13.0716 k = 0.1842 0.1064 0.3008 ( 4263 PWs) bands (ev): -91.3403 -91.3403 -90.1569 -90.1569 -90.1311 -90.1311 -90.1256 -90.1256 -90.1256 -90.1256 -0.2614 -0.2614 4.0372 4.0404 4.4477 4.4516 6.0459 6.0668 6.4366 6.4447 6.9885 7.0231 7.3915 7.3947 7.9997 8.0154 8.7105 8.7238 9.4794 9.4891 10.8471 10.8867 12.2593 12.2627 13.0680 13.0698 k = 0.1776 0.1026 0.2901 ( 4263 PWs) bands (ev): -91.3403 -91.3403 -90.1572 -90.1572 -90.1308 -90.1308 -90.1256 -90.1256 -90.1256 -90.1256 -0.3252 -0.3252 4.1048 4.1080 4.5326 4.5363 6.0420 6.0631 6.4166 6.4248 6.9807 7.0156 7.3777 7.3831 8.0431 8.0577 8.7336 8.7477 9.5369 9.5470 10.8244 10.8648 12.2637 12.2672 13.0624 13.0639 k = 0.1711 0.0988 0.2793 ( 4255 PWs) bands (ev): -91.3403 -91.3403 -90.1576 -90.1576 -90.1304 -90.1304 -90.1256 -90.1256 -90.1256 -90.1256 -0.3868 -0.3867 4.1727 4.1758 4.6172 4.6208 6.0364 6.0577 6.3923 6.4005 6.9751 7.0100 7.3632 7.3708 8.0932 8.1066 8.7578 8.7727 9.5897 9.6001 10.8105 10.8515 12.2690 12.2726 13.0530 13.0541 k = 0.1645 0.0950 0.2686 ( 4247 PWs) bands (ev): -91.3403 -91.3403 -90.1579 -90.1579 -90.1301 -90.1301 -90.1256 -90.1256 -90.1256 -90.1256 -0.4461 -0.4461 4.2406 4.2437 4.7013 4.7049 6.0293 6.0506 6.3646 6.3729 6.9716 7.0063 7.3479 7.3576 8.1491 8.1615 8.7830 8.7987 9.6367 9.6471 10.8065 10.8478 12.2754 12.2792 13.0402 13.0410 k = 0.1579 0.0912 0.2578 ( 4269 PWs) bands (ev): -91.3403 -91.3403 -90.1582 -90.1582 -90.1298 -90.1298 -90.1256 -90.1256 -90.1256 -90.1256 -0.5032 -0.5032 4.3086 4.3117 4.7846 4.7881 6.0209 6.0419 6.3343 6.3427 6.9700 7.0044 7.3319 7.3436 8.2099 8.2214 8.8093 8.8257 9.6766 9.6868 10.8137 10.8549 12.2831 12.2870 13.0244 13.0247 k = 0.1513 0.0874 0.2471 ( 4265 PWs) bands (ev): -91.3403 -91.3403 -90.1585 -90.1585 -90.1295 -90.1295 -90.1256 -90.1256 -90.1256 -90.1256 -0.5581 -0.5580 4.3766 4.3797 4.8668 4.8703 6.0112 6.0319 6.3023 6.3109 6.9702 7.0040 7.3153 7.3287 8.2748 8.2856 8.8367 8.8539 9.7087 9.7182 10.8326 10.8734 12.2919 12.2961 13.0058 13.0060 k = 0.1447 0.0836 0.2364 ( 4269 PWs) bands (ev): -91.3403 -91.3403 -90.1588 -90.1588 -90.1292 -90.1292 -90.1256 -90.1256 -90.1256 -90.1256 -0.6107 -0.6106 4.4444 4.4475 4.9477 4.9511 6.0006 6.0208 6.2692 6.2780 6.9720 7.0051 7.2983 7.3132 8.3428 8.3532 8.8652 8.8831 9.7326 9.7411 10.8638 10.9035 12.3019 12.3063 12.9845 12.9854 k = 0.1382 0.0798 0.2256 ( 4267 PWs) bands (ev): -91.3403 -91.3403 -90.1591 -90.1591 -90.1289 -90.1289 -90.1256 -90.1256 -90.1256 -90.1256 -0.6610 -0.6609 4.5120 4.5150 5.0268 5.0303 5.9892 6.0087 6.2356 6.2445 6.9752 7.0075 7.2810 7.2973 8.4133 8.4235 8.8948 8.9136 9.7483 9.7555 10.9067 10.9452 12.3130 12.3177 12.9613 12.9628 k = 0.1316 0.0760 0.2149 ( 4275 PWs) bands (ev): -91.3403 -91.3403 -90.1594 -90.1594 -90.1286 -90.1286 -90.1256 -90.1256 -90.1256 -90.1256 -0.7090 -0.7090 4.5791 4.5822 5.1039 5.1074 5.9772 5.9960 6.2018 6.2110 6.9797 7.0110 7.2638 7.2811 8.4854 8.4957 8.9256 8.9452 9.7566 9.7623 10.9605 10.9975 12.3251 12.3301 12.9366 12.9387 k = 0.1250 0.0722 0.2041 ( 4269 PWs) bands (ev): -91.3403 -91.3403 -90.1597 -90.1597 -90.1283 -90.1283 -90.1256 -90.1256 -90.1256 -90.1256 -0.7547 -0.7547 4.6458 4.6490 5.1786 5.1822 5.9647 5.9827 6.1683 6.1777 6.9852 7.0154 7.2468 7.2650 8.5588 8.5692 8.9577 8.9781 9.7584 9.7625 11.0240 11.0594 12.3380 12.3433 12.9105 12.9133 k = 0.1184 0.0684 0.1934 ( 4271 PWs) bands (ev): -91.3403 -91.3403 -90.1600 -90.1600 -90.1280 -90.1280 -90.1256 -90.1256 -90.1256 -90.1256 -0.7981 -0.7981 4.7119 4.7151 5.2505 5.2542 5.9519 5.9690 6.1353 6.1451 6.9916 7.0206 7.2301 7.2490 8.6326 8.6436 8.9909 9.0123 9.7547 9.7574 11.0958 11.1296 12.3514 12.3571 12.8835 12.8869 k = 0.1118 0.0646 0.1826 ( 4281 PWs) bands (ev): -91.3403 -91.3403 -90.1602 -90.1602 -90.1278 -90.1278 -90.1256 -90.1256 -90.1256 -90.1256 -0.8393 -0.8393 4.7772 4.7804 5.3192 5.3231 5.9390 5.9552 6.1032 6.1133 6.9986 7.0264 7.2140 7.2333 8.7065 8.7181 9.0254 9.0477 9.7468 9.7482 11.1744 11.2066 12.3652 12.3712 12.8557 12.8598 k = 0.1053 0.0608 0.1719 ( 4269 PWs) bands (ev): -91.3403 -91.3403 -90.1604 -90.1604 -90.1275 -90.1275 -90.1256 -90.1256 -90.1256 -90.1256 -0.8781 -0.8781 4.8416 4.8448 5.3843 5.3885 5.9262 5.9414 6.0721 6.0825 7.0062 7.0327 7.1986 7.2181 8.7800 8.7925 9.0612 9.0843 9.7357 9.7359 11.2584 11.2892 12.3789 12.3854 12.8275 12.8323 k = 0.0987 0.0570 0.1612 ( 4269 PWs) bands (ev): -91.3403 -91.3403 -90.1607 -90.1607 -90.1273 -90.1273 -90.1256 -90.1256 -90.1256 -90.1256 -0.9146 -0.9146 4.9049 4.9081 5.4454 5.4500 5.9136 5.9278 6.0422 6.0531 7.0142 7.0393 7.1841 7.2036 8.8526 8.8661 9.0981 9.1221 9.7215 9.7223 11.3467 11.3762 12.3923 12.3992 12.7990 12.8044 k = 0.0921 0.0532 0.1504 ( 4263 PWs) bands (ev): -91.3403 -91.3403 -90.1609 -90.1609 -90.1271 -90.1271 -90.1256 -90.1256 -90.1256 -90.1256 -0.9487 -0.9487 4.9669 4.9701 5.5023 5.5073 5.9014 5.9144 6.0136 6.0250 7.0224 7.0460 7.1706 7.1899 8.9239 8.9385 9.1361 9.1610 9.7059 9.7074 11.4381 11.4664 12.4049 12.4122 12.7705 12.7765 k = 0.0855 0.0494 0.1397 ( 4263 PWs) bands (ev): -91.3403 -91.3403 -90.1611 -90.1611 -90.1269 -90.1269 -90.1256 -90.1256 -90.1256 -90.1256 -0.9806 -0.9806 5.0275 5.0307 5.5544 5.5599 5.8896 5.9015 5.9865 5.9984 7.0307 7.0528 7.1582 7.1771 8.9936 9.0094 9.1751 9.2007 9.6895 9.6917 11.5316 11.5587 12.4164 12.4240 12.7421 12.7487 k = 0.0789 0.0456 0.1289 ( 4259 PWs) bands (ev): -91.3403 -91.3403 -90.1613 -90.1613 -90.1267 -90.1267 -90.1256 -90.1256 -90.1256 -90.1256 -1.0101 -1.0101 5.0865 5.0896 5.6016 5.6077 5.8783 5.8890 5.9610 5.9735 7.0390 7.0595 7.1471 7.1654 9.0613 9.0782 9.2147 9.2410 9.6730 9.6756 11.6262 11.6522 12.4262 12.4341 12.7139 12.7210 k = 0.0724 0.0418 0.1182 ( 4265 PWs) bands (ev): -91.3403 -91.3403 -90.1615 -90.1615 -90.1265 -90.1265 -90.1256 -90.1256 -90.1256 -90.1256 -1.0372 -1.0372 5.1435 5.1465 5.6436 5.6503 5.8678 5.8771 5.9371 5.9503 7.0471 7.0660 7.1372 7.1547 9.1265 9.1445 9.2548 9.2814 9.6568 9.6597 11.7208 11.7459 12.4340 12.4421 12.6860 12.6936 k = 0.0658 0.0380 0.1074 ( 4261 PWs) bands (ev): -91.3403 -91.3403 -90.1616 -90.1616 -90.1264 -90.1264 -90.1256 -90.1256 -90.1256 -90.1256 -1.0620 -1.0620 5.1984 5.2013 5.6802 5.6875 5.8581 5.8659 5.9149 5.9289 7.0549 7.0722 7.1287 7.1451 9.1891 9.2079 9.2949 9.3215 9.6411 9.6442 11.8146 11.8386 12.4395 12.4476 12.6583 12.6665 k = 0.0592 0.0342 0.0967 ( 4263 PWs) bands (ev): -91.3403 -91.3403 -90.1618 -90.1618 -90.1262 -90.1262 -90.1256 -90.1256 -90.1256 -90.1256 -1.0845 -1.0845 5.2509 5.2536 5.7114 5.7193 5.8493 5.8554 5.8945 5.9094 7.0624 7.0781 7.1215 7.1367 9.2487 9.2678 9.3345 9.3607 9.6263 9.6294 11.9063 11.9292 12.4425 12.4504 12.6307 12.6393 k = 0.0526 0.0304 0.0859 ( 4267 PWs) bands (ev): -91.3403 -91.3403 -90.1619 -90.1619 -90.1261 -90.1261 -90.1256 -90.1256 -90.1256 -90.1256 -1.1046 -1.1046 5.3007 5.3031 5.7373 5.7454 5.8415 5.8457 5.8760 5.8918 7.0695 7.0834 7.1156 7.1294 9.3047 9.3239 9.3731 9.3984 9.6126 9.6156 11.9949 12.0165 12.4428 12.4505 12.6027 12.6119 k = 0.0461 0.0266 0.0752 ( 4275 PWs) bands (ev): -91.3403 -91.3403 -90.1620 -90.1620 -90.1260 -90.1260 -90.1256 -90.1256 -90.1256 -90.1256 -1.1223 -1.1223 5.3472 5.3493 5.7580 5.7660 5.8350 5.8367 5.8594 5.8762 7.0760 7.0883 7.1109 7.1232 9.3569 9.3756 9.4098 9.4336 9.6002 9.6031 12.0790 12.0991 12.4407 12.4479 12.5739 12.5837 k = 0.0395 0.0228 0.0645 ( 4281 PWs) bands (ev): -91.3403 -91.3403 -90.1621 -90.1621 -90.1259 -90.1259 -90.1256 -90.1256 -90.1256 -90.1256 -1.1377 -1.1377 5.3902 5.3919 5.7738 5.7811 5.8286 5.8298 5.8449 5.8625 7.0819 7.0925 7.1073 7.1181 9.4047 9.4221 9.4441 9.4658 9.5892 9.5918 12.1572 12.1756 12.4367 12.4433 12.5439 12.5540 k = 0.0329 0.0190 0.0537 ( 4281 PWs) bands (ev): -91.3403 -91.3403 -90.1622 -90.1622 -90.1258 -90.1258 -90.1256 -90.1256 -90.1256 -90.1256 -1.1507 -1.1507 5.4289 5.4302 5.7853 5.7908 5.8213 5.8253 5.8335 5.8508 7.0871 7.0960 7.1047 7.1138 9.4473 9.4630 9.4750 9.4941 9.5798 9.5821 12.2280 12.2442 12.4314 12.4371 12.5127 12.5228 k = 0.0263 0.0152 0.0430 ( 4281 PWs) bands (ev): -91.3404 -91.3404 -90.1623 -90.1623 -90.1257 -90.1257 -90.1256 -90.1256 -90.1256 -90.1256 -1.1614 -1.1614 5.4628 5.4636 5.7931 5.7960 5.8148 5.8182 5.8284 5.8412 7.0917 7.0988 7.1031 7.1104 9.4841 9.4974 9.5020 9.5179 9.5720 9.5739 12.2897 12.3033 12.4256 12.4304 12.4818 12.4911 k = 0.0197 0.0114 0.0322 ( 4279 PWs) bands (ev): -91.3404 -91.3404 -90.1623 -90.1623 -90.1257 -90.1257 -90.1256 -90.1256 -90.1256 -90.1256 -1.1697 -1.1697 5.4908 5.4912 5.7977 5.7980 5.8091 5.8103 5.8273 5.8338 7.0955 7.1008 7.1021 7.1076 9.5143 9.5242 9.5247 9.5365 9.5660 9.5675 12.3405 12.3510 12.4201 12.4240 12.4537 12.4615 k = 0.0132 0.0076 0.0215 ( 4279 PWs) bands (ev): -91.3404 -91.3404 -90.1624 -90.1624 -90.1257 -90.1257 -90.1256 -90.1256 -90.1256 -90.1256 -1.1756 -1.1756 5.5119 5.5121 5.7987 5.7998 5.8043 5.8045 5.8268 5.8289 7.0985 7.1018 7.1020 7.1054 9.5370 9.5412 9.5441 9.5494 9.5619 9.5629 12.3788 12.3855 12.4157 12.4187 12.4314 12.4372 k = 0.0066 0.0038 0.0107 ( 4279 PWs) bands (ev): -91.3404 -91.3404 -90.1624 -90.1624 -90.1256 -90.1256 -90.1256 -90.1256 -90.1256 -90.1256 -1.1791 -1.1791 5.5251 5.5252 5.7991 5.8001 5.8007 5.8012 5.8262 5.8265 7.1007 7.1019 7.1025 7.1037 9.5515 9.5522 9.5545 9.5559 9.5603 9.5608 12.4027 12.4045 12.4127 12.4158 12.4184 12.4214 k = 0.0000 0.0000 0.0000 ( 4279 PWs) bands (ev): -91.3404 -91.3404 -90.1624 -90.1624 -90.1256 -90.1256 -90.1256 -90.1256 -90.1256 -90.1256 -1.1803 -1.1803 5.5296 