Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:57:54 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./PbF2.save/ file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized file Pb.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 38 23 7 929 460 75 Max 39 24 8 933 478 79 Sum 1369 859 253 33487 16865 2733 bravais-lattice index = 14 lattice parameter (alat) = 7.9203 a.u. unit-cell volume = 351.3271 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 28.00 number of Kohn-Sham states= 36 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 317.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.920311 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 F read from file: /users/gautes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1105 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Pb read from file: /users/gautes/Pseudo/Pb.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 75f9fe62f948a5acf869e43db2c29526 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1281 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential F 7.00 18.99840 F( 1.00) Pb 14.00 207.20000 Pb( 1.00) 12 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( 1 -1 0 ) ( 1 0 -1 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 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 = 6 180 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 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 1 -1 0 ) ( 1 0 0 ) ( 1 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) ( -1 1 0 ) ( 0 1 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 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 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 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -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 -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 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 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 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 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 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 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 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 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 355 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028169 k( 2) = ( 0.0092593 -0.0053458 0.0075602), wk = 0.0028169 k( 3) = ( 0.0185185 -0.0106917 0.0151203), wk = 0.0028169 k( 4) = ( 0.0277778 -0.0160375 0.0226805), wk = 0.0028169 k( 5) = ( 0.0370370 -0.0213833 0.0302406), wk = 0.0028169 k( 6) = ( 0.0462963 -0.0267292 0.0378008), wk = 0.0028169 k( 7) = ( 0.0555556 -0.0320750 0.0453609), wk = 0.0028169 k( 8) = ( 0.0648148 -0.0374208 0.0529211), wk = 0.0028169 k( 9) = ( 0.0740741 -0.0427667 0.0604812), wk = 0.0028169 k( 10) = ( 0.0833333 -0.0481125 0.0680414), wk = 0.0028169 k( 11) = ( 0.0925926 -0.0534584 0.0756015), wk = 0.0028169 k( 12) = ( 0.1018518 -0.0588042 0.0831617), wk = 0.0028169 k( 13) = ( 0.1111111 -0.0641500 0.0907218), wk = 0.0028169 k( 14) = ( 0.1203704 -0.0694959 0.0982820), wk = 0.0028169 k( 15) = ( 0.1296296 -0.0748417 0.1058421), wk = 0.0028169 k( 16) = ( 0.1388889 -0.0801875 0.1134023), wk = 0.0028169 k( 17) = ( 0.1481482 -0.0855334 0.1209625), wk = 0.0028169 k( 18) = ( 0.1574074 -0.0908792 0.1285226), wk = 0.0028169 k( 19) = ( 0.1666667 -0.0962250 0.1360828), wk = 0.0028169 k( 20) = ( 0.1759259 -0.1015709 0.1436429), wk = 0.0028169 k( 21) = ( 0.1851852 -0.1069167 0.1512031), wk = 0.0028169 k( 22) = ( 0.1944444 -0.1122625 0.1587632), wk = 0.0028169 k( 23) = ( 0.2037037 -0.1176084 0.1663234), wk = 0.0028169 k( 24) = ( 0.2129630 -0.1229542 0.1738835), wk = 0.0028169 k( 25) = ( 0.2222222 -0.1283001 0.1814437), wk = 0.0028169 k( 26) = ( 0.2314815 -0.1336459 0.1890038), wk = 0.0028169 k( 27) = ( 0.2407407 -0.1389917 0.1965640), wk = 0.0028169 k( 28) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0028169 k( 29) = ( 0.2592593 -0.1496834 0.2116843), wk = 0.0028169 k( 30) = ( 0.2685185 -0.1550292 0.2192445), wk = 0.0028169 k( 31) = ( 0.2777778 -0.1603751 0.2268046), wk = 0.0028169 k( 32) = ( 0.2870370 -0.1657209 0.2343648), wk = 0.0028169 k( 33) = ( 0.2962963 -0.1710667 0.2419249), wk = 0.0028169 k( 34) = ( 0.3055556 -0.1764126 0.2494851), wk = 0.0028169 k( 35) = ( 0.3148148 -0.1817584 0.2570452), wk = 0.0028169 k( 36) = ( 0.3240741 -0.1871043 0.2646054), wk = 0.0028169 k( 37) = ( 0.3333333 -0.1924501 0.2721655), wk = 0.0028169 k( 38) = ( 0.3425926 -0.1977959 0.2797257), wk = 0.0028169 k( 39) = ( 0.3518519 -0.2031418 0.2872858), wk = 0.0028169 k( 40) = ( 0.3611111 -0.2084876 0.2948460), wk = 0.0028169 k( 41) = ( 0.3703704 -0.2138334 0.3024061), wk = 0.0028169 k( 42) = ( 0.3796296 -0.2191793 0.3099663), wk = 0.0028169 k( 43) = ( 0.3888889 -0.2245251 0.3175264), wk = 0.0028169 k( 44) = ( 0.3981481 -0.2298709 0.3250866), wk = 0.0028169 k( 45) = ( 0.4074074 -0.2352168 0.3326468), wk = 0.0028169 k( 46) = ( 0.4166667 -0.2405626 0.3402069), wk = 0.0028169 k( 47) = ( 0.4259259 -0.2459085 0.3477671), wk = 0.0028169 k( 48) = ( 0.4351852 -0.2512543 0.3553272), wk = 0.0028169 k( 49) = ( 0.4444444 -0.2566001 0.3628874), wk = 0.0028169 k( 50) = ( 0.4537037 -0.2619460 0.3704475), wk = 0.0028169 k( 51) = ( 0.4629630 -0.2672918 0.3780077), wk = 0.0028169 k( 52) = ( 0.4722222 -0.2726376 0.3855678), wk = 0.0028169 k( 53) = ( 0.4814815 -0.2779835 0.3931280), wk = 0.0028169 k( 54) = ( 0.4907407 -0.2833293 0.4006881), wk = 0.0028169 k( 55) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0028169 k( 56) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0028169 k( 57) = ( 0.5000000 -0.2779835 0.4158084), wk = 0.0028169 k( 58) = ( 0.5000000 -0.2672918 0.4233686), wk = 0.0028169 k( 59) = ( 0.5000000 -0.2566001 0.4309288), wk = 0.0028169 k( 60) = ( 0.5000000 -0.2459084 0.4384889), wk = 0.0028169 k( 61) = ( 0.5000000 -0.2352168 0.4460491), wk = 0.0028169 k( 62) = ( 0.5000000 -0.2245251 0.4536092), wk = 0.0028169 k( 63) = ( 0.5000000 -0.2138334 0.4611694), wk = 0.0028169 k( 64) = ( 0.5000000 -0.2031418 0.4687295), wk = 0.0028169 k( 65) = ( 0.5000000 -0.1924501 0.4762897), wk = 0.0028169 k( 66) = ( 0.5000000 -0.1817584 0.4838498), wk = 0.0028169 k( 67) = ( 0.5000000 -0.1710667 0.4914100), wk = 0.0028169 k( 68) = ( 0.5000000 -0.1603751 0.4989701), wk = 0.0028169 k( 69) = ( 0.5000000 -0.1496834 0.5065303), wk = 0.0028169 k( 70) = ( 0.5000000 -0.1389917 0.5140904), wk = 0.0028169 k( 71) = ( 0.5000000 -0.1283001 0.5216506), wk = 0.0028169 k( 72) = ( 0.5000000 -0.1176084 0.5292107), wk = 0.0028169 k( 73) = ( 0.5000000 -0.1069167 0.5367709), wk = 0.0028169 k( 74) = ( 0.5000000 -0.0962250 0.5443311), wk = 0.0028169 k( 75) = ( 0.5000000 -0.0855334 0.5518912), wk = 0.0028169 k( 76) = ( 0.5000000 -0.0748417 0.5594514), wk = 0.0028169 k( 77) = ( 0.5000000 -0.0641500 0.5670115), wk = 0.0028169 k( 78) = ( 0.5000000 -0.0534584 0.5745717), wk = 0.0028169 k( 79) = ( 0.5000000 -0.0427667 0.5821318), wk = 0.0028169 k( 80) = ( 0.5000000 -0.0320750 0.5896920), wk = 0.0028169 k( 81) = ( 0.5000000 -0.0213833 0.5972521), wk = 0.0028169 k( 82) = ( 0.5000000 -0.0106917 0.6048123), wk = 0.0028169 k( 83) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0028169 k( 84) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0028169 k( 85) = ( 0.4934211 0.0113951 0.6123724), wk = 0.0028169 k( 86) = ( 0.4868421 0.0227901 0.6123724), wk = 0.0028169 k( 87) = ( 0.4802632 0.0341852 0.6123724), wk = 0.0028169 k( 88) = ( 0.4736842 0.0455803 0.6123724), wk = 0.0028169 k( 89) = ( 0.4671053 0.0569754 0.6123724), wk = 0.0028169 k( 90) = ( 0.4605263 0.0683704 0.6123724), wk = 0.0028169 k( 91) = ( 0.4539474 0.0797655 0.6123724), wk = 0.0028169 k( 92) = ( 0.4473684 0.0911606 0.6123724), wk = 0.0028169 k( 93) = ( 0.4407895 0.1025556 0.6123724), wk = 0.0028169 k( 94) = ( 0.4342105 0.1139507 0.6123724), wk = 0.0028169 k( 95) = ( 0.4276316 0.1253458 0.6123724), wk = 0.0028169 k( 96) = ( 0.4210526 0.1367409 0.6123724), wk = 0.0028169 k( 97) = ( 0.4144737 0.1481359 0.6123724), wk = 0.0028169 k( 98) = ( 0.4078947 0.1595310 0.6123724), wk = 0.0028169 k( 99) = ( 0.4013158 0.1709261 0.6123724), wk = 0.0028169 k( 100) = ( 0.3947368 0.1823211 0.6123724), wk = 0.0028169 k( 101) = ( 0.3881579 0.1937162 0.6123724), wk = 0.0028169 k( 102) = ( 0.3815789 0.2051113 0.6123724), wk = 0.0028169 k( 103) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0028169 k( 104) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0028169 k( 105) = ( 0.3684211 0.2127080 0.6016291), wk = 0.0028169 k( 106) = ( 0.3618421 0.2089096 0.5908857), wk = 0.0028169 k( 107) = ( 0.3552632 0.2051113 0.5801423), wk = 0.0028169 k( 108) = ( 0.3486842 0.2013129 0.5693989), wk = 0.0028169 k( 109) = ( 0.3421053 0.1975146 0.5586556), wk = 0.0028169 k( 110) = ( 0.3355263 0.1937162 0.5479122), wk = 0.0028169 k( 111) = ( 0.3289474 0.1899179 0.5371688), wk = 0.0028169 k( 112) = ( 0.3223684 0.1861195 0.5264254), wk = 0.0028169 k( 113) = ( 0.3157895 0.1823211 0.5156821), wk = 0.0028169 k( 114) = ( 0.3092105 0.1785228 0.5049387), wk = 0.0028169 k( 115) = ( 0.3026316 0.1747244 0.4941953), wk = 0.0028169 k( 116) = ( 0.2960526 0.1709261 0.4834519), wk = 0.0028169 k( 117) = ( 0.2894737 0.1671277 0.4727086), wk = 0.0028169 k( 118) = ( 0.2828947 0.1633294 0.4619652), wk = 0.0028169 k( 119) = ( 0.2763158 0.1595310 0.4512218), wk = 0.0028169 k( 120) = ( 0.2697368 0.1557326 0.4404784), wk = 0.0028169 k( 121) = ( 0.2631579 0.1519343 0.4297350), wk = 0.0028169 k( 122) = ( 0.2565789 0.1481359 0.4189917), wk = 0.0028169 k( 123) = ( 0.2500000 0.1443376 0.4082483), wk = 0.0028169 k( 124) = ( 0.2434210 0.1405392 0.3975049), wk = 0.0028169 k( 125) = ( 0.2368421 0.1367409 0.3867615), wk = 0.0028169 k( 126) = ( 0.2302632 0.1329425 0.3760182), wk = 0.0028169 k( 127) = ( 0.2236842 0.1291441 0.3652748), wk = 0.0028169 k( 128) = ( 0.2171053 0.1253458 0.3545314), wk = 0.0028169 k( 129) = ( 0.2105263 0.1215474 0.3437880), wk = 0.0028169 k( 130) = ( 0.2039474 0.1177491 0.3330447), wk = 0.0028169 k( 131) = ( 0.1973684 0.1139507 0.3223013), wk = 0.0028169 k( 132) = ( 0.1907895 0.1101524 0.3115579), wk = 0.0028169 k( 133) = ( 0.1842105 0.1063540 0.3008145), wk = 0.0028169 k( 134) = ( 0.1776316 0.1025556 0.2900712), wk = 0.0028169 k( 135) = ( 0.1710526 0.0987573 0.2793278), wk = 0.0028169 k( 136) = ( 0.1644737 0.0949589 0.2685844), wk = 0.0028169 k( 137) = ( 0.1578947 0.0911606 0.2578410), wk = 0.0028169 k( 138) = ( 0.1513158 0.0873622 0.2470977), wk = 0.0028169 k( 139) = ( 0.1447368 0.0835639 0.2363543), wk = 0.0028169 k( 140) = ( 0.1381579 0.0797655 0.2256109), wk = 0.0028169 k( 141) = ( 0.1315790 0.0759671 0.2148675), wk = 0.0028169 k( 142) = ( 0.1250000 0.0721688 0.2041241), wk = 0.0028169 k( 143) = ( 0.1184210 0.0683704 0.1933808), wk = 0.0028169 k( 144) = ( 0.1118421 0.0645721 0.1826374), wk = 0.0028169 k( 145) = ( 0.1052632 0.0607737 0.1718940), wk = 0.0028169 k( 146) = ( 0.0986842 0.0569754 0.1611506), wk = 0.0028169 k( 147) = ( 0.0921053 0.0531770 0.1504073), wk = 0.0028169 k( 148) = ( 0.0855263 0.0493786 0.1396639), wk = 0.0028169 k( 149) = ( 0.0789474 0.0455803 0.1289205), wk = 0.0028169 k( 150) = ( 0.0723684 0.0417819 0.1181771), wk = 0.0028169 k( 151) = ( 0.0657895 0.0379836 0.1074338), wk = 0.0028169 k( 152) = ( 0.0592105 0.0341852 0.0966904), wk = 0.0028169 k( 153) = ( 0.0526316 0.0303869 0.0859470), wk = 0.0028169 k( 154) = ( 0.0460526 0.0265885 0.0752036), wk = 0.0028169 k( 155) = ( 0.0394737 0.0227901 0.0644603), wk = 0.0028169 k( 156) = ( 0.0328947 0.0189918 0.0537169), wk = 0.0028169 k( 157) = ( 0.0263158 0.0151934 0.0429735), wk = 0.0028169 k( 158) = ( 0.0197368 0.0113951 0.0322301), wk = 0.0028169 k( 159) = ( 0.0131579 0.0075967 0.0214868), wk = 0.0028169 k( 160) = ( 0.0065790 0.0037984 0.0107434), wk = 0.0028169 k( 161) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028169 k( 162) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028169 k( 163) = ( 0.0108696 0.0062755 0.0044375), wk = 0.0028169 k( 164) = ( 0.0217391 0.0125511 0.0088750), wk = 0.0028169 k( 165) = ( 0.0326087 0.0188266 0.0133124), wk = 0.0028169 k( 166) = ( 0.0434783 0.0251022 0.0177499), wk = 0.0028169 k( 167) = ( 0.0543478 0.0313777 0.0221874), wk = 0.0028169 k( 168) = ( 0.0652174 0.0376533 0.0266249), wk = 0.0028169 k( 169) = ( 0.0760870 0.0439288 0.0310624), wk = 0.0028169 k( 170) = ( 0.0869565 0.0502044 0.0354999), wk = 0.0028169 k( 171) = ( 0.0978261 0.0564799 0.0399373), wk = 0.0028169 k( 172) = ( 0.1086957 0.0627555 0.0443748), wk = 0.0028169 k( 173) = ( 0.1195652 0.0690310 0.0488123), wk = 0.0028169 k( 174) = ( 0.1304348 0.0753066 0.0532498), wk = 0.0028169 k( 175) = ( 0.1413043 0.0815821 0.0576873), wk = 0.0028169 k( 176) = ( 0.1521739 0.0878576 0.0621247), wk = 0.0028169 k( 177) = ( 0.1630435 0.0941332 0.0665622), wk = 0.0028169 k( 178) = ( 0.1739130 0.1004087 0.0709997), wk = 0.0028169 k( 179) = ( 0.1847826 0.1066843 0.0754372), wk = 0.0028169 k( 180) = ( 0.1956522 0.1129598 0.0798747), wk = 0.0028169 k( 181) = ( 0.2065217 0.1192354 0.0843121), wk = 0.0028169 k( 182) = ( 0.2173913 0.1255109 0.0887496), wk = 0.0028169 k( 183) = ( 0.2282609 0.1317865 0.0931871), wk = 0.0028169 k( 184) = ( 0.2391304 0.1380620 0.0976246), wk = 0.0028169 k( 185) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0028169 k( 186) = ( 0.2608696 0.1506131 0.1064996), wk = 0.0028169 k( 187) = ( 0.2717391 0.1568887 0.1109370), wk = 0.0028169 k( 188) = ( 0.2826087 0.1631642 0.1153745), wk = 0.0028169 k( 189) = ( 0.2934783 0.1694398 0.1198120), wk = 0.0028169 k( 190) = ( 0.3043478 0.1757153 0.1242495), wk = 0.0028169 k( 191) = ( 0.3152174 0.1819908 0.1286870), wk = 0.0028169 k( 192) = ( 0.3260870 0.1882664 0.1331244), wk = 0.0028169 k( 193) = ( 0.3369565 0.1945419 0.1375619), wk = 0.0028169 k( 194) = ( 0.3478261 0.2008175 0.1419994), wk = 0.0028169 k( 195) = ( 0.3586956 0.2070930 0.1464369), wk = 0.0028169 k( 196) = ( 0.3695652 0.2133686 0.1508744), wk = 0.0028169 k( 197) = ( 0.3804348 0.2196441 0.1553118), wk = 0.0028169 k( 198) = ( 0.3913044 0.2259197 0.1597493), wk = 0.0028169 k( 199) = ( 0.4021739 0.2321952 0.1641868), wk = 0.0028169 k( 200) = ( 0.4130435 0.2384708 0.1686243), wk = 0.0028169 k( 201) = ( 0.4239130 0.2447463 0.1730618), wk = 0.0028169 k( 202) = ( 0.4347826 0.2510219 0.1774993), wk = 0.0028169 k( 203) = ( 0.4456522 0.2572974 0.1819367), wk = 0.0028169 k( 204) = ( 0.4565217 0.2635729 0.1863742), wk = 0.0028169 k( 205) = ( 0.4673913 0.2698485 0.1908117), wk = 0.0028169 k( 206) = ( 0.4782609 0.2761240 0.1952492), wk = 0.0028169 k( 207) = ( 0.4891304 0.2823996 0.1996867), wk = 0.0028169 k( 208) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028169 k( 209) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028169 k( 210) = ( 0.5037879 0.2777405 0.2103097), wk = 0.0028169 k( 211) = ( 0.5075758 0.2668058 0.2164953), wk = 0.0028169 k( 212) = ( 0.5113636 0.2558711 0.2226809), wk = 0.0028169 k( 213) = ( 0.5151515 