5.5296 5.7997 5.7997 5.7997 5.7997 5.8259 5.8259 7.1023 7.1023 7.1023 7.1023 9.5566 9.5566 9.5566 9.5566 9.5610 9.5610 12.4075 12.4075 12.4157 12.4157 12.4157 12.4157 k = 0.0000 0.0000 0.0000 ( 4279 PWs) bands (ev): -91.3404 -91.3404 -90.1624 -90.1624 -90.1256 -90.1256 -90.1256 -90.1256 -90.1256 -90.1256 -1.1803 -1.1803 5.5296 5.5296 5.7997 5.7997 5.7997 5.7997 5.8259 5.8259 7.1023 7.1023 7.1023 7.1023 9.5566 9.5566 9.5566 9.5566 9.5610 9.5610 12.4075 12.4075 12.4157 12.4157 12.4157 12.4157 k = 0.0106 0.0061 0.0043 ( 4279 PWs) bands (ev): -91.3404 -91.3404 -90.1624 -90.1624 -90.1256 -90.1256 -90.1256 -90.1256 -90.1256 -90.1256 -1.1792 -1.1792 5.5252 5.5252 5.7992 5.8006 5.8006 5.8007 5.8263 5.8263 7.1008 7.1022 7.1022 7.1037 9.5513 9.5513 9.5557 9.5566 9.5603 9.5603 12.4058 12.4058 12.4093 12.4157 12.4194 12.4194 k = 0.0213 0.0123 0.0087 ( 4279 PWs) bands (ev): -91.3404 -91.3404 -90.1624 -90.1624 -90.1256 -90.1256 -90.1256 -90.1256 -90.1256 -90.1256 -1.1757 -1.1757 5.5122 5.5122 5.7992 5.8022 5.8031 5.8031 5.8277 5.8277 7.0990 7.1019 7.1019 7.1049 9.5349 9.5349 9.5541 9.5558 9.5589 9.5589 12.3965 12.3970 12.3970 12.4092 12.4336 12.4336 k = 0.0319 0.0184 0.0130 ( 4279 PWs) bands (ev): -91.3404 -91.3404 -90.1623 -90.1623 -90.1257 -90.1257 -90.1256 -90.1256 -90.1256 -90.1256 -1.1699 -1.1699 5.4911 5.4911 5.7998 5.8042 5.8067 5.8067 5.8299 5.8299 7.0972 7.1013 7.1013 7.1060 9.5084 9.5084 9.5516 9.5542 9.5566 9.5566 12.3778 12.3814 12.3814 12.3963 12.4554 12.4554 k = 0.0426 0.0246 0.0174 ( 4282 PWs) bands (ev): -91.3404 -91.3404 -90.1623 -90.1623 -90.1257 -90.1257 -90.1256 -90.1256 -90.1256 -90.1256 -1.1617 -1.1617 5.4627 5.4627 5.8008 5.8066 5.8109 5.8109 5.8328 5.8328 7.0952 7.1006 7.1006 7.1069 9.4728 9.4728 9.5482 9.5517 9.5534 9.5534 12.3536 12.3601 12.3601 12.3774 12.4807 12.4807 k = 0.0532 0.0307 0.0217 ( 4282 PWs) bands (ev): -91.3404 -91.3404 -90.1622 -90.1622 -90.1258 -90.1258 -90.1256 -90.1256 -90.1256 -90.1256 -1.1513 -1.1513 5.4275 5.4275 5.8023 5.8096 5.8152 5.8152 5.8363 5.8363 7.0932 7.0998 7.0998 7.1077 9.4295 9.4295 9.5439 9.5482 9.5492 9.5492 12.3246 12.3336 12.3336 12.3530 12.5054 12.5054 k = 0.0638 0.0369 0.0261 ( 4282 PWs) bands (ev): -91.3403 -91.3403 -90.1621 -90.1621 -90.1259 -90.1259 -90.1256 -90.1256 -90.1256 -90.1256 -1.1385 -1.1385 5.3862 5.3862 5.8043 5.8130 5.8195 5.8195 5.8400 5.8400 7.0911 7.0988 7.0988 7.1084 9.3800 9.3800 9.5384 9.5436 9.5438 9.5438 12.2914 12.3028 12.3028 12.3238 12.5269 12.5269 k = 0.0745 0.0430 0.0304 ( 4273 PWs) bands (ev): -91.3403 -91.3403 -90.1620 -90.1620 -90.1260 -90.1260 -90.1256 -90.1256 -90.1256 -90.1256 -1.1234 -1.1234 5.3389 5.3389 5.8068 5.8169 5.8239 5.8239 5.8437 5.8437 7.0890 7.0977 7.0977 7.1091 9.3258 9.3258 9.5319 9.5373 9.5373 9.5379 12.2547 12.2682 12.2682 12.2903 12.5442 12.5442 k = 0.0851 0.0491 0.0347 ( 4267 PWs) bands (ev): -91.3403 -91.3403 -90.1619 -90.1619 -90.1261 -90.1261 -90.1256 -90.1256 -90.1256 -90.1256 -1.1060 -1.1060 5.2861 5.2861 5.8096 5.8212 5.8282 5.8283 5.8471 5.8471 7.0869 7.0967 7.0967 7.1098 9.2682 9.2682 9.5240 9.5293 9.5293 9.5309 12.2152 12.2306 12.2306 12.2534 12.5578 12.5578 k = 0.0957 0.0553 0.0391 ( 4267 PWs) bands (ev): -91.3403 -91.3403 -90.1618 -90.1618 -90.1262 -90.1262 -90.1256 -90.1256 -90.1256 -90.1256 -1.0863 -1.0863 5.2280 5.2280 5.8130 5.8258 5.8327 5.8327 5.8501 5.8501 7.0850 7.0956 7.0956 7.1106 9.2084 9.2084 9.5147 9.5199 9.5199 9.5225 12.1737 12.1909 12.1909 12.2138 12.5684 12.5684 k = 0.1064 0.0614 0.0434 ( 4264 PWs) bands (ev): -91.3403 -91.3403 -90.1616 -90.1616 -90.1264 -90.1264 -90.1256 -90.1256 -90.1256 -90.1256 -1.0643 -1.0643 5.1647 5.1647 5.8167 5.8309 5.8371 5.8371 5.8527 5.8527 7.0832 7.0947 7.0947 7.1114 9.1475 9.1475 9.5039 9.5088 9.5088 9.5126 12.1307 12.1497 12.1497 12.1723 12.5771 12.5771 k = 0.1170 0.0676 0.0478 ( 4270 PWs) bands (ev): -91.3403 -91.3403 -90.1615 -90.1615 -90.1265 -90.1265 -90.1256 -90.1256 -90.1256 -90.1256 -1.0400 -1.0400 5.0964 5.0964 5.8208 5.8363 5.8412 5.8412 5.8553 5.8553 7.0817 7.0939 7.0939 7.1125 9.0863 9.0863 9.4914 9.4960 9.4960 9.5010 12.0869 12.1076 12.1076 12.1294 12.5844 12.5844 k = 0.1277 0.0737 0.0521 ( 4276 PWs) bands (ev): -91.3403 -91.3403 -90.1613 -90.1613 -90.1267 -90.1267 -90.1256 -90.1256 -90.1256 -90.1256 -1.0134 -1.0134 5.0234 5.0234 5.8252 5.8420 5.8446 5.8446 5.8581 5.8581 7.0805 7.0934 7.0934 7.1138 9.0257 9.0257 9.4770 9.4812 9.4812 9.4875 12.0430 12.0654 12.0654 12.0860 12.5910 12.5910 k = 0.1383 0.0798 0.0565 ( 4282 PWs) bands (ev): -91.3403 -91.3403 -90.1611 -90.1611 -90.1269 -90.1269 -90.1256 -90.1256 -90.1256 -90.1256 -0.9844 -0.9844 4.9458 4.9458 5.8299 5.8466 5.8466 5.8479 5.8619 5.8619 7.0797 7.0932 7.0932 7.1154 8.9661 8.9661 9.4607 9.4644 9.4644 9.4722 11.9993 12.0234 12.0234 12.0425 12.5973 12.5973 k = 0.1489 0.0860 0.0608 ( 4276 PWs) bands (ev): -91.3403 -91.3403 -90.1609 -90.1609 -90.1271 -90.1271 -90.1256 -90.1256 -90.1256 -90.1256 -0.9532 -0.9532 4.8638 4.8638 5.8349 5.8472 5.8472 5.8541 5.8667 5.8667 7.0794 7.0935 7.0935 7.1174 8.9080 8.9080 9.4423 9.4455 9.4455 9.4548 11.9565 11.9823 11.9823 11.9995 12.6035 12.6035 k = 0.1596 0.0921 0.0651 ( 4276 PWs) bands (ev): -91.3403 -91.3403 -90.1607 -90.1607 -90.1273 -90.1273 -90.1256 -90.1256 -90.1256 -90.1256 -0.9197 -0.9197 4.7778 4.7778 5.8402 5.8466 5.8466 5.8605 5.8722 5.8722 7.0797 7.0942 7.0942 7.1199 8.8518 8.8518 9.4218 9.4242 9.4242 9.4352 11.9149 11.9425 11.9425 11.9575 12.6098 12.6098 k = 0.1702 0.0983 0.0695 ( 4273 PWs) bands (ev): -91.3403 -91.3403 -90.1605 -90.1605 -90.1275 -90.1275 -90.1256 -90.1256 -90.1256 -90.1256 -0.8840 -0.8840 4.6879 4.6879 5.8451 5.8451 5.8456 5.8670 5.8782 5.8782 7.0806 7.0955 7.0955 7.1229 8.7978 8.7978 9.3989 9.4007 9.4007 9.4133 11.8748 11.9042 11.9042 11.9167 12.6164 12.6164 k = 0.1809 0.1044 0.0738 ( 4273 PWs) bands (ev): -91.3403 -91.3403 -90.1603 -90.1603 -90.1277 -90.1277 -90.1256 -90.1256 -90.1256 -90.1256 -0.8459 -0.8459 4.5943 4.5943 5.8429 5.8429 5.8513 5.8736 5.8846 5.8846 7.0822 7.0974 7.0974 7.1266 8.7460 8.7460 9.3737 9.3747 9.3747 9.3891 11.8366 11.8678 11.8678 11.8777 12.6235 12.6235 k = 0.1915 0.1106 0.0782 ( 4273 PWs) bands (ev): -91.3403 -91.3403 -90.1600 -90.1600 -90.1280 -90.1280 -90.1256 -90.1256 -90.1256 -90.1256 -0.8056 -0.8056 4.4975 4.4975 5.8401 5.8401 5.8570 5.8802 5.8911 5.8911 7.0847 7.1001 7.1001 7.1310 8.6966 8.6966 9.3462 9.3463 9.3463 9.3626 11.8004 11.8334 11.8334 11.8405 12.6311 12.6311 k = 0.2021 0.1167 0.0825 ( 4273 PWs) bands (ev): -91.3403 -91.3403 -90.1598 -90.1598 -90.1282 -90.1282 -90.1256 -90.1256 -90.1256 -90.1256 -0.7630 -0.7630 4.3976 4.3976 5.8369 5.8369 5.8629 5.8869 5.8978 5.8978 7.0880 7.1037 7.1037 7.1361 8.6498 8.6498 9.3155 9.3155 9.3162 9.3337 11.7665 11.8013 11.8013 11.8054 12.6393 12.6393 k = 0.2128 0.1228 0.0869 ( 4261 PWs) bands (ev): -91.3403 -91.3403 -90.1595 -90.1595 -90.1285 -90.1285 -90.1256 -90.1256 -90.1256 -90.1256 -0.7182 -0.7182 4.2950 4.2950 5.8332 5.8332 5.8688 5.8934 5.9045 5.9045 7.0924 7.1081 7.1081 7.1421 8.6053 8.6053 9.2823 9.2823 9.2839 9.3025 11.7349 11.7716 11.7716 11.7726 12.6481 12.6481 k = 0.2234 0.1290 0.0912 ( 4260 PWs) bands (ev): -91.3403 -91.3403 -90.1592 -90.1592 -90.1288 -90.1288 -90.1256 -90.1256 -90.1256 -90.1256 -0.6711 -0.6711 4.1899 4.1899 5.8291 5.8291 5.8747 5.8999 5.9112 5.9112 7.0978 7.1135 7.1135 7.1490 8.5634 8.5634 9.2469 9.2469 9.2494 9.2690 11.7057 11.7420 11.7442 11.7442 12.6575 12.6575 k = 0.2340 0.1351 0.0955 ( 4260 PWs) bands (ev): -91.3403 -91.3403 -90.1590 -90.1590 -90.1290 -90.1290 -90.1256 -90.1256 -90.1256 -90.1256 -0.6218 -0.6218 4.0826 4.0826 5.8248 5.8248 5.8806 5.9063 5.9178 5.9178 7.1044 7.1200 7.1200 7.1569 8.5238 8.5238 9.2092 9.2092 9.2126 9.2332 11.6789 11.7138 11.7193 11.7193 12.6676 12.6676 k = 0.2447 0.1413 0.0999 ( 4263 PWs) bands (ev): -91.3403 -91.3403 -90.1587 -90.1587 -90.1293 -90.1293 -90.1256 -90.1256 -90.1256 -90.1256 -0.5702 -0.5702 3.9734 3.9734 5.8201 5.8201 5.8865 5.9125 5.9243 5.9243 7.1121 7.1277 7.1277 7.1658 8.4867 8.4867 9.1694 9.1694 9.1737 9.1954 11.6545 11.6879 11.6966 11.6966 12.6783 12.6783 k = 0.2553 0.1474 0.1042 ( 4260 PWs) bands (ev): -91.3403 -91.3403 -90.1584 -90.1584 -90.1296 -90.1296 -90.1256 -90.1256 -90.1256 -90.1256 -0.5165 -0.5165 3.8625 3.8625 5.8152 5.8152 5.8922 5.9184 5.9307 5.9307 7.1212 7.1365 7.1365 7.1758 8.4518 8.4518 9.1277 9.1277 9.1329 9.1556 11.6324 11.6644 11.6763 11.6763 12.6896 12.6896 k = 0.2660 0.1536 0.1086 ( 4263 PWs) bands (ev): -91.3403 -91.3403 -90.1581 -90.1581 -90.1299 -90.1299 -90.1256 -90.1256 -90.1256 -90.1256 -0.4605 -0.4605 3.7503 3.7503 5.8102 5.8102 5.8978 5.9241 5.9369 5.9369 7.1315 7.1466 7.1466 7.1870 8.4190 8.4190 9.0843 9.0843 9.0903 9.1141 11.6126 11.6430 11.6581 11.6581 12.7015 12.7015 k = 0.2766 0.1597 0.1129 ( 4251 PWs) bands (ev): -91.3403 -91.3403 -90.1578 -90.1578 -90.1302 -90.1302 -90.1256 -90.1256 -90.1256 -90.1256 -0.4024 -0.4024 3.6369 3.6369 5.8050 5.8050 5.9033 5.9296 5.9428 5.9428 7.1432 7.1580 7.1580 7.1993 8.3885 8.3885 9.0392 9.0392 9.0461 9.0709 11.5948 11.6237 11.6420 11.6420 12.7138 12.7138 k = 0.2872 0.1658 0.1173 ( 4251 PWs) bands (ev): -91.3403 -91.3403 -90.1575 -90.1575 -90.1305 -90.1305 -90.1256 -90.1256 -90.1256 -90.1256 -0.3421 -0.3421 3.5225 3.5225 5.7997 5.7997 5.9086 5.9346 5.9485 5.9485 7.1563 7.1707 7.1707 7.2129 8.3599 8.3599 8.9929 8.9929 9.0006 9.0263 11.5791 11.6065 11.6278 11.6278 12.7266 12.7266 