0.2449365 0.2288665), wk = 0.0028169 k( 214) = ( 0.5189394 0.2340018 0.2350520), wk = 0.0028169 k( 215) = ( 0.5227273 0.2230671 0.2412376), wk = 0.0028169 k( 216) = ( 0.5265152 0.2121325 0.2474232), wk = 0.0028169 k( 217) = ( 0.5303030 0.2011978 0.2536088), wk = 0.0028169 k( 218) = ( 0.5340909 0.1902632 0.2597944), wk = 0.0028169 k( 219) = ( 0.5378788 0.1793285 0.2659800), wk = 0.0028169 k( 220) = ( 0.5416667 0.1683938 0.2721655), wk = 0.0028169 k( 221) = ( 0.5454545 0.1574592 0.2783511), wk = 0.0028169 k( 222) = ( 0.5492424 0.1465245 0.2845367), wk = 0.0028169 k( 223) = ( 0.5530303 0.1355898 0.2907223), wk = 0.0028169 k( 224) = ( 0.5568182 0.1246552 0.2969078), wk = 0.0028169 k( 225) = ( 0.5606061 0.1137205 0.3030934), wk = 0.0028169 k( 226) = ( 0.5643939 0.1027858 0.3092790), wk = 0.0028169 k( 227) = ( 0.5681818 0.0918512 0.3154646), wk = 0.0028169 k( 228) = ( 0.5719697 0.0809165 0.3216502), wk = 0.0028169 k( 229) = ( 0.5757576 0.0699819 0.3278358), wk = 0.0028169 k( 230) = ( 0.5795455 0.0590472 0.3340213), wk = 0.0028169 k( 231) = ( 0.5833333 0.0481125 0.3402069), wk = 0.0028169 k( 232) = ( 0.5871212 0.0371779 0.3463925), wk = 0.0028169 k( 233) = ( 0.5909091 0.0262432 0.3525781), wk = 0.0028169 k( 234) = ( 0.5946970 0.0153085 0.3587636), wk = 0.0028169 k( 235) = ( 0.5984848 0.0043739 0.3649492), wk = 0.0028169 k( 236) = ( 0.6022727 -0.0065608 0.3711348), wk = 0.0028169 k( 237) = ( 0.6060606 -0.0174955 0.3773204), wk = 0.0028169 k( 238) = ( 0.6098485 -0.0284301 0.3835060), wk = 0.0028169 k( 239) = ( 0.6136364 -0.0393648 0.3896915), wk = 0.0028169 k( 240) = ( 0.6174242 -0.0502994 0.3958771), wk = 0.0028169 k( 241) = ( 0.6212121 -0.0612341 0.4020627), wk = 0.0028169 k( 242) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0028169 k( 243) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0028169 k( 244) = ( 0.6184211 -0.0683704 0.4189917), wk = 0.0028169 k( 245) = ( 0.6118421 -0.0645721 0.4297350), wk = 0.0028169 k( 246) = ( 0.6052632 -0.0607737 0.4404784), wk = 0.0028169 k( 247) = ( 0.5986842 -0.0569754 0.4512218), wk = 0.0028169 k( 248) = ( 0.5921053 -0.0531770 0.4619652), wk = 0.0028169 k( 249) = ( 0.5855263 -0.0493786 0.4727085), wk = 0.0028169 k( 250) = ( 0.5789474 -0.0455803 0.4834519), wk = 0.0028169 k( 251) = ( 0.5723684 -0.0417819 0.4941953), wk = 0.0028169 k( 252) = ( 0.5657895 -0.0379836 0.5049387), wk = 0.0028169 k( 253) = ( 0.5592105 -0.0341852 0.5156820), wk = 0.0028169 k( 254) = ( 0.5526316 -0.0303869 0.5264254), wk = 0.0028169 k( 255) = ( 0.5460526 -0.0265885 0.5371688), wk = 0.0028169 k( 256) = ( 0.5394737 -0.0227901 0.5479122), wk = 0.0028169 k( 257) = ( 0.5328947 -0.0189918 0.5586556), wk = 0.0028169 k( 258) = ( 0.5263158 -0.0151934 0.5693989), wk = 0.0028169 k( 259) = ( 0.5197368 -0.0113951 0.5801423), wk = 0.0028169 k( 260) = ( 0.5131579 -0.0075967 0.5908857), wk = 0.0028169 k( 261) = ( 0.5065789 -0.0037984 0.6016291), wk = 0.0028169 k( 262) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0028169 k( 263) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0028169 k( 264) = ( 0.5000000 0.0075967 0.6016291), wk = 0.0028169 k( 265) = ( 0.5000000 0.0151934 0.5908857), wk = 0.0028169 k( 266) = ( 0.5000000 0.0227901 0.5801423), wk = 0.0028169 k( 267) = ( 0.5000000 0.0303869 0.5693989), wk = 0.0028169 k( 268) = ( 0.5000000 0.0379836 0.5586556), wk = 0.0028169 k( 269) = ( 0.5000000 0.0455803 0.5479122), wk = 0.0028169 k( 270) = ( 0.5000000 0.0531770 0.5371688), wk = 0.0028169 k( 271) = ( 0.5000000 0.0607737 0.5264254), wk = 0.0028169 k( 272) = ( 0.5000000 0.0683704 0.5156820), wk = 0.0028169 k( 273) = ( 0.5000000 0.0759671 0.5049387), wk = 0.0028169 k( 274) = ( 0.5000000 0.0835639 0.4941953), wk = 0.0028169 k( 275) = ( 0.5000000 0.0911606 0.4834519), wk = 0.0028169 k( 276) = ( 0.5000000 0.0987573 0.4727085), wk = 0.0028169 k( 277) = ( 0.5000000 0.1063540 0.4619652), wk = 0.0028169 k( 278) = ( 0.5000000 0.1139507 0.4512218), wk = 0.0028169 k( 279) = ( 0.5000000 0.1215474 0.4404784), wk = 0.0028169 k( 280) = ( 0.5000000 0.1291441 0.4297350), wk = 0.0028169 k( 281) = ( 0.5000000 0.1367409 0.4189917), wk = 0.0028169 k( 282) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0028169 k( 283) = ( 0.5000000 0.1519343 0.3975049), wk = 0.0028169 k( 284) = ( 0.5000000 0.1595310 0.3867615), wk = 0.0028169 k( 285) = ( 0.5000000 0.1671277 0.3760182), wk = 0.0028169 k( 286) = ( 0.5000000 0.1747244 0.3652748), wk = 0.0028169 k( 287) = ( 0.5000000 0.1823211 0.3545314), wk = 0.0028169 k( 288) = ( 0.5000000 0.1899178 0.3437880), wk = 0.0028169 k( 289) = ( 0.5000000 0.1975146 0.3330447), wk = 0.0028169 k( 290) = ( 0.5000000 0.2051113 0.3223013), wk = 0.0028169 k( 291) = ( 0.5000000 0.2127080 0.3115579), wk = 0.0028169 k( 292) = ( 0.5000000 0.2203047 0.3008145), wk = 0.0028169 k( 293) = ( 0.5000000 0.2279014 0.2900712), wk = 0.0028169 k( 294) = ( 0.5000000 0.2354981 0.2793278), wk = 0.0028169 k( 295) = ( 0.5000000 0.2430949 0.2685844), wk = 0.0028169 k( 296) = ( 0.5000000 0.2506916 0.2578410), wk = 0.0028169 k( 297) = ( 0.5000000 0.2582883 0.2470977), wk = 0.0028169 k( 298) = ( 0.5000000 0.2658850 0.2363543), wk = 0.0028169 k( 299) = ( 0.5000000 0.2734817 0.2256109), wk = 0.0028169 k( 300) = ( 0.5000000 0.2810784 0.2148675), wk = 0.0028169 k( 301) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028169 k( 302) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028169 k( 303) = ( 0.4962121 0.2864882 0.2164953), wk = 0.0028169 k( 304) = ( 0.4924242 0.2843013 0.2288665), wk = 0.0028169 k( 305) = ( 0.4886364 0.2821143 0.2412376), wk = 0.0028169 k( 306) = ( 0.4848485 0.2799274 0.2536088), wk = 0.0028169 k( 307) = ( 0.4810606 0.2777405 0.2659799), wk = 0.0028169 k( 308) = ( 0.4772727 0.2755535 0.2783511), wk = 0.0028169 k( 309) = ( 0.4734849 0.2733666 0.2907223), wk = 0.0028169 k( 310) = ( 0.4696970 0.2711797 0.3030934), wk = 0.0028169 k( 311) = ( 0.4659091 0.2689927 0.3154646), wk = 0.0028169 k( 312) = ( 0.4621212 0.2668058 0.3278358), wk = 0.0028169 k( 313) = ( 0.4583333 0.2646189 0.3402069), wk = 0.0028169 k( 314) = ( 0.4545455 0.2624319 0.3525781), wk = 0.0028169 k( 315) = ( 0.4507576 0.2602450 0.3649492), wk = 0.0028169 k( 316) = ( 0.4469697 0.2580581 0.3773204), wk = 0.0028169 k( 317) = ( 0.4431818 0.2558711 0.3896915), wk = 0.0028169 k( 318) = ( 0.4393939 0.2536842 0.4020627), wk = 0.0028169 k( 319) = ( 0.4356061 0.2514973 0.4144339), wk = 0.0028169 k( 320) = ( 0.4318182 0.2493103 0.4268050), wk = 0.0028169 k( 321) = ( 0.4280303 0.2471234 0.4391762), wk = 0.0028169 k( 322) = ( 0.4242424 0.2449365 0.4515474), wk = 0.0028169 k( 323) = ( 0.4204545 0.2427495 0.4639185), wk = 0.0028169 k( 324) = ( 0.4166667 0.2405626 0.4762897), wk = 0.0028169 k( 325) = ( 0.4128788 0.2383757 0.4886608), wk = 0.0028169 k( 326) = ( 0.4090909 0.2361887 0.5010320), wk = 0.0028169 k( 327) = ( 0.4053030 0.2340018 0.5134032), wk = 0.0028169 k( 328) = ( 0.4015151 0.2318149 0.5257743), wk = 0.0028169 k( 329) = ( 0.3977273 0.2296279 0.5381455), wk = 0.0028169 k( 330) = ( 0.3939394 0.2274410 0.5505166), wk = 0.0028169 k( 331) = ( 0.3901515 0.2252541 0.5628878), wk = 0.0028169 k( 332) = ( 0.3863636 0.2230672 0.5752590), wk = 0.0028169 k( 333) = ( 0.3825758 0.2208802 0.5876301), wk = 0.0028169 k( 334) = ( 0.3787879 0.2186933 0.6000013), wk = 0.0028169 k( 335) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0028169 k( 336) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0028169 k( 337) = ( 0.6184211 -0.0835638 0.4082483), wk = 0.0028169 k( 338) = ( 0.6118421 -0.0949589 0.4082483), wk = 0.0028169 k( 339) = ( 0.6052632 -0.1063540 0.4082483), wk = 0.0028169 k( 340) = ( 0.5986842 -0.1177491 0.4082483), wk = 0.0028169 k( 341) = ( 0.5921053 -0.1291441 0.4082483), wk = 0.0028169 k( 342) = ( 0.5855263 -0.1405392 0.4082483), wk = 0.0028169 k( 343) = ( 0.5789474 -0.1519343 0.4082483), wk = 0.0028169 k( 344) = ( 0.5723684 -0.1633294 0.4082483), wk = 0.0028169 k( 345) = ( 0.5657895 -0.1747244 0.4082483), wk = 0.0028169 k( 346) = ( 0.5592105 -0.1861195 0.4082483), wk = 0.0028169 k( 347) = ( 0.5526316 -0.1975146 0.4082483), wk = 0.0028169 k( 348) = ( 0.5460526 -0.2089096 0.4082483), wk = 0.0028169 k( 349) = ( 0.5394737 -0.2203047 0.4082483), wk = 0.0028169 k( 350) = ( 0.5328947 -0.2316998 0.4082483), wk = 0.0028169 k( 351) = ( 0.5263158 -0.2430948 0.4082483), wk = 0.0028169 k( 352) = ( 0.5197368 -0.2544899 0.4082483), wk = 0.0028169 k( 353) = ( 0.5131579 -0.2658850 0.4082483), wk = 0.0028169 k( 354) = ( 0.5065789 -0.2772801 0.4082483), wk = 0.0028169 k( 355) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0028169 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028169 k( 2) = ( 0.0092593 0.0000000 0.0092593), wk = 0.0028169 k( 3) = ( 0.0185185 0.0000000 0.0185185), wk = 0.0028169 k( 4) = ( 0.0277778 0.0000000 0.0277778), wk = 0.0028169 k( 5) = ( 0.0370370 0.0000000 0.0370370), wk = 0.0028169 k( 6) = ( 0.0462963 -0.0000000 0.0462963), wk = 0.0028169 k( 7) = ( 0.0555556 0.0000000 0.0555556), wk = 0.0028169 k( 8) = ( 0.0648148 0.0000000 0.0648148), wk = 0.0028169 k( 9) = ( 0.0740741 0.0000000 0.0740741), wk = 0.0028169 k( 10) = ( 0.0833333 0.0000000 0.0833333), wk = 0.0028169 k( 11) = ( 0.0925926 0.0000000 0.0925926), wk = 0.0028169 k( 12) = ( 0.1018518 0.0000000 0.1018519), wk = 0.0028169 k( 13) = ( 0.1111111 0.0000000 0.1111111), wk = 0.0028169 k( 14) = ( 0.1203704 0.0000000 0.1203704), wk = 0.0028169 k( 15) = ( 0.1296296 0.0000000 0.1296296), wk = 0.0028169 k( 16) = ( 0.1388889 0.0000000 0.1388889), wk = 0.0028169 k( 17) = ( 0.1481482 0.0000000 0.1481482), wk = 0.0028169 k( 18) = ( 0.1574074 0.0000000 0.1574074), wk = 0.0028169 k( 19) = ( 0.1666667 0.0000000 0.1666667), wk = 0.0028169 k( 20) = ( 0.1759259 -0.0000000 0.1759259), wk = 0.0028169 k( 21) = ( 0.1851852 0.0000000 0.1851852), wk = 0.0028169 k( 22) = ( 0.1944444 0.0000000 0.1944444), wk = 0.0028169 k( 23) = ( 0.2037037 0.0000000 0.2037037), wk = 0.0028169 k( 24) = ( 0.2129630 0.0000000 0.2129630), wk = 0.0028169 k( 25) = ( 0.2222222 0.0000000 0.2222222), wk = 0.0028169 k( 26) = ( 0.2314815 0.0000000 0.2314815), wk = 0.0028169 k( 27) = ( 0.2407407 0.0000000 0.2407407), wk = 0.0028169 k( 28) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0028169 k( 29) = ( 0.2592593 0.0000000 0.2592593), wk = 0.0028169 k( 30) = ( 0.2685185 0.0000000 0.2685185), wk = 0.0028169 k( 31) = ( 0.2777778 0.0000000 0.2777778), wk = 0.0028169 k( 32) = ( 0.2870370 0.0000000 0.2870370), wk = 0.0028169 k( 33) = ( 0.2962963 0.0000000 0.2962963), wk = 0.0028169 k( 34) = ( 0.3055556 0.0000000 0.3055556), wk = 0.0028169 k( 35) = ( 0.3148148 0.0000000 0.3148148), wk = 0.0028169 k( 36) = ( 0.3240741 0.0000000 0.3240741), wk = 0.0028169 k( 37) = ( 0.3333333 0.0000000 0.3333333), wk = 0.0028169 k( 38) = ( 0.3425926 0.0000000 0.3425926), wk = 0.0028169 k( 39) = ( 0.3518519 0.0000000 0.3518519), wk = 0.0028169 k( 40) = ( 0.3611111 0.0000000 0.3611111), wk = 0.0028169 k( 41) = ( 0.3703704 0.0000000 0.3703704), wk = 0.0028169 k( 42) = ( 0.3796296 0.0000000 0.3796296), wk = 0.0028169 k( 43) = ( 0.3888889 0.0000000 0.3888889), wk = 0.0028169 k( 44) = ( 0.3981481 0.0000000 0.3981482), wk = 0.0028169 k( 45) = ( 0.4074074 0.0000000 0.4074074), wk = 0.0028169 k( 46) = ( 0.4166667 0.0000000 0.4166667), wk = 0.0028169 k( 47) = ( 0.4259259 0.0000000 0.4259259), wk = 0.0028169 k( 48) = ( 0.4351852 0.0000000 0.4351852), wk = 0.0028169 k( 49) = ( 0.4444444 0.0000000 0.4444444), wk = 0.0028169 k( 50) = ( 0.4537037 0.0000000 0.4537037), wk = 0.0028169 k( 51) = ( 0.4629630 0.0000000 0.4629630), wk = 0.0028169 k( 52) = ( 0.4722222 0.0000000 0.4722222), wk = 0.0028169 k( 53) = ( 0.4814815 0.0000000 0.4814815), wk = 0.0028169 k( 54) = ( 0.4907407 0.0000000 0.4907407), wk = 0.0028169 k( 55) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028169 k( 56) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028169 k( 57) = ( 0.5000000 0.0092593 0.5092593), wk = 0.0028169 k( 58) = ( 0.5000000 0.0185185 0.5185185), wk = 0.0028169 k( 59) = ( 0.5000000 0.0277778 0.5277778), wk = 0.0028169 k( 60) = ( 0.5000000 0.0370370 0.5370370), wk = 0.0028169 k( 61) = ( 0.5000000 0.0462963 0.5462963), wk = 0.0028169 k( 62) = ( 0.5000000 0.0555556 0.5555556), wk = 0.0028169 k( 63) = ( 0.5000000 0.0648148 0.5648148), wk = 0.0028169 k( 64) = ( 0.5000000 0.0740741 0.5740741), wk = 0.0028169 k( 65) = ( 0.5000000 0.0833333 0.5833333), wk = 0.0028169 k( 66) = ( 0.5000000 0.0925926 0.5925926), wk = 0.0028169 k( 67) = ( 0.5000000 0.1018519 0.6018519), wk = 0.0028169 k( 68) = ( 0.5000000 0.1111111 0.6111111), wk = 0.0028169 k( 69) = ( 0.5000000 0.1203704 0.6203704), wk = 0.0028169 k( 70) = ( 0.5000000 0.1296296 0.6296296), wk = 0.0028169 k( 71) = ( 0.5000000 0.1388889 0.6388889), wk = 0.0028169 k( 72) = ( 0.5000000 0.1481482 0.6481482), wk = 0.0028169 k( 73) = ( 0.5000000 0.1574074 0.6574074), wk = 0.0028169 k( 74) = ( 0.5000000 0.1666667 0.6666667), wk = 0.0028169 k( 75) = ( 0.5000000 0.1759259 0.6759259), wk = 0.0028169 k( 76) = ( 0.5000000 0.1851852 0.6851852), wk = 0.0028169 k( 77) = ( 0.5000000 0.1944444 0.6944444), wk = 0.0028169 k( 78) = ( 0.5000000 0.2037037 0.7037037), wk = 0.0028169 k( 79) = ( 0.5000000 0.2129630 0.7129630), wk = 0.0028169 k( 80) = ( 0.5000000 0.2222222 0.7222222), wk = 0.0028169 k( 81) = ( 0.5000000 0.2314815 0.7314815), wk = 0.0028169 k( 82) = ( 0.5000000 0.2407407 0.7407407), wk = 0.0028169 k( 83) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028169 k( 84) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028169 k( 85) = ( 0.4934211 0.2565789 0.7500000), wk = 0.0028169 k( 86) = ( 0.4868421 0.2631579 0.7500000), wk = 0.0028169 k( 87) = ( 0.4802632 0.2697368 0.7500000), wk = 0.0028169 k( 88) = ( 0.4736842 0.2763158 0.7500000), wk = 0.0028169 k( 89) = ( 0.4671053 0.2828947 0.7500000), wk = 0.0028169 k( 90) = ( 0.4605263 0.2894737 0.7500000), wk = 0.0028169 k( 91) = ( 0.4539474 0.2960526 0.7500000), wk = 0.0028169 k( 92) = ( 0.4473684 0.3026316 0.7500000), wk = 0.0028169 k( 93) = ( 0.4407895 0.3092105 0.7500000), wk = 0.0028169 k( 94) = ( 0.4342105 0.3157895 0.7500000), wk = 0.0028169 k( 95) = ( 0.4276316 0.3223684 0.7500000), wk = 0.0028169 k( 96) = ( 0.4210526 0.3289474 0.7500000), wk = 0.0028169 k( 97) = ( 0.4144737 0.3355263 0.7500000), wk = 0.0028169 k( 98) = ( 0.4078947 0.3421053 0.7500000), wk = 0.0028169 k( 99) = ( 0.4013158 0.3486842 0.7500000), wk = 0.0028169 k( 100) = ( 0.3947368 0.3552632 0.7500000), wk = 0.0028169 k( 101) = ( 0.3881579 0.3618421 0.7500000), wk = 0.0028169 k( 102) = ( 0.3815789 0.3684211 0.7500000), wk = 0.0028169 k( 103) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028169 k( 104) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028169 k( 105) = ( 0.3684211 0.3684211 0.7368421), wk = 0.0028169 k( 106) = ( 0.3618421 0.3618421 0.7236842), wk = 0.0028169 k( 107) = ( 0.3552632 0.3552632 0.7105263), wk = 0.0028169 k( 108) = ( 0.3486842 0.3486842 0.6973684), wk = 0.0028169 k( 109) = ( 0.3421053 0.3421053 0.6842105), wk = 0.0028169 k( 110) = ( 0.3355263 0.3355263 0.6710526), wk = 0.0028169 k( 111) = ( 0.3289474 0.3289474 0.6578947), wk = 0.0028169 k( 112) = ( 0.3223684 0.3223684 0.6447368), wk = 0.0028169 k( 113) = ( 0.3157895 0.3157895 0.6315789), wk = 0.0028169 k( 114) = ( 0.3092105 0.3092105 0.6184211), wk = 0.0028169 k( 115) = ( 0.3026316 0.3026316 0.6052632), wk = 0.0028169 k( 116) = ( 0.2960526 0.2960526 0.5921053), wk = 0.0028169 k( 117) = ( 0.2894737 0.2894737 0.5789474), wk = 0.0028169 k( 118) = ( 0.2828947 0.2828947 0.5657895), wk = 0.0028169 k( 119) = ( 0.2763158 0.2763158 0.5526316), wk = 0.0028169 k( 120) = ( 0.2697368 0.2697368 0.5394737), wk = 0.0028169 k( 121) = ( 0.2631579 0.2631579 0.5263158), wk = 0.0028169 k( 122) = ( 0.2565789 0.2565789 0.5131579), wk = 0.0028169 k( 123) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0028169 k( 124) = ( 0.2434210 0.2434210 0.4868421), wk = 0.0028169 k( 125) = ( 0.2368421 0.2368421 0.4736842), wk = 0.0028169 k( 126) = ( 0.2302632 0.2302632 0.4605263), wk = 0.0028169 k( 127) = ( 0.2236842 0.2236842 0.4473684), wk = 0.0028169 k( 128) = ( 0.2171053 0.2171053 0.4342105), wk = 0.0028169 k( 129) = ( 0.2105263 0.2105263 0.4210526), wk = 0.0028169 k( 130) = ( 0.2039474 0.2039474 0.4078947), wk = 0.0028169 k( 131) = ( 0.1973684 0.1973684 0.3947368), wk = 0.0028169 k( 132) = ( 0.1907895 0.1907895 0.3815789), wk = 0.0028169 k( 133) = ( 0.1842105 0.1842105 0.3684211), wk = 0.0028169 k( 134) = ( 0.1776316 0.1776316 0.3552632), wk = 0.0028169 k( 135) = ( 0.1710526 0.1710526 0.3421053), wk = 0.0028169 k( 136) = ( 0.1644737 0.1644737 0.3289474), wk = 0.0028169 k( 137) = ( 0.1578947 0.1578947 0.3157895), wk = 0.0028169 k( 138) = ( 0.1513158 0.1513158 0.3026316), wk = 0.0028169 k( 139) = ( 0.1447368 0.1447368 0.2894737), wk = 0.0028169 k( 140) = ( 0.1381579 0.1381579 0.2763158), wk = 0.0028169 k( 141) = ( 0.1315790 0.1315790 0.2631579), wk = 0.0028169 k( 142) = ( 0.1250000 0.1250000 0.2500000), wk = 0.0028169 k( 143) = ( 0.1184210 0.1184210 0.2368421), wk = 0.0028169 k( 144) = ( 0.1118421 0.1118421 0.2236842), wk = 0.0028169 k( 145) = ( 0.1052632 0.1052632 0.2105263), wk = 0.0028169 k( 146) = ( 0.0986842 0.0986842 0.1973684), wk = 0.0028169 k( 147) = ( 0.0921053 0.0921053 0.1842105), wk = 0.0028169 k( 148) = ( 0.0855263 0.0855263 0.1710526), wk = 0.0028169 k( 149) = ( 0.0789474 0.0789474 0.1578947), wk = 0.0028169 k( 150) = ( 0.0723684 0.0723684 0.1447368), wk = 0.0028169 k( 151) = ( 0.0657895 0.0657895 0.1315790), wk = 0.0028169 k( 152) = ( 0.0592105 0.0592105 0.1184210), wk = 0.0028169 k( 153) = ( 0.0526316 0.0526316 0.1052632), wk = 0.0028169 k( 154) = ( 0.0460526 0.0460526 0.0921053), wk = 0.0028169 k( 155) = ( 0.0394737 0.0394737 0.0789474), wk = 0.0028169 k( 156) = ( 0.0328947 0.0328947 0.0657895), wk = 0.0028169 k( 157) = ( 0.0263158 0.0263158 0.0526316), wk = 0.0028169 k( 158) = ( 0.0197368 0.0197368 0.0394737), wk = 0.0028169 k( 159) = ( 0.0131579 0.0131579 0.0263158), wk = 0.0028169 k( 160) = ( 0.0065790 0.0065790 0.0131579), wk = 0.0028169 k( 161) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028169 k( 162) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028169 k( 163) = ( 0.0108696 0.0108696 0.0108696), wk = 0.0028169 k( 164) = ( 0.0217391 0.0217391 0.0217391), wk = 0.0028169 k( 165) = ( 0.0326087 0.0326087 0.0326087), wk = 0.0028169 k( 166) = ( 0.0434783 0.0434783 0.0434783), wk = 0.0028169 k( 167) = ( 0.0543478 0.0543478 0.0543478), wk = 0.0028169 k( 168) = ( 0.0652174 0.0652174 0.0652174), wk = 0.0028169 k( 169) = ( 0.0760870 0.0760870 0.0760870), wk = 0.0028169 k( 170) = ( 0.0869565 0.0869565 0.0869565), wk = 0.0028169 k( 171) = ( 0.0978261 0.0978261 0.0978261), wk = 0.0028169 k( 172) = ( 0.1086957 0.1086957 0.1086957), wk = 0.0028169 k( 173) = ( 0.1195652 0.1195652 0.1195652), wk = 0.0028169 k( 174) = ( 0.1304348 0.1304348 0.1304348), wk = 0.0028169 k( 175) = ( 0.1413043 0.1413043 0.1413043), wk = 0.0028169 k( 176) = ( 0.1521739 0.1521739 0.1521739), wk = 0.0028169 k( 177) = ( 0.1630435 0.1630435 0.1630435), wk = 0.0028169 k( 178) = ( 0.1739130 0.1739130 0.1739130), wk = 0.0028169 k( 179) = ( 0.1847826 0.1847826 0.1847826), wk = 0.0028169 k( 180) = ( 0.1956522 0.1956522 0.1956522), wk = 0.0028169 k( 181) = ( 0.2065217 0.2065217 0.2065217), wk = 0.0028169 k( 182) = ( 0.2173913 0.2173913 0.2173913), wk = 0.0028169 k( 183) = ( 0.2282609 0.2282609 0.2282609), wk = 0.0028169 k( 184) = ( 0.2391304 0.2391304 0.2391304), wk = 0.0028169 k( 185) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028169 k( 186) = ( 0.2608696 0.2608696 0.2608696), wk = 0.0028169 k( 187) = ( 0.2717391 0.2717391 0.2717391), wk = 0.0028169 k( 188) = ( 0.2826087 0.2826087 0.2826087), wk = 0.0028169 k( 189) = ( 0.2934783 0.2934783 0.2934783), wk = 0.0028169 k( 190) = ( 0.3043478 0.3043478 0.3043478), wk = 0.0028169 k( 191) = ( 0.3152174 0.3152174 0.3152174), wk = 0.0028169 k( 192) = ( 0.3260870 0.3260870 0.3260870), wk = 0.0028169 k( 193) = ( 0.3369565 0.3369565 0.3369565), wk = 0.0028169 k( 194) = ( 0.3478261 0.3478261 0.3478261), wk = 0.0028169 k( 195) = ( 0.3586956 0.3586956 0.3586956), wk = 0.0028169 k( 196) = ( 0.3695652 0.3695652 0.3695652), wk = 0.0028169 k( 197) = ( 0.3804348 0.3804348 0.3804348), wk = 0.0028169 k( 198) = ( 0.3913044 0.3913044 0.3913044), wk = 0.0028169 k( 199) = ( 0.4021739 0.4021739 0.4021739), wk = 0.0028169 k( 200) = ( 0.4130435 0.4130435 0.4130435), wk = 0.0028169 k( 201) = ( 0.4239130 0.4239130 0.4239130), wk = 0.0028169 k( 202) = ( 0.4347826 0.4347826 0.4347826), wk = 0.0028169 k( 203) = ( 0.4456522 0.4456522 0.4456522), wk = 0.0028169 k( 204) = ( 0.4565217 0.4565217 0.4565217), wk = 0.0028169 k( 205) = ( 0.4673913 0.4673913 0.4673913), wk = 0.0028169 k( 206) = ( 0.4782609 0.4782609 0.4782609), wk = 0.0028169 k( 207) = ( 0.4891304 0.4891304 0.4891304), wk = 0.0028169 k( 208) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028169 k( 209) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028169 k( 210) = ( 0.5037879 0.4924242 0.5037879), wk = 0.0028169 k( 211) = ( 0.5075758 0.4848485 0.5075758), wk = 0.0028169 k( 212) = ( 0.5113636 0.4772727 0.5113636), wk = 0.0028169 k( 213) = ( 0.5151515 0.4696970 0.5151515), wk = 0.0028169 k( 214) = ( 0.5189394 0.4621212 0.5189394), wk = 0.0028169 k( 215) = ( 0.5227273 0.4545455 0.5227273), wk = 0.0028169 k( 216) = ( 0.5265152 0.4469697 0.5265152), wk = 0.0028169 k( 217) = ( 0.5303030 0.4393939 0.5303030), wk = 0.0028169 k( 218) = ( 0.5340909 0.4318182 0.5340909), wk = 0.0028169 k( 219) = ( 0.5378788 0.4242424 0.5378788), wk = 0.0028169 k( 220) = ( 0.5416667 0.4166667 0.5416667), wk = 0.0028169 k( 221) = ( 0.5454545 0.4090909 0.5454546), wk = 0.0028169 k( 222) = ( 0.5492424 0.4015151 0.5492424), wk = 0.0028169 k( 223) = ( 0.5530303 0.3939394 0.5530303), wk = 0.0028169 k( 224) = ( 0.5568182 0.3863636 0.5568182), wk = 0.0028169 k( 225) = ( 0.5606061 0.3787879 0.5606061), wk = 0.0028169 k( 226) = ( 0.5643939 0.3712121 0.5643939), wk = 0.0028169 k( 227) = ( 0.5681818 0.3636364 0.5681818), wk = 0.0028169 k( 228) = ( 0.5719697 0.3560606 0.5719697), wk = 0.0028169 k( 229) = ( 0.5757576 0.3484849 0.5757576), wk = 0.0028169 k( 230) = ( 0.5795455 0.3409091 0.5795455), wk = 0.0028169 k( 231) = ( 0.5833333 0.3333333 0.5833333), wk = 0.0028169 k( 232) = ( 0.5871212 0.3257576 0.5871212), wk = 0.0028169 k( 233) = ( 0.5909091 0.3181818 0.5909091), wk = 0.0028169 k( 234) = ( 0.5946970 0.3106061 