k = 0.2979 0.1720 0.1216 ( 4251 PWs) bands (ev): -91.3403 -91.3403 -90.1572 -90.1572 -90.1308 -90.1308 -90.1256 -90.1256 -90.1256 -90.1256 -0.2796 -0.2796 3.4075 3.4075 5.7943 5.7943 5.9137 5.9394 5.9540 5.9540 7.1708 7.1848 7.1848 7.2276 8.3333 8.3333 8.9454 8.9454 8.9539 8.9804 11.5652 11.5911 11.6153 11.6153 12.7398 12.7398 k = 0.3085 0.1781 0.1259 ( 4257 PWs) bands (ev): -91.3403 -91.3403 -90.1569 -90.1569 -90.1311 -90.1311 -90.1256 -90.1256 -90.1256 -90.1256 -0.2149 -0.2149 3.2920 3.2920 5.7890 5.7890 5.9185 5.9438 5.9591 5.9591 7.1867 7.2002 7.2002 7.2436 8.3085 8.3085 8.8969 8.8969 8.9062 8.9336 11.5531 11.5774 11.6045 11.6045 12.7532 12.7532 k = 0.3191 0.1843 0.1303 ( 4260 PWs) bands (ev): -91.3403 -91.3403 -90.1566 -90.1566 -90.1314 -90.1314 -90.1256 -90.1256 -90.1256 -90.1256 -0.1482 -0.1482 3.1761 3.1761 5.7836 5.7836 5.9232 5.9478 5.9639 5.9639 7.2040 7.2169 7.2169 7.2608 8.2855 8.2855 8.8478 8.8478 8.8578 8.8859 11.5425 11.5653 11.5952 11.5952 12.7668 12.7668 k = 0.3298 0.1904 0.1346 ( 4260 PWs) bands (ev): -91.3403 -91.3403 -90.1563 -90.1563 -90.1317 -90.1317 -90.1256 -90.1256 -90.1256 -90.1256 -0.0793 -0.0793 3.0602 3.0602 5.7784 5.7784 5.9276 5.9515 5.9683 5.9683 7.2226 7.2350 7.2350 7.2791 8.2642 8.2642 8.7982 8.7982 8.8089 8.8378 11.5334 11.5546 11.5871 11.5871 12.7804 12.7804 k = 0.3404 0.1965 0.1390 ( 4260 PWs) bands (ev): -91.3403 -91.3403 -90.1560 -90.1560 -90.1320 -90.1320 -90.1256 -90.1256 -90.1256 -90.1256 -0.0083 -0.0083 2.9443 2.9443 5.7732 5.7732 5.9317 5.9547 5.9725 5.9725 7.2426 7.2544 7.2544 7.2985 8.2445 8.2445 8.7485 8.7485 8.7598 8.7893 11.5255 11.5453 11.5803 11.5803 12.7941 12.7941 k = 0.3511 0.2027 0.1433 ( 4260 PWs) bands (ev): -91.3403 -91.3403 -90.1557 -90.1557 -90.1323 -90.1323 -90.1256 -90.1256 -90.1256 -90.1256 0.0648 0.0648 2.8287 2.8287 5.7682 5.7682 5.9356 5.9576 5.9762 5.9762 7.2638 7.2749 7.2749 7.3189 8.2264 8.2264 8.6987 8.6987 8.7107 8.7407 11.5188 11.5371 11.5745 11.5745 12.8075 12.8075 k = 0.3617 0.2088 0.1477 ( 4257 PWs) bands (ev): -91.3403 -91.3403 -90.1554 -90.1554 -90.1326 -90.1326 -90.1256 -90.1256 -90.1256 -90.1256 0.1399 0.1399 2.7134 2.7134 5.7634 5.7634 5.9393 5.9602 5.9797 5.9797 7.2862 7.2966 7.2966 7.3403 8.2097 8.2097 8.6493 8.6493 8.6620 8.6923 11.5131 11.5300 11.5696 11.5696 12.8207 12.8207 k = 0.3723 0.2150 0.1520 ( 4251 PWs) bands (ev): -91.3403 -91.3403 -90.1551 -90.1551 -90.1329 -90.1329 -90.1256 -90.1256 -90.1256 -90.1256 0.2170 0.2170 2.5986 2.5986 5.7588 5.7588 5.9427 5.9623 5.9828 5.9828 7.3096 7.3193 7.3193 7.3624 8.1945 8.1945 8.6004 8.6004 8.6138 8.6444 11.5083 11.5238 11.5655 11.5655 12.8336 12.8336 k = 0.3830 0.2211 0.1564 ( 4242 PWs) bands (ev): -91.3403 -91.3403 -90.1548 -90.1548 -90.1332 -90.1332 -90.1256 -90.1256 -90.1256 -90.1256 0.2962 0.2962 2.4844 2.4844 5.7544 5.7544 5.9458 5.9642 5.9856 5.9856 7.3338 7.3428 7.3428 7.3852 8.1805 8.1805 8.5525 8.5525 8.5666 8.5972 11.5043 11.5184 11.5621 11.5621 12.8459 12.8459 k = 0.3936 0.2273 0.1607 ( 4248 PWs) bands (ev): -91.3403 -91.3403 -90.1546 -90.1546 -90.1334 -90.1334 -90.1256 -90.1256 -90.1256 -90.1256 0.3773 0.3773 2.3711 2.3711 5.7503 5.7503 5.9487 5.9657 5.9881 5.9881 7.3588 7.3670 7.3670 7.4083 8.1678 8.1678 8.5057 8.5057 8.5206 8.5511 11.5010 11.5138 11.5594 11.5594 12.8576 12.8576 k = 0.4043 0.2334 0.1650 ( 4248 PWs) bands (ev): -91.3403 -91.3403 -90.1543 -90.1543 -90.1337 -90.1337 -90.1256 -90.1256 -90.1256 -90.1256 0.4604 0.4604 2.2586 2.2586 5.7465 5.7465 5.9514 5.9669 5.9903 5.9903 7.3842 7.3915 7.3915 7.4315 8.1564 8.1564 8.4606 8.4606 8.4764 8.5063 11.4984 11.5097 11.5571 11.5571 12.8685 12.8685 k = 0.4149 0.2395 0.1694 ( 4248 PWs) bands (ev): -91.3403 -91.3403 -90.1541 -90.1541 -90.1339 -90.1339 -90.1256 -90.1256 -90.1256 -90.1256 0.5454 0.5454 2.1471 2.1471 5.7430 5.7430 5.9539 5.9678 5.9922 5.9922 7.4098 7.4161 7.4161 7.4545 8.1461 8.1461 8.4176 8.4176 8.4342 8.4633 11.4962 11.5063 11.5552 11.5552 12.8787 12.8787 k = 0.4255 0.2457 0.1737 ( 4257 PWs) bands (ev): -91.3403 -91.3403 -90.1539 -90.1539 -90.1341 -90.1341 -90.1256 -90.1256 -90.1256 -90.1256 0.6322 0.6322 2.0367 2.0367 5.7399 5.7399 5.9562 5.9685 5.9939 5.9939 7.4352 7.4404 7.4404 7.4767 8.1368 8.1368 8.3771 8.3771 8.3947 8.4225 11.4946 11.5034 11.5537 11.5537 12.8879 12.8879 k = 0.4362 0.2518 0.1781 ( 4257 PWs) bands (ev): -91.3403 -91.3403 -90.1537 -90.1537 -90.1343 -90.1343 -90.1256 -90.1256 -90.1256 -90.1256 0.7208 0.7208 1.9276 1.9276 5.7371 5.7371 5.9582 5.9689 5.9952 5.9952 7.4599 7.4638 7.4638 7.4977 8.1286 8.1286 8.3397 8.3397 8.3585 8.3844 11.4934 11.5008 11.5526 11.5526 12.8961 12.8961 k = 0.4468 0.2580 0.1824 ( 4257 PWs) bands (ev): -91.3403 -91.3403 -90.1536 -90.1536 -90.1344 -90.1344 -90.1256 -90.1256 -90.1256 -90.1256 0.8111 0.8111 1.8199 1.8199 5.7348 5.7348 5.9601 5.9691 5.9964 5.9964 7.4833 7.4857 7.4857 7.5168 8.1213 8.1213 8.3063 8.3063 8.3262 8.3497 11.4925 11.4987 11.5517 11.5517 12.9031 12.9031 k = 0.4574 0.2641 0.1868 ( 4269 PWs) bands (ev): -91.3403 -91.3403 -90.1535 -90.1535 -90.1346 -90.1346 -90.1256 -90.1256 -90.1256 -90.1256 0.9029 0.9029 1.7137 1.7137 5.7328 5.7328 5.9618 5.9690 5.9973 5.9973 7.5050 7.5055 7.5055 7.5332 8.1150 8.1150 8.2774 8.2774 8.2988 8.3190 11.4919 11.4969 11.5510 11.5510 12.9090 12.9090 k = 0.4681 0.2702 0.1911 ( 4275 PWs) bands (ev): -91.3403 -91.3403 -90.1534 -90.1534 -90.1347 -90.1347 -90.1256 -90.1256 -90.1256 -90.1256 0.9960 0.9960 1.6095 1.6095 5.7313 5.7313 5.9633 5.9687 5.9980 5.9980 7.5222 7.5222 7.5240 7.5462 8.1096 8.1096 8.2541 8.2541 8.2770 8.2932 11.4917 11.4954 11.5505 11.5505 12.9136 12.9136 k = 0.4787 0.2764 0.1954 ( 4275 PWs) bands (ev): -91.3403 -91.3403 -90.1533 -90.1533 -90.1347 -90.1347 -90.1256 -90.1256 -90.1256 -90.1256 1.0894 1.0894 1.5080 1.5080 5.7302 5.7302 5.9647 5.9683 5.9985 5.9985 7.5350 7.5350 7.5396 7.5549 8.1054 8.1054 8.2369 8.2369 8.2616 8.2729 11.4917 11.4942 11.5501 11.5501 12.9170 12.9170 k = 0.4894 0.2825 0.1998 ( 4275 PWs) bands (ev): -91.3403 -91.3403 -90.1532 -90.1532 -90.1348 -90.1348 -90.1256 -90.1256 -90.1256 -90.1256 1.1797 1.1797 1.4129 1.4129 5.7295 5.7295 5.9658 5.9676 5.9988 5.9988 7.5430 7.5430 7.5509 7.5588 8.1027 8.1027 8.2264 8.2264 8.2533 8.2592 11.4919 11.4932 11.5499 11.5499 12.9190 12.9190 k = 0.5000 0.2887 0.2041 ( 4236 PWs) bands (ev): -91.3403 -91.3403 -90.1532 -90.1532 -90.1348 -90.1348 -90.1256 -90.1256 -90.1256 -90.1256 1.2361 1.2361 1.3549 1.3549 5.7293 5.7293 5.9668 5.9668 5.9989 5.9989 7.5458 7.5458 7.5575 7.5575 8.1017 8.1017 8.2229 8.2229 8.2525 8.2525 11.4925 11.4925 11.5499 11.5499 12.9197 12.9197 k = 0.5000 0.2887 0.2041 ( 4236 PWs) bands (ev): -91.3403 -91.3403 -90.1532 -90.1532 -90.1348 -90.1348 -90.1256 -90.1256 -90.1256 -90.1256 1.2361 1.2361 1.3549 1.3549 5.7293 5.7293 5.9668 5.9668 5.9989 5.9989 7.5458 7.5458 7.5575 7.5575 8.1017 8.1017 8.2229 8.2229 8.2525 8.2525 11.4925 11.4925 11.5499 11.5499 12.9197 12.9197 k = 0.5038 0.2777 0.2103 ( 4271 PWs) bands (ev): -91.3403 -91.3403 -90.1532 -90.1532 -90.1348 -90.1348 -90.1256 -90.1256 -90.1256 -90.1256 1.2370 1.2373 1.3560 1.3562 5.7101 5.7114 5.9723 5.9726 6.0054 6.0077 7.5438 7.5467 7.5568 7.5569 8.0834 8.1145 8.2094 8.2340 8.2557 8.2590 11.4946 11.4947 11.5519 11.5521 12.9223 12.9224 k = 0.5076 0.2668 0.2165 ( 4273 PWs) bands (ev): -91.3403 -91.3403 -90.1532 -90.1532 -90.1348 -90.1348 -90.1256 -90.1256 -90.1256 -90.1256 1.2400 1.2405 1.3594 1.3599 5.6630 5.6648 5.9764 5.9770 6.0311 6.0351 7.5403 7.5461 7.5553 7.5558 8.0635 8.1165 8.2037 8.2356 8.2633 8.2782 11.5011 11.5012 11.5581 11.5585 12.9301 12.9304 k = 0.5114 0.2559 0.2227 ( 4273 PWs) bands (ev): -91.3403 -91.3403 -90.1531 -90.1531 -90.1349 -90.1349 -90.1256 -90.1256 -90.1256 -90.1256 1.2450 1.2458 1.3652 1.3659 5.6004 5.6024 5.9756 5.9760 6.0670 6.0717 7.5353 7.5432 7.5543 7.5548 8.0443 8.1076 8.2062 8.2344 8.2747 8.3013 11.5116 11.5118 11.5681 11.5687 12.9432 12.9436 k = 0.5152 0.2449 0.2289 ( 4271 PWs) bands (ev): -91.3403 -91.3403 -90.1531 -90.1531 -90.1349 -90.1349 -90.1256 -90.1256 -90.1256 -90.1256 1.2521 1.2532 1.3734 1.3744 5.5290 5.5310 5.9724 5.9726 6.1029 6.1081 7.5295 7.5382 7.5545 7.5545 8.0271 8.0936 8.2115 8.2328 8.2898 8.3246 11.5257 11.5261 11.5816 11.5823 12.9615 12.9620 k = 0.5189 0.2340 0.2351 ( 4269 PWs) bands (ev): -91.3403 -91.3403 -90.1530 -90.1530 -90.1350 -90.1350 -90.1256 -90.1256 -90.1256 -90.1256 1.2612 1.2625 1.3839 1.3852 5.4517 5.4536 5.9677 5.9677 6.1340 6.1396 7.5241 7.5329 7.5547 7.5554 8.0126 8.0788 8.2163 8.2312 8.3073 8.3469 11.5429 11.5433 11.5977 11.5989 12.9849 12.9856 k = 0.5227 0.2231 0.2412 ( 4265 PWs) bands (ev): -91.3403 -91.3403 -90.1529 -90.1529 -90.1351 -90.1351 -90.1256 -90.1256 -90.1256 -90.1256 1.2723 1.2739 1.3970 1.3984 5.3701 5.3719 5.9616 5.9617 6.1580 6.1640 7.5205 7.5289 7.5555 7.5567 8.0011 8.0651 8.2197 8.2295 8.3256 8.3675 11.5624 11.5625 11.6159 11.6180 13.0132 13.0139 k = 0.5265 0.2121 0.2474 ( 4263 PWs) bands (ev): -91.3403 -91.3403 -90.1528 -90.1528 -90.1352 -90.1352 -90.1256 -90.1256 -90.1256 -90.1256 1.2854 1.2872 1.4124 1.4141 5.2849 5.2865 5.9543 5.9546 6.1735 6.1798 7.5198 7.5277 7.5570 7.5583 7.9928 8.0533 8.2221 8.2278 8.3437 8.3861 11.5821 11.5829 11.6359 11.6396 13.0457 13.0463 k = 0.5303 0.2012 0.2536 ( 4259 PWs) bands (ev): -91.3403 -91.3403 -90.1527 -90.1527 -90.1353 -90.1353 -90.1256 -90.1256 -90.1256 -90.1256 1.3005 1.3024 1.4303 1.4322 5.1966 5.1981 5.9460 5.9464 6.1796 6.1861 