0.5946970), wk = 0.0028169 k( 235) = ( 0.5984848 0.3030303 0.5984848), wk = 0.0028169 k( 236) = ( 0.6022727 0.2954546 0.6022727), wk = 0.0028169 k( 237) = ( 0.6060606 0.2878788 0.6060606), wk = 0.0028169 k( 238) = ( 0.6098485 0.2803030 0.6098485), wk = 0.0028169 k( 239) = ( 0.6136364 0.2727273 0.6136364), wk = 0.0028169 k( 240) = ( 0.6174242 0.2651515 0.6174242), wk = 0.0028169 k( 241) = ( 0.6212121 0.2575758 0.6212121), wk = 0.0028169 k( 242) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028169 k( 243) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028169 k( 244) = ( 0.6184211 0.2500000 0.6315790), wk = 0.0028169 k( 245) = ( 0.6118421 0.2500000 0.6381579), wk = 0.0028169 k( 246) = ( 0.6052632 0.2500000 0.6447368), wk = 0.0028169 k( 247) = ( 0.5986842 0.2500000 0.6513158), wk = 0.0028169 k( 248) = ( 0.5921053 0.2500000 0.6578947), wk = 0.0028169 k( 249) = ( 0.5855263 0.2500000 0.6644737), wk = 0.0028169 k( 250) = ( 0.5789474 0.2500000 0.6710526), wk = 0.0028169 k( 251) = ( 0.5723684 0.2500000 0.6776316), wk = 0.0028169 k( 252) = ( 0.5657895 0.2500000 0.6842105), wk = 0.0028169 k( 253) = ( 0.5592105 0.2500000 0.6907895), wk = 0.0028169 k( 254) = ( 0.5526316 0.2500000 0.6973684), wk = 0.0028169 k( 255) = ( 0.5460526 0.2500000 0.7039474), wk = 0.0028169 k( 256) = ( 0.5394737 0.2500000 0.7105263), wk = 0.0028169 k( 257) = ( 0.5328947 0.2500000 0.7171053), wk = 0.0028169 k( 258) = ( 0.5263158 0.2500000 0.7236842), wk = 0.0028169 k( 259) = ( 0.5197368 0.2500000 0.7302632), wk = 0.0028169 k( 260) = ( 0.5131579 0.2500000 0.7368421), wk = 0.0028169 k( 261) = ( 0.5065789 0.2500000 0.7434211), wk = 0.0028169 k( 262) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028169 k( 263) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028169 k( 264) = ( 0.5000000 0.2565789 0.7434211), wk = 0.0028169 k( 265) = ( 0.5000000 0.2631579 0.7368421), wk = 0.0028169 k( 266) = ( 0.5000000 0.2697368 0.7302632), wk = 0.0028169 k( 267) = ( 0.5000000 0.2763158 0.7236842), wk = 0.0028169 k( 268) = ( 0.5000000 0.2828947 0.7171053), wk = 0.0028169 k( 269) = ( 0.5000000 0.2894737 0.7105263), wk = 0.0028169 k( 270) = ( 0.5000000 0.2960526 0.7039474), wk = 0.0028169 k( 271) = ( 0.5000000 0.3026316 0.6973684), wk = 0.0028169 k( 272) = ( 0.5000000 0.3092105 0.6907895), wk = 0.0028169 k( 273) = ( 0.5000000 0.3157895 0.6842105), wk = 0.0028169 k( 274) = ( 0.5000000 0.3223684 0.6776316), wk = 0.0028169 k( 275) = ( 0.5000000 0.3289474 0.6710526), wk = 0.0028169 k( 276) = ( 0.5000000 0.3355263 0.6644737), wk = 0.0028169 k( 277) = ( 0.5000000 0.3421053 0.6578947), wk = 0.0028169 k( 278) = ( 0.5000000 0.3486842 0.6513158), wk = 0.0028169 k( 279) = ( 0.5000000 0.3552632 0.6447368), wk = 0.0028169 k( 280) = ( 0.5000000 0.3618421 0.6381579), wk = 0.0028169 k( 281) = ( 0.5000000 0.3684211 0.6315789), wk = 0.0028169 k( 282) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0028169 k( 283) = ( 0.5000000 0.3815789 0.6184211), wk = 0.0028169 k( 284) = ( 0.5000000 0.3881579 0.6118421), wk = 0.0028169 k( 285) = ( 0.5000000 0.3947368 0.6052632), wk = 0.0028169 k( 286) = ( 0.5000000 0.4013158 0.5986842), wk = 0.0028169 k( 287) = ( 0.5000000 0.4078947 0.5921053), wk = 0.0028169 k( 288) = ( 0.5000000 0.4144737 0.5855263), wk = 0.0028169 k( 289) = ( 0.5000000 0.4210526 0.5789474), wk = 0.0028169 k( 290) = ( 0.5000000 0.4276316 0.5723684), wk = 0.0028169 k( 291) = ( 0.5000000 0.4342105 0.5657895), wk = 0.0028169 k( 292) = ( 0.5000000 0.4407895 0.5592105), wk = 0.0028169 k( 293) = ( 0.5000000 0.4473684 0.5526316), wk = 0.0028169 k( 294) = ( 0.5000000 0.4539474 0.5460526), wk = 0.0028169 k( 295) = ( 0.5000000 0.4605263 0.5394737), wk = 0.0028169 k( 296) = ( 0.5000000 0.4671053 0.5328947), wk = 0.0028169 k( 297) = ( 0.5000000 0.4736842 0.5263158), wk = 0.0028169 k( 298) = ( 0.5000000 0.4802632 0.5197368), wk = 0.0028169 k( 299) = ( 0.5000000 0.4868421 0.5131579), wk = 0.0028169 k( 300) = ( 0.5000000 0.4934211 0.5065789), wk = 0.0028169 k( 301) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028169 k( 302) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028169 k( 303) = ( 0.4962121 0.4962121 0.5075758), wk = 0.0028169 k( 304) = ( 0.4924242 0.4924242 0.5151515), wk = 0.0028169 k( 305) = ( 0.4886364 0.4886364 0.5227273), wk = 0.0028169 k( 306) = ( 0.4848485 0.4848485 0.5303030), wk = 0.0028169 k( 307) = ( 0.4810606 0.4810606 0.5378788), wk = 0.0028169 k( 308) = ( 0.4772727 0.4772727 0.5454545), wk = 0.0028169 k( 309) = ( 0.4734849 0.4734848 0.5530303), wk = 0.0028169 k( 310) = ( 0.4696970 0.4696970 0.5606061), wk = 0.0028169 k( 311) = ( 0.4659091 0.4659091 0.5681818), wk = 0.0028169 k( 312) = ( 0.4621212 0.4621212 0.5757576), wk = 0.0028169 k( 313) = ( 0.4583333 0.4583333 0.5833333), wk = 0.0028169 k( 314) = ( 0.4545455 0.4545455 0.5909091), wk = 0.0028169 k( 315) = ( 0.4507576 0.4507576 0.5984848), wk = 0.0028169 k( 316) = ( 0.4469697 0.4469697 0.6060606), wk = 0.0028169 k( 317) = ( 0.4431818 0.4431818 0.6136364), wk = 0.0028169 k( 318) = ( 0.4393939 0.4393939 0.6212121), wk = 0.0028169 k( 319) = ( 0.4356061 0.4356061 0.6287879), wk = 0.0028169 k( 320) = ( 0.4318182 0.4318182 0.6363636), wk = 0.0028169 k( 321) = ( 0.4280303 0.4280303 0.6439394), wk = 0.0028169 k( 322) = ( 0.4242424 0.4242424 0.6515152), wk = 0.0028169 k( 323) = ( 0.4204545 0.4204545 0.6590909), wk = 0.0028169 k( 324) = ( 0.4166667 0.4166667 0.6666667), wk = 0.0028169 k( 325) = ( 0.4128788 0.4128788 0.6742424), wk = 0.0028169 k( 326) = ( 0.4090909 0.4090909 0.6818182), wk = 0.0028169 k( 327) = ( 0.4053030 0.4053030 0.6893939), wk = 0.0028169 k( 328) = ( 0.4015151 0.4015151 0.6969697), wk = 0.0028169 k( 329) = ( 0.3977273 0.3977273 0.7045455), wk = 0.0028169 k( 330) = ( 0.3939394 0.3939394 0.7121212), wk = 0.0028169 k( 331) = ( 0.3901515 0.3901515 0.7196970), wk = 0.0028169 k( 332) = ( 0.3863636 0.3863636 0.7272727), wk = 0.0028169 k( 333) = ( 0.3825758 0.3825758 0.7348485), wk = 0.0028169 k( 334) = ( 0.3787879 0.3787879 0.7424242), wk = 0.0028169 k( 335) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028169 k( 336) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028169 k( 337) = ( 0.6184211 0.2368421 0.6184211), wk = 0.0028169 k( 338) = ( 0.6118421 0.2236842 0.6118421), wk = 0.0028169 k( 339) = ( 0.6052632 0.2105263 0.6052632), wk = 0.0028169 k( 340) = ( 0.5986842 0.1973684 0.5986842), wk = 0.0028169 k( 341) = ( 0.5921053 0.1842105 0.5921053), wk = 0.0028169 k( 342) = ( 0.5855263 0.1710526 0.5855263), wk = 0.0028169 k( 343) = ( 0.5789474 0.1578947 0.5789474), wk = 0.0028169 k( 344) = ( 0.5723684 0.1447368 0.5723684), wk = 0.0028169 k( 345) = ( 0.5657895 0.1315790 0.5657895), wk = 0.0028169 k( 346) = ( 0.5592105 0.1184211 0.5592105), wk = 0.0028169 k( 347) = ( 0.5526316 0.1052632 0.5526316), wk = 0.0028169 k( 348) = ( 0.5460526 0.0921053 0.5460526), wk = 0.0028169 k( 349) = ( 0.5394737 0.0789474 0.5394737), wk = 0.0028169 k( 350) = ( 0.5328947 0.0657895 0.5328947), wk = 0.0028169 k( 351) = ( 0.5263158 0.0526316 0.5263158), wk = 0.0028169 k( 352) = ( 0.5197368 0.0394737 0.5197368), wk = 0.0028169 k( 353) = ( 0.5131579 0.0263158 0.5131579), wk = 0.0028169 k( 354) = ( 0.5065789 0.0131579 0.5065790), wk = 0.0028169 k( 355) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028169 Dense grid: 33487 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 16865 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.06 Mb ( 114, 36) NL pseudopotentials 0.05 Mb ( 57, 62) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 930) G-vector shells 0.00 Mb ( 294) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.25 Mb ( 114, 144) Each subspace H/S matrix 0.02 Mb ( 36, 36) Each matrix 0.07 Mb ( 62, 2, 36) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./PbF2.save/charge-density.dat Starting wfc are 34 randomized atomic wfcs + 2 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.7 secs Computing kpt #: 2 total cpu time spent up to now is 1.8 secs Computing kpt #: 3 total cpu time spent up to now is 1.9 secs Computing kpt #: 4 total cpu time spent up to now is 2.0 secs Computing kpt #: 5 total cpu time spent up to now is 2.1 secs Computing kpt #: 6 total cpu time spent up to now is 2.3 secs Computing kpt #: 7 total cpu time spent up to now is 2.4 secs Computing kpt #: 8 total cpu time spent up to now is 2.5 secs Computing kpt #: 9 total cpu time spent up to now is 2.6 secs Computing kpt #: 10 total cpu time spent up to now is 2.7 secs Computing kpt #: 11 total cpu time spent up to now is 2.9 secs Computing kpt #: 12 total cpu time spent up to now is 3.0 secs Computing kpt #: 13 total cpu time spent up to now is 3.1 secs Computing kpt #: 14 total cpu time spent up to now is 3.3 secs Computing kpt #: 15 total cpu time spent up to now is 3.4 secs Computing kpt #: 16 total cpu time 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cpu time spent up to now is 5.7 secs Computing kpt #: 33 total cpu time spent up to now is 5.8 secs Computing kpt #: 34 total cpu time spent up to now is 5.9 secs Computing kpt #: 35 total cpu time spent up to now is 6.1 secs Computing kpt #: 36 total cpu time spent up to now is 6.2 secs Computing kpt #: 37 total cpu time spent up to now is 6.3 secs Computing kpt #: 38 total cpu time spent up to now is 6.4 secs Computing kpt #: 39 total cpu time spent up to now is 6.5 secs Computing kpt #: 40 total cpu time spent up to now is 6.7 secs Computing kpt #: 41 total cpu time spent up to now is 6.8 secs Computing kpt #: 42 total cpu time spent up to now is 6.9 secs Computing kpt #: 43 total cpu time spent up to now is 7.0 secs Computing kpt #: 44 total cpu time spent up to now is 7.5 secs Computing kpt #: 45 total cpu time spent up to now is 7.6 secs Computing kpt #: 46 total cpu time spent up to now is 7.7 secs Computing kpt #: 47 total cpu time spent up to now is 7.8 secs Computing kpt #: 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total cpu time spent up to now is 32.4 secs Computing kpt #: 219 total cpu time spent up to now is 32.5 secs Computing kpt #: 220 total cpu time spent up to now is 32.7 secs Computing kpt #: 221 total cpu time spent up to now is 32.8 secs Computing kpt #: 222 total cpu time spent up to now is 33.0 secs Computing kpt #: 223 total cpu time spent up to now is 33.1 secs Computing kpt #: 224 total cpu time spent up to now is 33.3 secs Computing kpt #: 225 total cpu time spent up to now is 33.4 secs Computing kpt #: 226 total cpu time spent up to now is 33.5 secs Computing kpt #: 227 total cpu time spent up to now is 33.7 secs Computing kpt #: 228 total cpu time spent up to now is 33.8 secs Computing kpt #: 229 total cpu time spent up to now is 34.0 secs Computing kpt #: 230 total cpu time spent up to now is 34.1 secs Computing kpt #: 231 total cpu time spent up to now is 34.2 secs Computing kpt #: 232 total cpu time spent up to now is 34.4 secs Computing kpt #: 233 total cpu time spent up 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Computing kpt #: 295 total cpu time spent up to now is 43.9 secs Computing kpt #: 296 total cpu time spent up to now is 44.1 secs Computing kpt #: 297 total cpu time spent up to now is 44.2 secs Computing kpt #: 298 total cpu time spent up to now is 44.4 secs Computing kpt #: 299 total cpu time spent up to now is 44.6 secs Computing kpt #: 300 total cpu time spent up to now is 44.9 secs Computing kpt #: 301 total cpu time spent up to now is 45.1 secs Computing kpt #: 302 total cpu time spent up to now is 45.3 secs Computing kpt #: 303 total cpu time spent up to now is 45.5 secs Computing kpt #: 304 total cpu time spent up to now is 45.7 secs Computing kpt #: 305 total cpu time spent up to now is 45.9 secs Computing kpt #: 306 total cpu time spent up to now is 46.1 secs Computing kpt #: 307 total cpu time spent up to now is 46.3 secs Computing kpt #: 308 total cpu time spent up to now is 46.5 secs Computing kpt #: 309 total cpu time spent up to now is 46.6 secs Computing kpt #: 310 total cpu time spent up to now is 46.8 secs Computing kpt #: 311 total cpu time spent up to now is 47.0 secs Computing kpt #: 312 total cpu time spent up to now is 47.1 secs Computing kpt #: 313 total cpu time spent up to now is 47.3 secs Computing kpt #: 314 total cpu time spent up to now is 47.4 secs Computing kpt #: 315 total cpu time spent up to now is 47.6 secs Computing kpt #: 316 total cpu time spent up to now is 47.7 secs Computing kpt #: 317 total cpu time spent up to now is 47.9 secs Computing kpt #: 318 total cpu time spent up to now is 48.0 secs Computing kpt #: 319 total cpu time spent up to now is 48.2 secs Computing kpt #: 320 total cpu time spent up to now is 48.3 secs Computing kpt #: 321 total cpu time spent up to now is 48.5 secs Computing kpt #: 322 total cpu time spent up to now is 48.6 secs Computing kpt #: 323 total cpu time spent up to now is 48.7 secs Computing kpt #: 324 total cpu time spent up to now is 48.9 secs Computing kpt #: 325 total cpu time spent up to now is 49.0 secs Computing kpt #: 326 total cpu time spent up to now is 49.1 secs Computing kpt #: 327 total cpu time spent up to now is 49.3 secs Computing kpt #: 328 total cpu time spent up to now is 49.4 secs Computing kpt #: 329 total cpu time spent up to now is 49.5 secs Computing kpt #: 330 total cpu time spent up to now is 49.7 secs Computing kpt #: 331 total cpu time spent up to now is 49.8 secs Computing kpt #: 332 total cpu time spent up to now is 50.0 secs Computing kpt #: 333 total cpu time spent up to now is 50.1 secs Computing kpt #: 334 total cpu time spent up to now is 50.2 secs Computing kpt #: 335 total cpu time spent up to now is 50.4 secs Computing kpt #: 336 total cpu time spent up to now is 50.5 secs Computing kpt #: 337 total cpu time spent up to now is 50.6 secs Computing kpt #: 338 total cpu time spent up to now is 50.8 secs Computing kpt #: 339 total cpu time spent up to now is 50.9 secs Computing kpt #: 340 total cpu time spent up to now is 51.0 secs Computing kpt #: 341 total cpu time spent up to now is 51.2 secs Computing kpt #: 342 total cpu time spent up to now is 51.3 secs Computing kpt #: 343 total cpu time spent up to now is 51.4 secs Computing kpt #: 344 total cpu time spent up to now is 51.6 secs Computing kpt #: 345 total cpu time spent up to now is 51.7 secs Computing kpt #: 346 total cpu time spent up to now is 51.8 secs Computing kpt #: 347 total cpu time spent up to now is 51.9 secs Computing kpt #: 348 total cpu time spent up to now is 52.1 secs Computing kpt #: 349 total cpu time spent up to now is 52.2 secs Computing kpt #: 350 total cpu time spent up to now is 52.3 secs Computing kpt #: 351 total cpu time spent up to now is 52.4 secs Computing kpt #: 352 total cpu time spent up to now is 52.6 secs Computing kpt #: 353 total cpu time spent up to now is 52.7 secs Computing kpt #: 354 total cpu time spent up to now is 52.8 secs Computing kpt #: 355 total cpu time spent up to now is 52.9 secs ethr = 3.57E-08, avg # of iterations = 12.2 total cpu time spent up to now is 52.