7.5231 7.5304 7.5593 7.5603 7.9875 8.0438 8.2236 8.2260 8.3608 8.4026 11.5996 11.6019 11.6587 11.6645 13.0813 13.0819 k = 0.5341 0.1903 0.2598 ( 4266 PWs) bands (ev): -91.3403 -91.3403 -90.1526 -90.1526 -90.1354 -90.1354 -90.1256 -90.1256 -90.1256 -90.1256 1.3174 1.3196 1.4507 1.4528 5.1056 5.1069 5.9368 5.9372 6.1762 6.1828 7.5301 7.5376 7.5627 7.5631 7.9851 8.0367 8.2240 8.2243 8.3766 8.4170 11.6125 11.6163 11.6857 11.6938 13.1187 13.1190 k = 0.5379 0.1793 0.2660 ( 4268 PWs) bands (ev): -91.3403 -91.3403 -90.1524 -90.1524 -90.1356 -90.1356 -90.1256 -90.1256 -90.1256 -90.1256 1.3362 1.3386 1.4736 1.4758 5.0120 5.0132 5.9266 5.9272 6.1635 6.1702 7.5397 7.5492 7.5660 7.5699 7.9857 8.0319 8.2218 8.2244 8.3909 8.4292 11.6189 11.6236 11.7180 11.7279 13.1556 13.1557 k = 0.5417 0.1684 0.2722 ( 4266 PWs) bands (ev): -91.3403 -91.3403 -90.1523 -90.1523 -90.1357 -90.1357 -90.1256 -90.1256 -90.1256 -90.1256 1.3569 1.3594 1.4989 1.5014 4.9161 4.9171 5.9157 5.9163 6.1423 6.1490 7.5488 7.5619 7.5726 7.5821 7.9893 8.0294 8.2194 8.2239 8.4038 8.4395 11.6179 11.6230 11.7553 11.7664 13.1894 13.1901 k = 0.5455 0.1575 0.2784 ( 4274 PWs) bands (ev): -91.3403 -91.3403 -90.1521 -90.1521 -90.1359 -90.1359 -90.1256 -90.1256 -90.1256 -90.1256 1.3794 1.3821 1.5268 1.5294 4.8179 4.8188 5.9039 5.9047 6.1138 6.1203 7.5556 7.5687 7.5891 7.6008 7.9958 8.0293 8.2167 8.2229 8.4155 8.4480 11.6090 11.6140 11.7969 11.8090 13.2183 13.2195 k = 0.5492 0.1465 0.2845 ( 4267 PWs) bands (ev): -91.3403 -91.3403 -90.1519 -90.1519 -90.1361 -90.1361 -90.1256 -90.1256 -90.1256 -90.1256 1.4037 1.4065 1.5572 1.5599 4.7177 4.7184 5.8915 5.8923 6.0790 6.0853 7.5610 7.5731 7.6105 7.6239 8.0054 8.0315 8.2137 8.2213 8.4263 8.4551 11.5916 11.5964 11.8423 11.8552 13.2406 13.2425 k = 0.5530 0.1356 0.2907 ( 4271 PWs) bands (ev): -91.3403 -91.3403 -90.1517 -90.1517 -90.1363 -90.1363 -90.1256 -90.1256 -90.1256 -90.1256 1.4297 1.4327 1.5902 1.5930 4.6156 4.6162 5.8785 5.8793 6.0393 6.0454 7.5660 7.5776 7.6331 7.6491 8.0181 8.0358 8.2103 8.2191 8.4365 8.4610 11.5659 11.5703 11.8911 11.9047 13.2565 13.2590 k = 0.5568 0.1247 0.2969 ( 4275 PWs) bands (ev): -91.3403 -91.3403 -90.1515 -90.1515 -90.1365 -90.1365 -90.1256 -90.1256 -90.1256 -90.1256 1.4575 1.4606 1.6256 1.6285 4.5116 4.5121 5.8650 5.8658 5.9959 6.0017 7.5710 7.5823 7.6554 7.6747 8.0338 8.0423 8.2065 8.2165 8.4466 8.4663 11.5318 11.5357 11.9431 11.9573 13.2669 13.2699 k = 0.5606 0.1137 0.3031 ( 4265 PWs) bands (ev): -91.3403 -91.3403 -90.1513 -90.1513 -90.1367 -90.1367 -90.1256 -90.1256 -90.1256 -90.1256 1.4871 1.4902 1.6635 1.6664 4.4061 4.4064 5.8510 5.8518 5.9499 5.9554 7.5764 7.5875 7.6761 7.6992 8.0506 8.0521 8.2023 8.2133 8.4572 8.4714 11.4897 11.4930 11.9981 12.0127 13.2738 13.2773 k = 0.5644 0.1028 0.3093 ( 4265 PWs) bands (ev): -91.3403 -91.3403 -90.1511 -90.1511 -90.1369 -90.1369 -90.1256 -90.1256 -90.1256 -90.1256 1.5183 1.5215 1.7038 1.7069 4.2991 4.2993 5.8366 5.8373 5.9023 5.9076 7.5822 7.5932 7.6946 7.7216 8.0602 8.0721 8.1978 8.2096 8.4689 8.4770 11.4404 11.4430 12.0558 12.0708 13.2795 13.2833 k = 0.5682 0.0919 0.3155 ( 4263 PWs) bands (ev): -91.3403 -91.3403 -90.1508 -90.1508 -90.1372 -90.1372 -90.1256 -90.1256 -90.1256 -90.1256 1.5511 1.5544 1.7466 1.7497 4.1908 4.1909 5.8218 5.8221 5.8538 5.8592 7.5884 7.5995 7.7103 7.7411 8.0703 8.0928 8.1930 8.2054 8.4823 8.4839 11.3844 11.3862 12.1160 12.1313 13.2858 13.2898 k = 0.5720 0.0809 0.3217 ( 4259 PWs) bands (ev): -91.3403 -91.3403 -90.1506 -90.1506 -90.1374 -90.1374 -90.1256 -90.1256 -90.1256 -90.1256 1.5857 1.5890 1.7918 1.7948 4.0815 4.0815 5.8028 5.8029 5.8090 5.8145 7.5952 7.6062 7.7232 7.7573 8.0800 8.1124 8.1882 8.2008 8.4929 8.4981 11.3230 11.3239 12.1784 12.1941 13.2942 13.2984 k = 0.5758 0.0700 0.3278 ( 4261 PWs) bands (ev): -91.3403 -91.3403 -90.1503 -90.1503 -90.1377 -90.1377 -90.1256 -90.1256 -90.1256 -90.1256 1.6218 1.6251 1.8393 1.8423 3.9712 3.9714 5.7562 5.7594 5.7922 5.7941 7.6024 7.6135 7.7334 7.7703 8.0882 8.1289 8.1838 8.1958 8.5048 8.5167 11.2569 11.2569 12.2430 12.2589 13.3056 13.3099 k = 0.5795 0.0590 0.3340 ( 4260 PWs) bands (ev): -91.3403 -91.3403 -90.1500 -90.1500 -90.1380 -90.1380 -90.1256 -90.1256 -90.1256 -90.1256 1.6595 1.6629 1.8891 1.8921 3.8603 3.8606 5.7086 5.7120 5.7770 5.7785 7.6103 7.6214 7.7409 7.7800 8.0942 8.1399 8.1811 8.1904 8.5203 8.5382 11.1864 11.1874 12.3094 12.3254 13.3205 13.3249 k = 0.5833 0.0481 0.3402 ( 4258 PWs) bands (ev): -91.3403 -91.3403 -90.1497 -90.1497 -90.1383 -90.1383 -90.1256 -90.1256 -90.1256 -90.1256 1.6988 1.7021 1.9410 1.9440 3.7490 3.7495 5.6621 5.6654 5.7618 5.7631 7.6186 7.6298 7.7460 7.7868 8.0974 8.1435 8.1808 8.1845 8.5397 8.5625 11.1134 11.1154 12.3775 12.3935 13.3393 13.3438 k = 0.5871 0.0372 0.3464 ( 4260 PWs) bands (ev): -91.3403 -91.3403 -90.1495 -90.1495 -90.1386 -90.1386 -90.1256 -90.1256 -90.1256 -90.1256 1.7395 1.7429 1.9950 1.9979 3.6377 3.6383 5.6170 5.6201 5.7467 5.7479 7.6275 7.6388 7.7488 7.7906 8.0978 8.1407 8.1781 8.1819 8.5625 8.5892 11.0390 11.0421 12.4468 12.4630 13.3621 13.3667 k = 0.5909 0.0262 0.3526 ( 4260 PWs) bands (ev): -91.3403 -91.3403 -90.1492 -90.1492 -90.1388 -90.1388 -90.1256 -90.1256 -90.1256 -90.1256 1.7816 1.7850 2.0509 2.0537 3.5266 3.5275 5.5736 5.5765 5.7316 5.7328 7.6370 7.6482 7.7494 7.7917 8.0955 8.1343 8.1711 8.1816 8.5881 8.6175 10.9641 10.9683 12.5173 12.5334 13.3887 13.3934 k = 0.5947 0.0153 0.3588 ( 4258 PWs) bands (ev): -91.3403 -91.3403 -90.1489 -90.1489 -90.1391 -90.1391 -90.1256 -90.1256 -90.1256 -90.1256 1.8251 1.8284 2.1086 2.1113 3.4163 3.4173 5.5320 5.5348 5.7168 5.7180 7.6469 7.6580 7.7479 7.7901 8.0911 8.1258 8.1634 8.1791 8.6155 8.6467 10.8897 10.8949 12.5886 12.6046 13.4191 13.4239 k = 0.5985 0.0044 0.3649 ( 4254 PWs) bands (ev): -91.3403 -91.3403 -90.1486 -90.1486 -90.1394 -90.1394 -90.1256 -90.1256 -90.1256 -90.1256 1.8696 1.8729 2.1677 2.1702 3.3073 3.3085 5.4924 5.4950 5.7023 5.7033 7.6573 7.6682 7.7443 7.7855 8.0850 8.1162 8.1551 8.1743 8.6436 8.6758 10.8166 10.8228 12.6605 12.6763 13.4532 13.4580 k = 0.6023-0.0066 0.3711 ( 4255 PWs) bands (ev): -91.3403 -91.3403 -90.1483 -90.1483 -90.1397 -90.1397 -90.1256 -90.1256 -90.1256 -90.1256 1.9151 1.9184 2.2279 2.2300 3.2002 3.2018 5.4549 5.4573 5.6880 5.6890 7.6682 7.6782 7.7387 7.7779 8.0779 8.1056 8.1463 8.1678 8.6714 8.7042 10.7455 10.7528 12.7326 12.7482 13.4906 13.4955 k = 0.6061-0.0175 0.3773 ( 4257 PWs) bands (ev): -91.3403 -91.3403 -90.1480 -90.1480 -90.1400 -90.1400 -90.1256 -90.1256 -90.1256 -90.1256 1.9611 1.9643 2.2882 2.2899 3.0964 3.0985 5.4195 5.4217 5.6740 5.6750 7.6796 7.6872 7.7320 7.7670 8.0703 8.0943 8.1371 8.1601 8.6980 8.7310 10.6773 10.6855 12.8046 12.8200 13.5313 13.5362 k = 0.6098-0.0284 0.3835 ( 4258 PWs) bands (ev): -91.3403 -91.3403 -90.1477 -90.1477 -90.1403 -90.1403 -90.1256 -90.1256 -90.1256 -90.1256 2.0071 2.0102 2.3473 2.3484 2.9980 3.0007 5.3865 5.3885 5.6605 5.6613 7.6912 7.6915 7.7274 7.7526 8.0624 8.0824 8.1278 8.1519 8.7225 8.7556 10.6124 10.6216 12.8763 12.8914 13.5749 13.5800 k = 0.6136-0.0394 0.3897 ( 4256 PWs) bands (ev): -91.3403 -91.3403 -90.1474 -90.1474 -90.1406 -90.1406 -90.1256 -90.1256 -90.1256 -90.1256 2.0518 2.0548 2.4024 2.4025 2.9090 2.9126 5.3557 5.3576 5.6474 5.6482 7.6854 7.7032 7.7305 7.7345 8.0545 8.0701 8.1187 8.1438 8.7444 8.7774 10.5516 10.5615 12.9474 12.9621 13.6212 13.6264 k = 0.6174-0.0503 0.3959 ( 4250 PWs) bands (ev): -91.3403 -91.3403 -90.1472 -90.1472 -90.1408 -90.1408 -90.1256 -90.1256 -90.1256 -90.1256 2.0933 2.0961 2.4460 2.4474 2.8375 2.8426 5.3274 5.3292 5.6348 5.6355 7.6698 7.7116 7.7164 7.7400 8.0468 8.0573 8.1101 8.1361 8.7631 8.7960 10.4953 10.5059 13.0175 13.0318 13.6700 13.6753 k = 0.6212-0.0612 0.4021 ( 4248 PWs) bands (ev): -91.3403 -91.3403 -90.1470 -90.1470 -90.1410 -90.1410 -90.1256 -90.1256 -90.1256 -90.1256 2.1271 2.1297 2.4692 2.4725 2.7979 2.8046 5.3016 5.3031 5.6227 5.6233 7.6485 7.6866 7.7281 7.7522 8.0392 8.0443 8.1025 8.1293 8.7783 8.8110 10.4438 10.4549 13.0863 13.1002 13.7211 13.7265 k = 0.6250-0.0722 0.4082 ( 4246 PWs) bands (ev): -91.3403 -91.3403 -90.1468 -90.1468 -90.1412 -90.1412 -90.1256 -90.1256 -90.1256 -90.1256 2.1447 2.1469 2.4701 2.4746 2.8016 2.8093 5.2782 5.2796 5.6112 5.6117 7.6227 7.6572 7.7406 7.7655 8.0310 8.0314 8.0962 8.1237 8.7897 8.8222 10.3974 10.4090 13.1537 13.1672 13.7741 13.7797 k = 0.6250-0.0722 0.4082 ( 4246 PWs) bands (ev): -91.3403 -91.3403 -90.1468 -90.1468 -90.1412 -90.1412 -90.1256 -90.1256 -90.1256 -90.1256 2.1447 2.1469 2.4701 2.4746 2.8016 2.8093 5.2782 5.2796 5.6112 5.6117 7.6227 7.6572 7.7406 7.7655 8.0310 8.0314 8.0962 8.1237 8.7897 8.8222 10.3974 10.4090 13.1537 13.1672 13.7741 13.7797 k = 0.6184-0.0684 0.4190 ( 4255 PWs) bands (ev): -91.3403 -91.3403 -90.1468 -90.1468 -90.1412 -90.1412 -90.1256 -90.1256 -90.1256 -90.1256 2.1456 2.1478 2.4711 2.4755 2.8029 2.8105 5.2350 5.2369 5.6523 5.6534 7.6226 7.6568 7.7403 7.7652 8.0188 8.0427 8.0902 8.1310 8.7910 8.8234 10.3955 10.4072 13.1524 13.1659 13.7676 13.7739 k = 0.6118-0.0646 0.4297 ( 4247 PWs) bands (ev): -91.3403 -91.3403 -90.1468 -90.1468 -90.1412 -90.1412 -90.1256 -90.1256 -90.1256 -90.1256 2.1483 2.1505 2.4738 2.4783 2.8065 2.8141 5.1399 5.1422 5.7426 5.7439 7.6225 7.6559 7.7394 7.7642 8.0065 8.0500 8.0830 8.1450 8.7947 8.8270 10.3896 10.4017 13.1484 13.1624 13.7485 13.7568 k = 0.6053-0.0608 0.4405 ( 4247 PWs) bands (ev): -91.3403 -91.3403 -90.1467 -90.1467 -90.1413 -90.1413 -90.1256 -90.1256 -90.1256 -90.1256 2.1527 2.1549 2.4784 2.4830 2.8125 2.8201 5.0263 5.0289 5.8485 5.8495 7.6222 7.6542 7.7378 7.7625 7.9944 8.0460 8.0863 8.1605 8.8009 8.8330 10.3798 10.3925 13.1420 13.1566 13.7183 13.7290 k = 0.5987-0.0570 0.4512 ( 4249 PWs) bands (ev): -91.3403 -91.3403 -90.1467 -90.1467 -90.1413 -90.1413 -90.1256 -90.1256 -90.1256 -90.1256 2.1589 2.1611 2.4849 2.4895 2.8209 2.8286 4.9057 4.9085 5.9583 5.9589 7.6217 7.6518 7.7355 7.7600 7.9828 8.0344 8.0978 8.1765 8.8098 8.8416 10.3663 10.3799 13.1333 13.1488 13.6785 13.6915 k = 0.5921-0.0532 0.4620 ( 4250 PWs) bands (ev): -91.3403 -91.3403 -90.1466 -90.1466 -90.1414 -90.1414 -90.1256 -90.1256 -90.1256 -90.1256 2.1668 2.1690 2.4930 2.4979 2.8318 2.8395 4.7820 4.7849 6.0678 6.0680 7.6210 7.6484 7.7322 7.7568 7.9717 8.0211 8.1118 8.1926 8.8215 8.8529 10.3491 10.3638 13.1228 13.1393 13.6308 13.6462 k = 0.5855-0.0494 0.4727 ( 4260 PWs) bands (ev): -91.3403 -91.3403 -90.1465 -90.1465 -90.1415 -90.1415 -90.1256 -90.1256 -90.1256 -90.1256 2.1764 2.1786 2.5029 2.5079 2.8451 2.8528 4.6570 4.6599 6.1747 6.1752 7.6200 7.6439 7.7280 7.7525 7.9612 8.0081 8.1269 8.2085 8.8360 8.8671 10.3284 10.3443 13.1107 13.1283 13.5772 13.5947 k = 0.5789-0.0456 0.4835 ( 4252 PWs) bands (ev): -91.3403 -91.3403 -90.1464 -90.1464 -90.1416 -90.1416 -90.1256 -90.1256 -90.1256 -90.1256 2.1877 2.1899 2.5143 2.5196 2.8608 2.8685 4.5316 4.5346 6.2778 6.2791 7.6188 7.6382 7.7228 7.7470 7.9513 7.9961 8.1424 8.2243 8.8537 8.8842 10.3046 10.3219 13.0974 13.1163 13.5196 13.5392 k = 0.5724-0.0418 0.4942 ( 4256 PWs) bands (ev): -91.3403 -91.3403 -90.1463 -90.1463 -90.1417 -90.1417 -90.1256 -90.1256 -90.1256 -90.1256 2.2007 2.2029 2.5273 2.5328 2.8788 2.8867 4.4065 4.4096 6.3764 6.3786 7.6171 7.6310 7.7167 7.7401 7.9423 7.9857 8.1581 8.2396 8.8745 8.9044 10.2778 10.2966 13.0832 13.1034 13.4599 13.4813 k = 0.5658-0.0380 0.5049 ( 4260 PWs) bands (ev): -91.3403 -91.3403 -90.1462 -90.1462 -90.1418 -90.1418 -90.1256 -90.1256 -90.1256 -90.1256 2.2152 2.2173 2.5417 2.5475 2.8993 2.9072 4.2824 4.2856 6.4697 6.4731 7.6149 7.6226 7.7099 7.7315 7.9344 7.9769 8.1737 8.2543 8.8985 8.9277 10.2484 10.2688 13.0685 13.0898 13.3997 13.4228 k = 0.5592-0.0342 0.5157 ( 4256 PWs) bands (ev): -91.3403 -91.3403 -90.1461 -90.1461 -90.1419 -90.1419 -90.1256 -90.1256 -90.1256 -90.1256 2.2312 2.2333 2.5572 2.5634 2.9221 2.9302 4.1598 4.1631 6.5570 6.5618 7.6104 7.6144 7.7026 7.7212 7.9277 7.9698 8.1888 8.2681 8.9256 8.9541 10.2170 10.2390 13.0534 13.0758 13.3409 13.3654 k = 0.5526-0.0304 0.5264 ( 4252 PWs) bands (ev): -91.3403 -91.3403 -90.1459 -90.1459 -90.1421 -90.1421 -90.1256 -90.1256 -90.1256 -90.1256 2.2486 2.2507 2.5737 2.5803 2.9472 2.9554 4.0392 4.0426 6.6377 6.6440 7.6000 7.6105 7.6947 7.7095 7.9224 7.9642 8.2032 8.2810 8.9555 8.9832 10.1839 10.2078 13.0382 13.0612 13.2851 13.3107 k = 0.5461-0.0266 0.5372 ( 4251 PWs) bands (ev): -91.3403 -91.3403 -90.1458 -90.1458 -90.1422 -90.1422 -90.1256 -90.1256 -90.1256 -90.1256 2.2672 2.2692 2.5909 2.5980 2.9745 2.9829 3.9214 3.9249 6.7111 6.7190 7.5877 7.6071 7.6860 7.6972 7.9186 7.9598 8.2166 8.2926 8.9874 9.0146 10.1501 10.1759 13.0228 13.0459 13.2341 13.2602 k = 0.5395-0.0228 0.5479 ( 4253 PWs) bands (ev): -91.3403 -91.3403 -90.1456 -90.1456 -90.1424 -90.1424 -90.1256 -90.1256 -90.1256 -90.1256 2.2868 2.2888 2.6082 2.6159 3.0038 3.0125 3.8074 3.8110 6.7765 6.7863 7.5752 7.6033 7.6757 7.6859 7.9161 7.9566 8.2286 8.3029 9.0206 9.0474 10.1163 10.1441 13.0072 13.0293 13.1898 13.2153 k = 0.5329-0.0190 0.5587 ( 4245 PWs) bands (ev): -91.3403 -91.3403 -90.1454 -90.1454 -90.1426 -90.1426 -90.1256 -90.1256 -90.1256 -90.1256 2.3072 2.3090 2.6252 2.6334 3.0348 3.0439 3.6985 3.7020 6.8334 6.8449 7.5632 7.5993 7.6637 7.6765 7.9146 7.9541 8.2391 8.3117 9.0537 9.0803 10.0838 10.1135 12.9917 13.0112 13.1536 13.1772 k = 0.5263-0.0152 0.5694 ( 4247 PWs) bands (ev): -91.3403 -91.3403 -90.1452 -90.1452 -90.1428 -90.1428 -90.1256 -90.1256 -90.1256 -90.1256 2.3278 2.3295 2.6409 2.6499 3.0669 3.0765 3.5965 3.6000 6.8810 6.8942 7.5529 7.5951 7.6519 7.6680 7.9140 7.9524 8.2479 8.3189 9.0851 9.1118 10.0537 10.0855 12.9763 12.9919 13.1262 13.1467 k = 0.5197-0.0114 0.5801 ( 4251 PWs) bands (ev): -91.3403 -91.3403 -90.1451 -90.1451 -90.1429 -90.1429 -90.1256 -90.1256 -90.1256 -90.1256 2.3479 2.3493 2.6544 2.6642 3.0988 3.1094 3.5048 3.5079 6.9186 6.9331 7.5451 7.5910 7.6418 7.6599 7.9139 7.9512 8.2549 8.3245 9.1127 9.1399 10.0278 10.0614 12.9621 12.9731 13.1070 13.1242 k = 0.5132-0.0076 0.5909 ( 4253 PWs) bands (ev): -91.3403 -91.3403 -90.1449 -90.1449 -90.1431 -90.1431 -90.1256 -90.1256 -90.1256 -90.1256 2.3661 2.3672 2.6644 2.6749 3.1280 3.1399 3.4286 3.4308 6.9457 6.9611 7.5406 7.5875 7.6347 7.6523 7.9141 7.9505 8.2598 8.3284 9.1346 9.1623 10.0078 10.0429 12.9502 12.9571 13.0946 13.1093 k = 0.5066-0.0038 0.6016 ( 4242 PWs) bands (ev): -91.3403 -91.3403 -90.1448 -90.1448 -90.1432 -90.1432 -90.1256 -90.1256 -90.1256 -90.1256 2.3802 2.3808 2.6698 2.6809 3.1492 3.1629 3.3766 3.3775 6.9618 6.9776 7.5391 7.5851 7.6311 7.6458 7.9144 7.9501 8.2628 8.3307 9.1488 9.1768 9.9951 10.0312 12.9421 12.9464 13.0876 13.1011 k = 0.5000-0.0000 0.6124 ( 4240 PWs) bands (ev): -91.3403 -91.3403 -90.1448 -90.1448 -90.1432 -90.1432 -90.1256 -90.1256 -90.1256 -90.1256 2.3862 2.3863 2.6711 2.6825 3.1562 3.1709 3.3586 3.3587 6.9670 6.9830 7.5392 7.5843 7.6303 7.6426 7.9145 7.9500 8.2638 8.3315 9.1537 9.1819 9.9907 10.0272 12.9391 12.9426 13.0853 13.0986 k = 0.5000-0.0000 0.6124 ( 4240 PWs) bands (ev): -91.3403 -91.3403 -90.1448 -90.1448 -90.1432 -90.1432 -90.1256 -90.1256 -90.1256 -90.1256 2.3862 2.3863 2.6711 2.6825 3.1562 3.1709 3.3586 3.3587 6.9670 6.9830 7.5392 7.5843 7.6303 7.6426 7.9145 7.9500 8.2638 8.3315 9.1537 9.1819 9.9907 10.0272 12.9391 12.9426 13.0853 13.0986 k = 0.5000 0.0076 0.6016 ( 4242 PWs) bands (ev): -91.3403 -91.3403 -90.1449 -90.1449 -90.1431 -90.1431 -90.1256 -90.1256 -90.1256 -90.1256 2.3761 2.3770 2.6731 2.6841 3.1422 3.1554 3.3840 3.3853 6.9639 6.9803 7.5371 7.5880 7.6279 7.6477 7.9144 7.9501 8.2638 8.3316 9.1476 9.1754 9.9990 10.0350 12.9369 12.9411 13.0851 13.0988 k = 0.5000 0.0152 0.5909 ( 4252 PWs) bands (ev): -91.3403 -91.3403 -90.1451 -90.1451 -90.1429 -90.1429 -90.1256 -90.1256 -90.1256 -90.1256 2.3494 2.3511 2.6745 2.6845 3.1182 3.1292 3.4439 3.4467 6.9548 6.9722 7.5328 7.5952 7.6274 7.6579 7.9141 7.9503 8.2638 8.3318 9.1301 9.1567 10.0232 10.0576 12.9304 12.9362 13.0845 13.0995 k = 0.5000 0.0228 0.5801 ( 4248 PWs) bands (ev): -91.3403 -91.3403 -90.1454 -90.1454 -90.1426 -90.1426 -90.1256 -90.1256 -90.1256 -90.1256 2.3115 2.3137 2.6660 2.6742 3.1070 3.1156 3.5197 3.5234 6.9402 6.9589 7.5288 7.5982 7.6362 7.6701 7.9137 7.9507 8.2638 8.3321 9.1028 9.1278 10.0611 10.0933 12.9200 12.9276 13.0838 13.1006 k = 0.5000 0.0304 0.5694 ( 4246 PWs) bands (ev): -91.3403 -91.3403 -90.1457 -90.1457 -90.1423 -90.1423 -90.1256 -90.1256 -90.1256 -90.1256 2.2671 2.2697 2.6410 2.6472 3.1176 3.1238 3.6039 3.6081 6.9211 6.9407 7.5259 7.5965 7.6532 7.6839 7.9132 7.9512 8.2639 8.3326 9.0678 9.0911 10.1103 10.1401 12.9056 12.9151 13.0830 13.1020 k = 0.5000 0.0380 0.5587 ( 4242 PWs) bands (ev): -91.3403 -91.3403 -90.1460 -90.1460 -90.1420 -90.1420 -90.1256 -90.1256 -90.1256 -90.1256 2.2192 2.2220 2.6001 2.6045 3.1490 3.1530 3.6932 3.6977 6.8981 6.9184 7.5243 7.5933 7.6739 7.6987 7.9126 7.9518 8.2640 8.3331 9.0272 9.0490 10.1684 10.1959 12.8872 12.8986 13.0824 13.1037 k = 0.5000 0.0456 0.5479 ( 4248 PWs) bands (ev): -91.3403 -91.3403 -90.1464 -90.1464 -90.1416 -90.1416 -90.1256 -90.1256 -90.1256 -90.1256 2.1694 2.1725 2.5479 2.5512 3.1958 3.1982 3.7862 3.7909 6.8721 6.8925 7.5238 7.5900 7.6960 7.7143 7.9120 7.9526 8.2641 8.3338 8.9828 9.0035 10.2335 10.2587 12.8648 12.8780 13.0820 13.1056 k = 0.5000 0.0532 0.5372 ( 4246 PWs) bands (ev): -91.3403 -91.3403 -90.1467 -90.1467 -90.1413 -90.1413 -90.1256 -90.1256 -90.1256 -90.1256 2.1191 2.1222 2.4891 2.4918 3.2531 3.2544 3.8820 3.8868 6.8437 6.8638 7.5240 7.5868 7.7178 7.7305 7.9116 7.9535 8.2642 8.3344 8.9361 8.9560 10.3038 10.3270 12.8383 12.8531 13.0820 13.1078 k = 0.5000 0.0608 0.5264 ( 4252 PWs) bands (ev): -91.3403 -91.3403 -90.1471 -90.1471 -90.1409 -90.1409 -90.1256 -90.1256 -90.1256 -90.1256 2.0688 2.0720 2.4269 2.4295 3.3175 3.3182 3.9800 3.9849 6.8135 6.8329 7.5247 7.5838 7.7373 7.7479 7.9116 7.9546 8.2644 8.3350 8.8883 8.9076 10.3783 10.3997 12.8077 12.8241 13.0825 13.1104 k = 0.5000 0.0684 0.5157 ( 4254 PWs) bands (ev): -91.3403 -91.3403 -90.1474 -90.1474 -90.1406 -90.1406 -90.1256 -90.1256 -90.1256 -90.1256 2.0190 2.0222 2.3634 2.3660 3.3869 3.3875 4.0799 4.0849 6.7819 6.8003 7.5257 7.5812 7.7532 7.7664 7.9123 7.9560 8.2646 8.3354 8.8404 8.8592 10.4558 10.4757 12.7730 12.7908 13.0837 13.1135 k = 0.5000 0.0760 0.5049 ( 4254 PWs) bands (ev): -91.3403 -91.3403 -90.1478 -90.1478 -90.1402 -90.1402 -90.1256 -90.1256 -90.1256 -90.1256 1.9700 1.9733 2.2998 2.3024 3.4600 3.4608 4.1812 4.1863 6.7493 6.7666 7.5270 7.5787 7.7661 7.7838 7.9141 7.9577 8.2648 8.3356 8.7931 8.8117 10.5357 10.5543 12.7342 12.7533 13.0856 13.1172 k = 0.5000 0.0836 0.4942 ( 4260 PWs) bands (ev): -91.3403 -91.3403 -90.1481 -90.1481 -90.1399 -90.1399 -90.1256 -90.1256 -90.1256 -90.1256 1.9220 1.9253 2.2368 2.2395 3.5362 3.5372 4.2838 4.2889 6.7162 6.7321 7.5283 7.5765 7.7762 7.7983 7.9176 7.9598 8.2648 8.3354 8.7471 8.7655 10.6171 10.6346 12.6915 12.7117 13.0884 13.1216 k = 0.5000 0.0912 0.4835 ( 4264 PWs) bands (ev): -91.3403 -91.3403 -90.1484 -90.1484 -90.1396 -90.1396 -90.1256 -90.1256 -90.1256 -90.1256 1.8752 1.8785 2.1750 2.1778 3.6149 3.6161 4.3872 4.3924 6.6828 6.6973 7.5297 7.5744 7.7834 7.8087 7.9233 7.9623 8.2647 8.3345 8.7032 8.7212 10.6995 10.7160 12.6451 12.6664 13.0922 13.1268 k = 0.5000 0.0988 0.4727 ( 4262 PWs) bands (ev): -91.3403 -91.3403 -90.1488 -90.1488 -90.1392 -90.1392 -90.1256 -90.1256 -90.1256 -90.1256 1.8297 1.8330 2.1147 2.1176 3.6957 3.6971 4.4913 4.4966 6.6495 6.6624 7.5310 7.5725 7.7875 7.8143 7.9312 7.9653 8.2643 8.3327 8.6620 8.6793 10.7823 10.7978 12.5953 12.6174 13.0973 13.1330 k = 0.5000 0.1064 0.4620 ( 4266 PWs) bands (ev): -91.3403 -91.3403 -90.1491 -90.1491 -90.1389 -90.1389 -90.1256 -90.1256 -90.1256 -90.1256 1.7855 1.7889 2.0561 2.0591 3.7783 3.7799 4.5958 4.6011 6.6164 6.6278 7.5323 7.5707 7.7882 7.8152 7.9407 7.9686 8.2634 8.3298 8.6241 8.6403 10.8647 10.8793 12.5423 12.5652 13.1037 13.1403 k = 0.5000 0.1140 0.4512 ( 4262 PWs) bands (ev): -91.3403 -91.3403 -90.1494 -90.1494 -90.1386 -90.1386 -90.1256 -90.1256 -90.1256 -90.1256 1.7429 1.7463 1.9995 2.0025 3.8625 3.8642 4.7002 4.7057 6.5838 6.5935 7.5336 7.5690 7.7855 7.8118 7.9510 7.9722 8.2619 8.3254 8.5903 8.6047 10.9462 10.9599 12.4865 12.5101 13.1116 13.1488 k = 0.5000 0.1215 0.4405 ( 4266 PWs) bands (ev): -91.3403 -91.3403 -90.1497 -90.1497 -90.1383 -90.1383 -90.1256 -90.1256 -90.1256 -90.1256 1.7017 1.7051 1.9449 1.9480 3.9481 3.9499 4.8044 4.8100 6.5518 6.5599 7.5348 7.5673 7.7794 7.8048 7.9609 7.9760 8.2595 8.3194 8.5610 8.5728 11.0261 11.0389 12.4285 12.4526 13.1212 13.1587 k = 0.5000 0.1291 0.4297 ( 4256 PWs) bands (ev): -91.3403 -91.3403 -90.1500 -90.1500 -90.1380 -90.1380 -90.1256 -90.1256 -90.1256 -90.1256 1.6621 1.6655 1.8925 1.8956 4.0349 4.0367 4.9078 4.9136 6.5207 6.5272 7.5358 7.5656 7.7699 7.7945 7.9688 7.9806 8.2562 8.3118 8.5363 8.5451 11.1036 11.1154 12.3686 12.3933 13.1325 13.1700 k = 0.5000 0.1367 0.4190 ( 4260 PWs) bands (ev): -91.3403 -91.3403 -90.1503 -90.1503 -90.1377 -90.1377 -90.1256 -90.1256 -90.1256 -90.1256 1.6241 1.6274 1.8423 1.8454 4.1227 4.1246 5.0102 5.0161 6.4906 6.4954 7.5368 7.5640 7.7570 7.7814 7.9737 7.9866 8.2519 8.3029 8.5154 8.5225 11.1780 11.1886 12.3075 12.3326 13.1453 13.1825 k = 0.5000 0.1443 0.4082 ( 4256 PWs) bands (ev): -91.3403 -91.3403 -90.1505 -90.1505 -90.1375 -90.1375 -90.1256 -90.1256 -90.1256 -90.1256 1.5877 1.5910 1.7945 1.7976 4.2115 4.2134 5.1109 5.1170 6.4616 6.4647 7.5377 7.5623 7.7410 7.7656 7.9758 7.9932 8.2467 8.2935 8.4968 8.5058 11.2485 11.2578 12.2456 12.2711 13.1594 13.1959 k = 0.5000 0.1519 0.3975 ( 4260 PWs) bands (ev): -91.3403 -91.3403 -90.1508 -90.1508 -90.1372 -90.1372 -90.1256 -90.1256 -90.1256 -90.1256 1.5529 1.5562 1.7490 1.7521 4.3010 4.3030 5.2093 5.2157 6.4339 6.4353 7.5384 7.5606 7.7222 7.7474 7.9762 7.9993 8.2408 8.2843 8.4803 8.4937 11.3142 11.3221 12.1835 12.2094 13.1743 13.2096 k = 0.5000 0.1595 0.3868 ( 4266 PWs) bands (ev): -91.3403 -91.3403 -90.1511 -90.1511 -90.1370 -90.1370 -90.1256 -90.1256 -90.1256 -90.1256 1.5198 1.5231 1.7059 1.7090 4.3911 4.3931 5.3050 5.3117 6.4072 6.4076 7.5390 7.5588 7.7011 7.7271 7.9756 8.0046 8.2348 8.2759 8.4662 8.4846 11.3743 11.3808 12.1218 12.1480 13.1890 13.2227 k = 0.5000 0.1671 0.3760 ( 4270 PWs) bands (ev): -91.3403 -91.3403 -90.1513 -90.1513 -90.1367 -90.1367 -90.1256 -90.1256 -90.1256 -90.1256 1.4884 1.4916 1.6653 1.6683 4.4816 4.4837 5.3970 5.4041 6.3807 6.3828 7.5395 7.5568 7.6784 7.7049 7.9744 8.0090 8.2292 8.2685 8.4541 8.4773 11.4278 11.4334 12.0610 12.0874 13.2020 13.2336 k = 0.5000 0.1747 0.3653 ( 4274 PWs) bands (ev): -91.3403 -91.3403 -90.1515 -90.1515 -90.1365 -90.1365 -90.1256 -90.1256 -90.1256 -90.1256 1.4588 1.4618 1.6272 1.6301 4.5725 4.5747 5.4845 5.4921 6.3556 6.3596 7.5397 7.5546 7.6550 7.6815 7.9729 8.0126 8.2242 8.2623 8.4434 8.4708 11.4738 11.4795 12.0016 12.0282 13.2115 13.2404 k = 0.5000 0.1823 0.3545 ( 4274 PWs) bands (ev): -91.3403 -91.3403 -90.1517 -90.1517 -90.1363 -90.1363 -90.1256 -90.1256 -90.1256 -90.1256 1.4308 1.4338 1.5915 1.5943 4.6635 4.6657 5.5667 5.5748 6.3322 6.3379 7.5396 7.5520 7.6320 7.6577 7.9715 8.0158 8.2202 8.2572 8.4333 8.4644 11.5117 11.5187 11.9440 11.9708 13.2152 13.2409 k = 0.5000 0.1899 0.3438 ( 4276 PWs) bands (ev): -91.3403 -91.3403 -90.1519 -90.1519 -90.1361 -90.1361 -90.1256 -90.1256 -90.1256 -90.1256 1.4046 1.4074 1.5584 1.5611 4.7545 4.7568 5.6425 5.6513 6.3104 6.3178 7.5389 7.5489 7.6105 7.6343 7.9706 8.0188 8.2172 8.2531 8.4232 8.4576 11.5414 11.5505 11.8888 11.9158 13.2110 13.2331 k = 0.5000 0.1975 0.3330 ( 4276 PWs) bands (ev): -91.3403 -91.3403 -90.1521 -90.1521 -90.1359 -90.1359 -90.1256 -90.1256 -90.1256 -90.1256 1.3802 1.3829 1.5278 1.5304 4.8453 4.8476 5.7110 5.7204 6.2901 6.2991 7.5372 7.5451 7.5921 7.6125 7.9704 8.0221 8.2152 8.2497 8.4128 8.4499 11.5629 11.5746 11.8364 11.8635 13.1977 13.2160 k = 0.5000 0.2051 0.3223 ( 4268 PWs) bands (ev): -91.3403 -91.3403 -90.1523 -90.1523 -90.1357 -90.1357 -90.1256 -90.1256 -90.1256 -90.1256 1.3576 1.3601 1.4998 1.5022 4.9356 4.9379 5.7712 5.7814 6.2709 6.2814 7.5329 7.5414 7.5780 7.5936 7.9712 8.0259 8.2141 8.2468 8.4014 8.4408 11.5766 11.5909 11.7873 11.8144 13.1758 13.1903 k = 0.5000 0.2127 0.3116 ( 4270 PWs) bands (ev): -91.3403 -91.3403 -90.1524 -90.1524 -90.1356 -90.1356 -90.1256 -90.1256 -90.1256 -90.1256 1.3368 1.3392 1.4742 1.4765 5.0253 5.0276 5.8227 5.8333 6.2525 6.2640 7.5263 7.5382 7.5682 7.5790 7.9733 8.0306 8.2136 8.2444 8.3889 8.4302 11.5830 11.5997 11.7419 11.7689 13.1468 13.1579 k = 0.5000 0.2203 0.3008 ( 4272 PWs) bands (ev): -91.3403 -91.3403 -90.1526 -90.1526 -90.1354 -90.1354 -90.1256 -90.1256 -90.1256 -90.1256 1.3178 1.3200 1.4512 1.4533 5.1140 5.1163 5.8651 5.8761 6.2341 6.2462 7.5199 7.5347 7.5616 7.5694 7.9769 8.0367 8.2137 8.2422 8.3749 8.4178 11.5827 11.6012 11.7009 11.7273 13.1134 13.1216 k = 0.5000 0.2279 0.2901 ( 4266 PWs) bands (ev): -91.3403 -91.3403 -90.1527 -90.1527 -90.1353 -90.1353 -90.1256 -90.1256 -90.1256 -90.1256 1.3008 1.3028 1.4307 1.4326 5.2014 5.2038 5.8988 5.9098 6.2145 6.2268 7.5159 7.5315 7.5573 7.5639 7.9822 8.0444 8.2140 8.2402 8.3595 8.4033 11.5767 11.5957 11.6651 11.6899 13.0784 13.0842 k = 0.5000 0.2355 0.2793 ( 4264 PWs) bands (ev): -91.3403 -91.3403 -90.1528 -90.1528 -90.1352 -90.1352 -90.1256 -90.1256 -90.1256 -90.1256 1.2857 1.2875 1.4127 1.4144 5.2872 5.2895 5.9246 5.9351 6.1926 6.2044 7.5152 7.5300 7.5548 7.5605 7.9896 8.0540 8.2143 8.2383 8.3426 8.3867 11.5663 11.5835 11.6357 11.6569 13.0442 13.0481 k = 0.5000 0.2431 0.2686 ( 4266 PWs) bands (ev): -91.3403 -91.3403 -90.1529 -90.1529 -90.1351 -90.1351 -90.1256 -90.1256 -90.1256 -90.1256 1.2725 1.2741 1.3972 1.3987 5.3708 5.3731 5.9436 5.9533 6.1673 6.1781 7.5178 7.5310 7.5536 7.5582 7.9994 8.0656 8.2142 8.2366 8.3248 8.3680 11.5529 11.5659 11.6129 11.6285 13.0126 13.0151 k = 0.5000 0.2507 0.2578 ( 4268 PWs) bands (ev): -91.3403 -91.3403 -90.1530 -90.1530 -90.1350 -90.1350 -90.1256 -90.1256 -90.1256 -90.1256 1.2614 1.2627 1.3841 1.3854 5.4516 5.4538 5.9572 5.9657 6.1377 6.1473 7.5227 7.5343 7.5531 7.5566 8.0117 8.0791 8.2130 8.2353 8.3066 8.3473 11.5381 11.5463 11.5949 11.6046 12.9848 12.9863 k = 0.5000 0.2583 0.2471 ( 4274 PWs) bands (ev): -91.3403 -91.3403 -90.1531 -90.1531 -90.1349 -90.1349 -90.1256 -90.1256 -90.1256 -90.1256 1.2522 1.2533 1.3735 1.3745 5.5285 5.5307 5.9666 5.9735 6.1039 6.1120 7.5289 7.5389 7.5532 7.5555 8.0267 8.0938 8.2101 8.2348 8.2893 8.3250 11.5236 11.5279 11.5799 11.5850 12.9615 12.9624 k = 0.5000 0.2659 0.2364 ( 4274 PWs) bands (ev): -91.3403 -91.3403 -90.1531 -90.1531 -90.1349 -90.1349 -90.1256 -90.1256 -90.1256 -90.1256 1.2451 1.2459 1.3652 1.3660 5.5999 5.6020 5.9725 5.9777 6.0670 6.0736 7.5351 7.5434 7.5538 7.5552 8.0441 8.1077 8.2058 8.2352 8.2745 8.3016 11.5109 11.5127 11.5675 11.5697 12.9432 12.9438 k = 0.5000 0.2735 0.2256 ( 4274 PWs) bands (ev): -91.3403 -91.3403 -90.1532 -90.1532 -90.1348 -90.1348 -90.1256 -90.1256 -90.1256 -90.1256 1.2400 1.2406 1.3594 1.3599 5.6627 5.6646 5.9750 5.9782 6.0309 6.0358 7.5403 7.5461 7.5552 7.5558 8.0634 8.1165 8.2036 8.2358 8.2632 8.2784 11.5009 11.5015 11.5579 11.5587 12.9301 12.9304 k = 0.5000 0.2811 0.2149 ( 4274 PWs) bands (ev): -91.3403 -91.3403 -90.1532 -90.1532 -90.1348 -90.1348 -90.1256 -90.1256 -90.1256 -90.1256 1.2370 1.2373 1.3560 1.3562 5.7100 5.7113 5.9720 5.9729 6.0054 6.0078 7.5438 7.5467 7.5568 7.5569 8.0834 8.1145 8.2094 8.2340 8.2557 8.2591 11.4946 11.4947 11.5519 11.5521 12.9223 12.9224 k = 0.5000 0.2887 0.2041 ( 4236 PWs) bands (ev): -91.3403 -91.3403 -90.1532 -90.1532 -90.1348 -90.1348 -90.1256 -90.1256 -90.1256 -90.1256 1.2361 1.2361 1.3549 1.3549 5.7293 5.7293 5.9668 5.9668 5.9989 5.9989 7.5458 7.5458 7.5575 7.5575 8.1017 8.1017 8.2229 8.2229 8.2525 8.2525 11.4925 11.4925 11.5499 11.5499 12.9197 12.9197 k = 0.5000 0.2887 0.2041 ( 4236 PWs) bands (ev): -91.3403 -91.3403 -90.1532 -90.1532 -90.1348 -90.1348 -90.1256 -90.1256 -90.1256 -90.1256 1.2361 1.2361 1.3549 1.3549 5.7293 5.7293 5.9668 5.9668 5.9989 5.9989 7.5458 7.5458 7.5575 7.5575 8.1017 8.1017 8.2229 8.2229 8.2525 8.2525 11.4925 11.4925 11.5499 11.5499 12.9197 12.9197 k = 0.4962 0.2865 0.2165 ( 4271 PWs) bands (ev): -91.3403 -91.3403 -90.1532 -90.1532 -90.1348 -90.1348 -90.1256 -90.1256 -90.1256 -90.1256 1.2370 1.2373 1.3560 1.3562 5.7101 5.7114 5.9723 5.9726 6.0054 6.0077 7.5438 7.5467 7.5568 7.5569 8.0834 8.1145 8.2094 8.2340 8.2557 8.2590 11.4946 11.4947 11.5519 11.5521 12.9223 12.9224 k = 0.4924 0.2843 0.2289 ( 4273 PWs) bands (ev): -91.3403 -91.3403 -90.1532 -90.1532 -90.1348 -90.1348 -90.1256 -90.1256 -90.1256 -90.1256 1.2400 1.2405 1.3594 1.3599 5.6630 5.6648 5.9764 5.9770 6.0311 6.0351 7.5403 7.5461 7.5553 7.5558 8.0635 8.1165 8.2037 8.2356 8.2632 8.2782 11.5011 11.5012 11.5581 11.5585 12.9301 12.9304 k = 0.4886 0.2821 0.2412 ( 4273 PWs) bands (ev): -91.3403 -91.3403 -90.1531 -90.1531 -90.1349 -90.1349 -90.1256 -90.1256 -90.1256 -90.1256 1.2450 1.2458 1.3652 1.3659 5.6004 5.6024 5.9756 5.9760 6.0670 6.0717 7.5354 7.5432 7.5543 7.5548 8.0443 8.1076 8.2062 8.2344 8.2747 8.3013 11.5116 11.5118 11.5681 11.5687 12.9432 12.9436 k = 0.4848 0.2799 0.2536 ( 4271 PWs) bands (ev): -91.3403 -91.3403 -90.1531 -90.1531 -90.1349 -90.1349 -90.1256 -90.1256 -90.1256 -90.1256 1.2521 1.2532 1.3734 1.3744 5.5290 5.5310 5.9724 5.9726 6.1029 6.1081 7.5295 7.5382 7.5545 7.5545 8.0271 8.0936 8.2115 8.2328 8.2898 8.3246 11.5257 11.5261 11.5816 11.5823 12.9615 12.9620 k = 0.4811 0.2777 0.2660 ( 4269 PWs) bands (ev): -91.3403 -91.3403 -90.1530 -90.1530 -90.1350 -90.1350 -90.1256 -90.1256 -90.1256 -90.1256 1.2612 1.2625 1.3839 1.3852 5.4517 5.4536 5.9677 5.9677 6.1340 6.1396 7.5241 7.5329 7.5547 7.5554 8.0126 8.0788 8.2163 8.2312 8.3073 8.3469 11.5429 11.5433 11.5977 11.5989 12.9849 12.9856 k = 0.4773 0.2756 0.2784 ( 4265 PWs) bands (ev): -91.3403 -91.3403 -90.1529 -90.1529 -90.1351 -90.1351 -90.1256 -90.1256 -90.1256 -90.1256 1.2723 1.2739 1.3970 1.3984 5.3701 5.3719 5.9616 5.9617 6.1580 6.1640 7.5205 7.5289 7.5555 7.5567 8.0011 8.0651 8.2197 8.2295 8.3256 8.3675 11.5624 11.5625 11.6159 11.6180 13.0132 13.0139 k = 0.4735 0.2734 0.2907 ( 4263 PWs) bands (ev): -91.3403 -91.3403 -90.1528 -90.1528 -90.1352 -90.1352 -90.1256 -90.1256 -90.1256 -90.1256 1.2854 1.2872 1.4124 1.4141 5.2849 5.2865 5.9543 5.9546 6.1735 6.1798 7.5198 7.5277 7.5570 7.5583 7.9928 8.0533 8.2221 8.2278 8.3437 8.3861 11.5821 11.5829 11.6359 11.6396 13.0457 13.0463 k = 0.4697 0.2712 0.3031 ( 4259 PWs) bands (ev): -91.3403 -91.3403 -90.1527 -90.1527 -90.1353 -90.1353 -90.1256 -90.1256 -90.1256 -90.1256 1.3005 1.3024 1.4303 1.4322 5.1966 5.1981 5.9460 5.9464 6.1796 6.1861 7.5231 7.5304 7.5593 7.5603 7.9875 8.0438 8.2236 8.2260 8.3608 8.4026 11.5996 11.6019 11.6587 11.6645 13.0813 13.0819 k = 0.4659 0.2690 0.3155 ( 4266 PWs) bands (ev): -91.3403 -91.3403 -90.1526 -90.1526 -90.1354 -90.1354 -90.1256 -90.1256 -90.1256 -90.1256 1.3174 1.3196 1.4507 1.4528 5.1056 5.1069 5.9368 5.9372 6.1762 6.1828 7.5301 7.5376 7.5627 7.5631 7.9851 8.0367 8.2240 8.2243 8.3766 8.4170 11.6125 11.6163 11.6857 11.6938 13.1187 13.1190 k = 0.4621 0.2668 0.3278 ( 4268 PWs) bands (ev): -91.3403 -91.3403 -90.1524 -90.1524 -90.1356 -90.1356 -90.1256 -90.1256 -90.1256 -90.1256 1.3362 1.3386 1.4736 1.4758 5.0120 5.0132 5.9266 5.9272 6.1635 6.1702 7.5397 7.5492 7.5660 7.5699 7.9857 8.0319 8.2218 8.2244 8.3909 8.4292 11.6189 11.6236 11.7180 11.7279 13.1556 13.1557 k = 0.4583 0.2646 0.3402 ( 4266 PWs) bands (ev): -91.3403 -91.3403 -90.1523 -90.1523 -90.1357 -90.1357 -90.1256 -90.1256 -90.1256 -90.1256 1.3569 1.3594 1.4989 1.5014 4.9161 4.9171 5.9157 5.9163 6.1423 6.1490 7.5488 7.5619 7.5726 7.5821 7.9893 8.0295 8.2194 8.2239 8.4038 8.4395 11.6179 11.6230 11.7553 11.7664 13.1894 13.1901 k = 0.4545 0.2624 0.3526 ( 4274 PWs) bands (ev): -91.3403 -91.3403 -90.1521 -90.1521 -90.1359 -90.1359 -90.1256 -90.1256 -90.1256 -90.1256 1.3794 1.3821 1.5268 1.5294 4.8179 4.8188 5.9040 5.9047 6.1138 6.1203 7.5556 7.5687 7.5891 7.6008 7.9958 8.0293 8.2167 8.2229 8.4155 8.4480 11.6090 11.6140 11.7969 11.8090 13.2183 13.2195 k = 0.4508 0.2602 0.3649 ( 4267 PWs) bands (ev): -91.3403 -91.3403 -90.1519 -90.1519 -90.1361 -90.1361 -90.1256 -90.1256 -90.1256 -90.1256 1.4037 1.4065 1.5572 1.5599 4.7177 4.7184 5.8915 5.8923 6.0790 6.0853 7.5610 7.5731 7.6105 7.6239 8.0054 8.0315 8.2137 8.2213 8.4263 8.4551 11.5916 11.5964 11.8423 11.8552 13.2406 13.2425 k = 0.4470 0.2581 0.3773 ( 4271 PWs) bands (ev): -91.3403 -91.3403 -90.1517 -90.1517 -90.1363 -90.1363 -90.1256 -90.1256 -90.1256 -90.1256 1.4297 1.4327 1.5902 1.5930 4.6156 4.6162 5.8785 5.8793 6.0393 6.0454 7.5660 7.5776 7.6331 7.6491 8.0181 8.0358 8.2103 8.2191 8.4365 8.4610 11.5659 11.5703 11.8911 11.9047 13.2565 13.2590 k = 0.4432 0.2559 0.3897 ( 4275 PWs) bands (ev): -91.3403 -91.3403 -90.1515 -90.1515 -90.1365 -90.1365 -90.1256 -90.1256 -90.1256 -90.1256 1.4575 1.4606 1.6256 1.6285 4.5116 4.5121 5.8650 5.8658 5.9959 6.0017 7.5710 7.5823 7.6554 7.6747 8.0338 8.0423 8.2065 8.2165 8.4466 8.4663 11.5318 11.5357 11.9431 11.9573 13.2669 13.2699 k = 0.4394 0.2537 0.4021 ( 4265 PWs) bands (ev): -91.3403 -91.3403 -90.1513 -90.1513 -90.1367 -90.1367 -90.1256 -90.1256 -90.1256 -90.1256 1.4871 1.4902 1.6635 1.6664 4.4061 4.4064 5.8510 5.8518 5.9499 5.9555 7.5764 7.5875 7.6761 7.6992 8.0506 8.0521 8.2023 8.2133 8.4572 8.4714 11.4897 11.4930 11.9981 12.0127 13.2738 13.2773 k = 0.4356 0.2515 0.4144 ( 4265 PWs) bands (ev): -91.3403 -91.3403 -90.1511 -90.1511 -90.1369 -90.1369 -90.1256 -90.1256 -90.1256 -90.1256 1.5183 1.5215 1.7038 1.7069 4.2991 4.2993 5.8366 5.8373 5.9023 5.9076 7.5822 7.5932 7.6946 7.7216 8.0602 8.0721 8.1978 8.2096 8.4689 8.4770 11.4404 11.4429 12.0558 12.0708 13.2795 13.2833 k = 0.4318 0.2493 0.4268 ( 4263 PWs) bands (ev): -91.3403 -91.3403 -90.1508 -90.1508 -90.1372 -90.1372 -90.1256 -90.1256 -90.1256 -90.1256 1.5511 1.5544 1.7466 1.7497 4.1908 4.1909 5.8218 5.8221 5.8538 5.8592 7.5884 7.5995 7.7103 7.7411 8.0703 8.0928 8.1930 8.2054 8.4823 8.4839 11.3844 11.3862 12.1160 12.1313 13.2858 13.2898 k = 0.4280 0.2471 0.4392 ( 4259 PWs) bands (ev): -91.3403 -91.3403 -90.1506 -90.1506 -90.1374 -90.1374 -90.1256 -90.1256 -90.1256 -90.1256 1.5857 1.5890 1.7918 1.7948 4.0815 4.0815 5.8028 5.8029 5.8090 5.8145 7.5951 7.6062 7.7232 7.7573 8.0800 8.1124 8.1882 8.2008 8.4929 8.4981 11.3230 11.3239 12.1784 12.1941 13.2942 13.2984 k = 0.4242 0.2449 0.4515 ( 4261 PWs) bands (ev): -91.3403 -91.3403 -90.1503 -90.1503 -90.1377 -90.1377 -90.1256 -90.1256 -90.1256 -90.1256 1.6218 1.6251 1.8393 1.8423 3.9712 3.9714 5.7562 5.7594 5.7922 5.7941 7.6024 7.6135 7.7334 7.7703 8.0882 8.1289 8.1838 8.1958 8.5048 8.5167 11.2569 11.2569 12.2430 12.2589 13.3056 13.3099 k = 0.4205 0.2427 0.4639 ( 4260 PWs) bands (ev): -91.3403 -91.3403 -90.1500 -90.1500 -90.1380 -90.1380 -90.1256 -90.1256 -90.1256 -90.1256 1.6595 1.6629 1.8891 1.8921 3.8603 3.8606 5.7086 5.7120 5.7770 5.7785 7.6103 7.6214 7.7409 7.7800 8.0942 8.1399 8.1811 8.1904 8.5203 8.5382 11.1864 11.1874 12.3094 12.3254 13.3205 13.3249 k = 0.4167 0.2406 0.4763 ( 4258 PWs) bands (ev): -91.3403 -91.3403 -90.1497 -90.1497 -90.1383 -90.1383 -90.1256 -90.1256 -90.1256 -90.1256 1.6988 1.7021 1.9410 1.9440 3.7490 3.7495 5.6621 5.6654 5.7618 5.7631 7.6186 7.6298 7.7460 7.7868 8.0974 8.1435 8.1808 8.1845 8.5397 8.5625 11.1134 11.1154 12.3775 12.3935 13.3393 13.3438 k = 0.4129 0.2384 0.4887 ( 4260 PWs) bands (ev): -91.3403 -91.3403 -90.1495 -90.1495 -90.1386 -90.1386 -90.1256 -90.1256 -90.1256 -90.1256 1.7395 1.7429 1.9950 1.9979 3.6377 3.6383 5.6170 5.6202 5.7467 5.7479 7.6275 7.6388 7.7488 7.7906 8.0978 8.1407 8.1781 8.1819 8.5625 8.5892 11.0390 11.0421 12.4468 12.4630 13.3621 13.3667 k = 0.4091 0.2362 0.5010 ( 4260 PWs) bands (ev): -91.3403 -91.3403 -90.1492 -90.1492 -90.1388 -90.1388 -90.1256 -90.1256 -90.1256 -90.1256 1.7816 1.7850 2.0509 2.0537 3.5266 3.5275 5.5736 5.5765 5.7316 5.7328 7.6370 7.6482 7.7494 7.7917 8.0955 8.1343 8.1711 8.1816 8.5881 8.6175 10.9641 10.9683 12.5173 12.5334 13.3887 13.3934 k = 0.4053 0.2340 0.5134 ( 4258 PWs) bands (ev): -91.3403 -91.3403 -90.1489 -90.1489 -90.1391 -90.1391 -90.1256 -90.1256 -90.1256 -90.1256 1.8251 1.8284 2.1086 2.1113 3.4163 3.4173 5.5320 5.5348 5.7168 5.7180 7.6469 7.6580 7.7479 7.7901 8.0911 8.1258 8.1634 8.1791 8.6155 8.6467 10.8897 10.8949 12.5886 12.6046 13.4191 13.4239 k = 0.4015 0.2318 0.5258 ( 4254 PWs) bands (ev): -91.3403 -91.3403 -90.1486 -90.1486 -90.1394 -90.1394 -90.1256 -90.1256 -90.1256 -90.1256 1.8696 1.8729 2.1677 2.1702 3.3073 3.3085 5.4924 5.4950 5.7023 5.7033 7.6573 7.6682 7.7443 7.7855 8.0850 8.1162 8.1551 8.1743 8.6436 8.6758 10.8166 10.8228 12.6605 12.6763 13.4532 13.4580 k = 0.3977 0.2296 0.5381 ( 4255 PWs) bands (ev): -91.3403 -91.3403 -90.1483 -90.1483 -90.1397 -90.1397 -90.1256 -90.1256 -90.1256 -90.1256 1.9151 1.9184 2.2279 2.2300 3.2002 3.2018 5.4549 5.4573 5.6880 5.6890 7.6682 7.6782 7.7387 7.7779 8.0779 8.1056 8.1463 8.1678 8.6714 8.7042 10.7455 10.7528 12.7326 12.7482 13.4906 13.4955 k = 0.3939 0.2274 0.5505 ( 4257 PWs) bands (ev): -91.3403 -91.3403 -90.1480 -90.1480 -90.1400 -90.1400 -90.1256 -90.1256 -90.1256 -90.1256 1.9611 1.9643 2.2882 2.2899 3.0964 3.0985 5.4195 5.4218 5.6740 5.6750 7.6795 7.6872 7.7320 7.7670 8.0703 8.0943 8.1371 8.1601 8.6980 8.7310 10.6773 10.6855 12.8046 12.8200 13.5313 13.5362 k = 0.3902 0.2253 0.5629 ( 4258 PWs) bands (ev): -91.3403 -91.3403 -90.1477 -90.1477 -90.1403 -90.1403 -90.1256 -90.1256 -90.1256 -90.1256 2.0071 2.0102 2.3473 2.3484 2.9980 3.0007 5.3865 5.3885 5.6605 5.6613 7.6912 7.6915 7.7274 7.7526 8.0624 8.0824 8.1278 8.1519 8.7225 8.7556 10.6124 10.6216 12.8763 12.8914 13.5749 13.5800 k = 0.3864 0.2231 0.5753 ( 4256 PWs) bands (ev): -91.3403 -91.3403 -90.1474 -90.1474 -90.1406 -90.1406 -90.1256 -90.1256 -90.1256 -90.1256 2.0518 2.0548 2.4024 2.4025 2.9090 2.9126 5.3557 5.3576 5.6474 5.6482 7.6854 7.7032 7.7305 7.7345 8.0545 8.0701 8.1187 8.1438 8.7444 8.7774 10.5516 10.5615 12.9474 12.9621 13.6212 13.6264 k = 0.3826 0.2209 0.5876 ( 4250 PWs) bands (ev): -91.3403 -91.3403 -90.1472 -90.1472 -90.1408 -90.1408 -90.1256 -90.1256 -90.1256 -90.1256 2.0933 2.0961 2.4460 2.4474 2.8375 2.8426 5.3274 5.3292 5.6348 5.6355 7.6698 7.7116 7.7164 7.7400 8.0468 8.0573 8.1101 8.1361 8.7631 8.7960 10.4953 10.5059 13.0175 13.0318 13.6700 13.6753 k = 0.3788 0.2187 0.6000 ( 4248 PWs) bands (ev): -91.3403 -91.3403 -90.1470 -90.1470 -90.1410 -90.1410 -90.1256 -90.1256 -90.1256 -90.1256 2.1271 2.1297 2.4692 2.4725 2.7979 2.8046 5.3016 5.3031 5.6227 5.6233 7.6485 7.6866 7.7281 7.7522 8.0392 8.0443 8.1025 8.1293 8.7783 8.8110 10.4438 10.4549 13.0863 13.1002 13.7211 13.7265 k = 0.3750 0.2165 0.6124 ( 4246 PWs) bands (ev): -91.3403 -91.3403 -90.1468 -90.1468 -90.1412 -90.1412 -90.1256 -90.1256 -90.1256 -90.1256 2.1447 2.1469 2.4701 2.4746 2.8016 2.8093 5.2782 5.2796 5.6112 5.6117 7.6227 7.6572 7.7406 7.7655 8.0310 8.0314 8.0962 8.1237 8.7897 8.8222 10.3974 10.4090 13.1537 13.1672 13.7741 13.7797 k = 0.6250-0.0722 0.4082 ( 4246 PWs) bands (ev): -91.3403 -91.3403 -90.1468 -90.1468 -90.1412 -90.1412 -90.1256 -90.1256 -90.1256 -90.1256 2.1447 2.1469 2.4701 2.4746 2.8016 2.8093 5.2782 5.2796 5.6112 5.6117 7.6227 7.6572 7.7406 7.7655 8.0310 8.0314 8.0962 8.1237 8.7897 8.8222 10.3974 10.4090 13.1537 13.1672 13.7741 13.7797 k = 0.6184-0.0836 0.4082 ( 4246 PWs) bands (ev): -91.3403 -91.3403 -90.1465 -90.1465 -90.1415 -90.1415 -90.1256 -90.1256 -90.1256 -90.1256 2.1446 2.1461 2.4613 2.4663 2.8569 2.8645 5.2410 5.2422 5.5920 5.5923 7.5695 7.5985 7.7613 7.7890 8.0085 8.0174 8.0882 8.1152 8.8048 8.8367 10.3260 10.3381 13.2703 13.2829 13.8699 13.8757 k = 0.6118-0.0950 0.4082 ( 4248 PWs) bands (ev): -91.3403 -91.3403 -90.1463 -90.1463 -90.1417 -90.1417 -90.1256 -90.1256 -90.1256 -90.1256 2.1310 2.1319 2.4491 2.4540 2.9344 2.9415 5.2063 5.2072 5.5735 5.5737 7.5069 7.5311 7.7799 7.8113 7.9879 8.0034 8.0824 8.1070 8.8172 8.8483 10.2637 10.2761 13.3888 13.4006 13.9701 13.9761 k = 0.6053-0.1064 0.4082 ( 4248 PWs) bands (ev): -91.3403 -91.3403 -90.1461 -90.1461 -90.1419 -90.1419 -90.1256 -90.1256 -90.1256 -90.1256 2.1100 2.1106 2.4335 2.4379 3.0276 3.0340 5.1743 5.1749 5.5556 5.5557 7.4349 7.4550 7.7962 7.8319 7.9696 7.9909 8.0781 8.0992 8.8271 8.8572 10.2105 10.2231 13.5092 13.5201 14.0745 14.0807 k = 0.5987-0.1177 0.4082 ( 4246 PWs) bands (ev): -91.3403 -91.3403 -90.1459 -90.1459 -90.1421 -90.1421 -90.1256 -90.1256 -90.1256 -90.1256 2.0855 2.0859 2.4158 2.4197 3.1307 3.1365 5.1451 5.1455 5.5386 5.5386 7.3538 7.3704 7.8097 7.8499 7.9541 7.9806 8.0747 8.0919 8.8346 8.8634 10.1661 10.1787 13.6313 13.6413 14.1830 14.1894 k = 0.5921-0.1291 0.4082 ( 4252 PWs) bands (ev): -91.3403 -91.3403 -90.1457 -90.1457 -90.1423 -90.1423 -90.1256 -90.1256 -90.1256 -90.1256 2.0598 2.0600 2.3971 2.4005 3.2400 3.2454 5.1190 5.1191 5.5223 5.5223 7.2640 7.2777 7.8199 7.8638 7.9430 7.9732 8.0720 8.0853 8.8402 8.8675 10.1298 10.1423 13.7549 13.7641 14.2954 14.3019 k = 0.5855-0.1405 0.4082 ( 4246 PWs) bands (ev): -91.3403 -91.3403 -90.1455 -90.1455 -90.1425 -90.1425 -90.1256 -90.1256 -90.1256 -90.1256 2.0340 2.0342 2.3785 2.3814 3.3530 3.3581 5.0962 5.0964 5.5068 5.5070 7.1662 7.1775 7.8265 7.8710 7.9387 7.9692 8.0699 8.0793 8.8442 8.8698 10.1009 10.1130 13.8799 13.8883 14.4115 14.4182 k = 0.5789-0.1519 0.4082 ( 4250 PWs) bands (ev): -91.3403 -91.3403 -90.1454 -90.1453 -90.1427 -90.1427 -90.1256 -90.1256 -90.1256 -90.1256 2.0091 2.0092 2.3603 2.3629 3.4680 3.4729 5.0771 5.0775 5.4924 5.4925 7.0613 7.0706 7.8295 7.8702 7.9423 7.9683 8.0683 8.0740 8.8470 8.8707 10.0784 10.0899 14.0061 14.0136 14.5311 14.5378 k = 0.5724-0.1633 0.4082 ( 4244 PWs) bands (ev): -91.3403 -91.3403 -90.1452 -90.1452 -90.1428 -90.1428 -90.1256 -90.1256 -90.1256 -90.1256 1.9853 1.9855 2.3430 2.3452 3.5835 3.5881 5.0624 5.0630 5.4789 5.4791 6.9501 6.9578 7.8296 7.8640 7.9512 7.9702 8.0673 8.0695 8.8488 8.8705 10.0613 10.0722 14.1331 14.1399 14.6537 14.6605 k = 0.5658-0.1747 0.4082 ( 4242 PWs) bands (ev): -91.3403 -91.3403 -90.1451 -90.1451 -90.1429 -90.1429 -90.1256 -90.1256 -90.1256 -90.1256 1.9631 1.9632 2.3268 2.3287 3.6981 3.7025 5.0528 5.0537 5.4665 5.4667 6.8337 6.8400 7.8275 7.8556 7.9619 7.9739 8.0658 8.0667 8.8500 8.8697 10.0488 10.0588 14.2608 14.2667 14.7790 14.7858 k = 0.5592-0.1861 0.4082 ( 4246 PWs) bands (ev): -91.3403 -91.3403 -90.1450 -90.1450 -90.1430 -90.1430 -90.1256 -90.1256 -90.1256 -90.1256 1.9427 1.9428 2.3118 2.3135 3.8101 3.8144 5.0492 5.0503 5.4551 5.4553 6.7130 6.7183 7.8241 7.8469 7.9726 7.9785 8.0628 8.0666 8.8507 8.8683 10.0398 10.0490 14.3886 14.3937 14.9063 14.9131 k = 0.5526-0.1975 0.4082 ( 4250 PWs) bands (ev): -91.3403 -91.3403 -90.1449 -90.1449 -90.1431 -90.1431 -90.1256 -90.1256 -90.1256 -90.1256 1.9242 1.9243 2.2983 2.2998 3.9178 3.9220 5.0529 5.0543 5.4449 5.4451 6.5891 6.5934 7.8201 7.8385 7.9822 7.9834 8.0608 8.0670 8.8512 8.8668 10.0337 10.0419 14.5160 14.5203 15.0349 15.0417 k = 0.5461-0.2089 0.4082 ( 4250 PWs) bands (ev): -91.3403 -91.3403 -90.1449 -90.1449 -90.1431 -90.1431 -90.1256 -90.1256 -90.1256 -90.1256 1.9077 1.9077 2.2862 2.2875 4.0191 4.0231 5.0656 5.0672 5.4358 5.4360 6.4629 6.4666 7.8160 7.8308 7.9881 7.9905 8.0597 8.0676 8.8516 8.8651 10.0298 10.0370 14.6424 14.6458 15.1639 15.1704 k = 0.5395-0.2203 0.4082 ( 4254 PWs) bands (ev): -91.3403 -91.3403 -90.1448 -90.1448 -90.1432 -90.1432 -90.1256 -90.1256 -90.1256 -90.1256 1.8932 1.8933 2.2757 2.2767 4.1114 4.1151 5.0891 5.0907 5.4279 5.4280 6.3358 6.3388 7.8121 7.8240 7.9923 7.9970 8.0596 8.0684 8.8519 8.8633 10.0275 10.0337 14.7667 14.7693 15.2916 15.2979 k = 0.5329-0.2317 0.4082 ( 4244 PWs) bands (ev): -91.3403 -91.3403 -90.1448 -90.1448 -90.1432 -90.1432 -90.1256 -90.1256 -90.1256 -90.1256 1.8809 1.8810 2.2667 2.2676 4.1921 4.1955 5.1251 5.1267 5.4212 5.4213 6.2089 6.2114 7.8087 7.8180 7.9961 8.0018 8.0605 8.0693 8.8522 8.8617 10.0263 10.0315 14.8876 14.8894 15.4161 15.4220 k = 0.5263-0.2431 0.4082 ( 4240 PWs) bands (ev): -91.3403 -91.3403 -90.1448 -90.1448 -90.1432 -90.1432 -90.1256 -90.1256 -90.1256 -90.1256 1.8708 1.8709 2.2594 2.2600 4.2591 4.2620 5.1745 5.1759 5.4157 5.4158 6.0839 6.0859 7.8059 7.8130 7.9992 8.0049 8.0620 8.0700 8.8526 8.8602 10.0259 10.0301 15.0029 15.0040 15.5341 15.5394 k = 0.5197-0.2545 0.4082 ( 4240 PWs) bands (ev): -91.3403 -91.3403 -90.1448 -90.1448 -90.1432 -90.1432 -90.1256 -90.1256 -90.1256 -90.1256 1.8629 1.8629 2.2536 2.2541 4.3108 4.3131 5.2365 5.2376 5.4115 5.4115 5.9633 5.9649 7.8038 7.8090 8.0018 8.0067 8.0640 8.0705 8.8531 8.8587 10.0260 10.0291 15.1092 15.1096 15.6409 15.6454 k = 0.5132-0.2659 0.4082 ( 4252 PWs) bands (ev): -91.3403 -91.3403 -90.1448 -90.1448 -90.1432 -90.1432 -90.1256 -90.1256 -90.1256 -90.1256 1.8573 1.8573 2.2496 2.2499 4.3472 4.3487 5.3064 5.3072 5.4088 5.4089 5.8519 5.8530 7.8025 7.8058 8.0039 8.0075 8.0661 8.0706 8.8537 8.8574 10.0264 10.0284 15.2002 15.2003 15.7292 15.7326 k = 0.5066-0.2773 0.4082 ( 4264 PWs) bands (ev): -91.3403 -91.3403 -90.1448 -90.1448 -90.1432 -90.1432 -90.1256 -90.1256 -90.1256 -90.1256 1.8539 1.8539 2.2471 2.2473 4.3686 4.3694 5.3707 5.3712 5.4091 5.4093 5.7614 5.7620 7.8020 7.8036 8.0055 8.0074 8.0679 8.0702 8.8544 8.8563 10.0268 10.0279 15.2654 15.2656 15.7895 15.7913 k = 0.5000-0.2887 0.4082 ( 4264 PWs) bands (ev): -91.3403 -91.3403 -90.1448 -90.1448 -90.1432 -90.1432 -90.1256 -90.1256 -90.1256 -90.1256 1.8527 1.8527 2.2464 2.2464 4.3760 4.3760 5.3946 5.3946 5.4166 5.4166 5.7221 5.7221 7.8023 7.8023 8.0067 8.0067 8.0693 8.0693 8.8553 8.8553 10.0273 10.0273 15.2900 15.2900 15.8108 15.8108 Writing output data file Be5Fe.save init_run : 0.84s CPU 0.54s WALL ( 1 calls) electrons : 270.47s CPU 165.40s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.01s WALL ( 1 calls) potinit : 0.14s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 270.47s CPU 165.39s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.01s WALL ( 1 calls) newd : 0.20s CPU 0.13s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.31s CPU 0.41s WALL ( 356 calls) cegterg : 228.99s CPU 140.81s WALL ( 486 calls) Called by sum_band: Called by *egterg: h_psi : 169.88s CPU 96.79s WALL ( 8069 calls) s_psi : 6.02s CPU 3.36s WALL ( 8069 calls) g_psi : 0.37s CPU 0.19s WALL ( 7227 calls) cdiaghg : 65.46s CPU 45.50s WALL ( 7583 calls) cegterg:over : 7.95s CPU 4.81s WALL ( 7227 calls) cegterg:upda : 6.69s CPU 4.42s WALL ( 7227 calls) cegterg:last : 3.16s CPU 1.89s WALL ( 1238 calls) cdiaghg:chol : 3.74s CPU 2.58s WALL ( 7583 calls) cdiaghg:inve : 1.75s CPU 1.27s WALL ( 7583 calls) cdiaghg:para : 3.48s CPU 2.51s WALL ( 15166 calls) Called by h_psi: h_psi:vloc : 153.89s CPU 87.42s WALL ( 8069 calls) h_psi:vnl : 15.73s CPU 9.18s WALL ( 8069 calls) add_vuspsi : 8.17s CPU 4.77s WALL ( 8069 calls) General routines calbec : 7.50s CPU 4.38s WALL ( 8069 calls) fft : 0.05s CPU 0.03s WALL ( 19 calls) ffts : 0.02s CPU 0.01s WALL ( 4 calls) fftw : 139.04s CPU 78.73s WALL ( 622524 calls) interpolate : 0.02s CPU 0.02s WALL ( 4 calls) davcio : 0.38s CPU 0.64s WALL ( 712 calls) Parallel routines fft_scatter : 59.05s CPU 34.53s WALL ( 622547 calls) PWSCF : 4m43.75s CPU 3m 9.56s WALL This run was terminated on: 14:59:10 11Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=