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2085 PWs) bands (ev): -15.9784 -15.9784 -15.3618 -15.3618 -10.7106 -10.7106 -10.7106 -10.7106 -8.1997 -8.1997 -8.1509 -8.1509 -8.1509 -8.1509 0.5426 0.5426 2.6509 2.6509 2.6509 2.6509 2.6575 2.6575 3.0214 3.0214 3.1857 3.1857 3.1857 3.1857 10.1636 10.1636 12.6015 12.6015 12.6015 12.6015 15.8161 15.8161 k = 0.0093-0.0053 0.0076 ( 2085 PWs) bands (ev): -15.9782 -15.9782 -15.3620 -15.3620 -10.7106 -10.7106 -10.7105 -10.7105 -8.1996 -8.1996 -8.1509 -8.1509 -8.1508 -8.1508 0.5402 0.5402 2.6491 2.6491 2.6508 2.6508 2.6570 2.6570 3.0231 3.0231 3.1864 3.1864 3.1874 3.1874 10.1635 10.1635 12.5971 12.5971 12.6025 12.6025 15.8245 15.8245 k = 0.0185-0.0107 0.0151 ( 2085 PWs) bands (ev): -15.9775 -15.9775 -15.3627 -15.3627 -10.7105 -10.7105 -10.7102 -10.7102 -8.1992 -8.1992 -8.1508 -8.1508 -8.1505 -8.1505 0.5333 0.5333 2.6438 2.6438 2.6490 2.6490 2.6572 2.6572 3.0280 3.0280 3.1883 3.1883 3.1923 3.1923 10.1630 10.1630 12.5839 12.5839 12.6056 12.6056 15.8495 15.8495 k = 0.0278-0.0160 0.0227 ( 2089 PWs) bands (ev): -15.9764 -15.9764 -15.3637 -15.3637 -10.7104 -10.7104 -10.7097 -10.7097 -8.1985 -8.1985 -8.1508 -8.1508 -8.1501 -8.1501 0.5218 0.5218 2.6351 2.6351 2.6436 2.6436 2.6598 2.6598 3.0357 3.0357 3.1914 3.1914 3.2006 3.2006 10.1622 10.1622 12.5627 12.5627 12.6108 12.6108 15.8905 15.8905 k = 0.0370-0.0214 0.0302 ( 2089 PWs) bands (ev): -15.9749 -15.9749 -15.3651 -15.3651 -10.7102 -10.7102 -10.7090 -10.7090 -8.1976 -8.1976 -8.1507 -8.1507 -8.1495 -8.1495 0.5060 0.5060 2.6234 2.6234 2.6353 2.6353 2.6644 2.6644 3.0460 3.0460 3.1956 3.1956 3.2123 3.2123 10.1609 10.1609 12.5343 12.5343 12.6180 12.6180 15.9465 15.9465 k = 0.0463-0.0267 0.0378 ( 2089 PWs) bands (ev): -15.9729 -15.9729 -15.3670 -15.3670 -10.7100 -10.7100 -10.7081 -10.7081 -8.1964 -8.1964 -8.1506 -8.1506 -8.1488 -8.1488 0.4859 0.4859 2.6089 2.6089 2.6247 2.6247 2.6705 2.6705 3.0582 3.0582 3.2009 3.2009 3.2275 3.2275 10.1591 10.1591 12.4998 12.4998 12.6272 12.6272 16.0162 16.0162 k = 0.0556-0.0321 0.0454 ( 2089 PWs) bands (ev): -15.9704 -15.9704 -15.3692 -15.3692 -10.7097 -10.7097 -10.7071 -10.7071 -8.1950 -8.1950 -8.1504 -8.1504 -8.1478 -8.1478 0.4619 0.4619 2.5918 2.5918 2.6119 2.6119 2.6780 2.6780 3.0718 3.0718 3.2071 3.2071 3.2463 3.2463 10.1564 10.1564 12.4604 12.4604 12.6383 12.6383 16.0981 16.0981 k = 0.0648-0.0374 0.0529 ( 2089 PWs) bands (ev): -15.9676 -15.9676 -15.3719 -15.3719 -10.7094 -10.7094 -10.7058 -10.7058 -8.1934 -8.1934 -8.1502 -8.1502 -8.1467 -8.1467 0.4341 0.4341 2.5726 2.5726 2.5971 2.5971 2.6868 2.6868 3.0863 3.0863 3.2142 3.2142 3.2688 3.2688 10.1529 10.1529 12.4175 12.4175 12.6513 12.6513 16.1906 16.1906 k = 0.0741-0.0428 0.0605 ( 2093 PWs) bands (ev): -15.9643 -15.9643 -15.3749 -15.3749 -10.7090 -10.7090 -10.7044 -10.7044 -8.1915 -8.1915 -8.1500 -8.1500 -8.1454 -8.1454 0.4029 0.4029 2.5514 2.5514 2.5804 2.5804 2.6970 2.6970 3.1013 3.1013 3.2220 3.2220 3.2948 3.2948 10.1481 10.1481 12.3723 12.3723 12.6662 12.6662 16.2919 16.2919 k = 0.0833-0.0481 0.0680 ( 2093 PWs) bands (ev): -15.9607 -15.9607 -15.3783 -15.3783 -10.7086 -10.7086 -10.7028 -10.7028 -8.1894 -8.1894 -8.1498 -8.1498 -8.1440 -8.1440 0.3685 0.3685 2.5284 2.5284 2.5621 2.5621 2.7084 2.7084 3.1164 3.1164 3.2304 3.2304 3.3243 3.3243 10.1420 10.1420 12.3261 12.3261 12.6828 12.6828 16.4000 16.4000 k = 0.0926-0.0535 0.0756 ( 2085 PWs) bands (ev): -15.9566 -15.9566 -15.3820 -15.3820 -10.7081 -10.7081 -10.7010 -10.7010 -8.1871 -8.1871 -8.1495 -8.1495 -8.1423 -8.1423 0.3313 0.3313 2.5039 2.5039 2.5422 2.5422 2.7212 2.7212 3.1314 3.1314 3.2394 3.2394 3.3572 3.3572 10.1343 10.1343 12.2800 12.2800 12.7010 12.7010 16.5128 16.5128 k = 0.1019-0.0588 0.0832 ( 2085 PWs) bands (ev): -15.9521 -15.9521 -15.3861 -15.3861 -10.7076 -10.7076 -10.6991 -10.6991 -8.1846 -8.1846 -8.1493 -8.1493 -8.1405 -8.1405 0.2914 0.2914 2.4780 2.4780 2.5209 2.5209 2.7351 2.7351 3.1462 3.1462 3.2488 3.2488 3.3931 3.3931 10.1247 10.1247 12.2350 12.2350 12.7209 12.7209 16.6279 16.6279 k = 0.1111-0.0642 0.0907 ( 2085 PWs) bands (ev): -15.9474 -15.9474 -15.3904 -15.3904 -10.7071 -10.7071 -10.6970 -10.6970 -8.1820 -8.1820 -8.1490 -8.1490 -8.1385 -8.1385 0.2493 0.2493 2.4509 2.4509 2.4984 2.4984 2.7503 2.7503 3.1608 3.1608 3.2586 3.2586 3.4317 3.4317 10.1129 10.1129 12.1920 12.1920 12.7422 12.7422 16.7424 16.7424 k = 0.1204-0.0695 0.0983 ( 2093 PWs) bands (ev): -15.9422 -15.9422 -15.3952 -15.3952 -10.7065 -10.7065 -10.6947 -10.6947 -8.1792 -8.1792 -8.1487 -8.1487 -8.1363 -8.1363 0.2051 0.2051 2.4227 2.4227 2.4747 2.4747 2.7666 2.7666 3.1751 3.1751 3.2687 3.2687 3.4728 3.4728 10.0989 10.0989 12.1517 12.1517 12.7649 12.7649 16.8526 16.8526 k = 0.1296-0.0748 0.1058 ( 2097 PWs) bands (ev): -15.9367 -15.9367 -15.4002 -15.4002 -10.7059 -10.7059 -10.6924 -10.6924 -8.1763 -8.1763 -8.1484 -8.1484 -8.1339 -8.1339 0.1592 0.1592 2.3935 2.3935 2.4500 2.4500 2.7839 2.7839 3.1891 3.1891 3.2790 3.2790 3.5161 3.5161 10.0825 10.0825 12.1149 12.1149 12.7889 12.7889 16.9543 16.9543 k = 0.1389-0.0802 0.1134 ( 2089 PWs) bands (ev): -15.9309 -15.9309 -15.4054 -15.4054 -10.7053 -10.7053 -10.6899 -10.6899 -8.1733 -8.1733 -8.1480 -8.1480 -8.1314 -8.1314 0.1119 0.1119 2.3636 2.3636 2.4244 2.4244 2.8024 2.8024 3.2030 3.2030 3.2896 3.2896 3.5612 3.5612 10.0635 10.0635 12.0819 12.0819 12.8140 12.8140 17.0424 17.0424 k = 0.1481-0.0855 0.1210 ( 2085 PWs) bands (ev): -15.9247 -15.9247 -15.4109 -15.4109 -10.7046 -10.7046 -10.6873 -10.6873 -8.1702 -8.1702 -8.1476 -8.1476 -8.1286 -8.1286 0.0632 0.0632 2.3328 2.3328 2.3980 2.3980 2.8218 2.8218 3.2166 3.2166 3.3003 3.3003 3.6080 3.6080 10.0420 10.0420 12.0531 12.0531 12.8402 12.8402 17.1112 17.1112 k = 0.1574-0.0909 0.1285 ( 2085 PWs) bands (ev): -15.9183 -15.9183 -15.4166 -15.4166 -10.7038 -10.7038 -10.6846 -10.6846 -8.1670 -8.1670 -8.1472 -8.1472 -8.1256 -8.1256 0.0136 0.0136 2.3015 2.3015 2.3708 2.3708 2.8422 2.8422 3.2300 3.2300 3.3111 3.3111 3.6561 3.6561 10.0178 10.0178 12.0287 12.0287 12.8673 12.8673 17.1554 17.1554 k = 0.1667-0.0962 0.1361 ( 2097 PWs) bands (ev): -15.9116 -15.9116 -15.4226 -15.4226 -10.7031 -10.7031 -10.6818 -10.6818 -8.1638 -8.1638 -8.1468 -8.1468 -8.1224 -8.1224 -0.0369 -0.0369 2.2697 2.2697 2.3431 2.3431 2.8635 2.8635 3.2432 3.2432 3.3220 3.3220 3.7053 3.7053 9.9912 9.9912 12.0089 12.0089 12.8953 12.8953 17.1711 17.1711 k = 0.1759-0.1016 0.1436 ( 2089 PWs) bands (ev): -15.9047 -15.9047 -15.4287 -15.4287 -10.7023 -10.7023 -10.6789 -10.6789 -8.1606 -8.1606 -8.1464 -8.1464 -8.1191 -8.1191 -0.0880 -0.0880 2.2374 2.2374 2.3149 2.3149 2.8856 2.8856 3.2563 3.2563 3.3331 3.3331 3.7555 3.7555 9.9623 9.9623 11.9936 11.9936 12.9239 12.9239 17.1575 17.1575 k = 0.1852-0.1069 0.1512 ( 2089 PWs) bands (ev): -15.8976 -15.8976 -15.4350 -15.4350 -10.7015 -10.7015 -10.6759 -10.6759 -8.1574 -8.1574 -8.1460 -8.1460 -8.1155 -8.1155 -0.1394 -0.1394 2.2048 2.2048 2.2862 2.2862 2.9085 2.9085 3.2691 3.2691 3.3441 3.3441 3.8063 3.8063 9.9314 9.9314 11.9827 11.9827 12.9531 12.9531 17.1165 17.1165 k = 0.1944-0.1123 0.1588 ( 2073 PWs) bands (ev): -15.8902 -15.8902 -15.4414 -15.4414 -10.7007 -10.7007 -10.6729 -10.6729 -8.1541 -8.1541 -8.1455 -8.1455 -8.1118 -8.1118 -0.1911 -0.1911 2.1721 2.1721 2.2573 2.2573 2.9321 2.9321 3.2818 3.2818 3.3551 3.3551 3.8578 3.8578 9.8986 9.8986 11.9761 11.9761 12.9827 12.9827 17.0521 17.0521 k = 0.2037-0.1176 0.1663 ( 2073 PWs) bands (ev): -15.8827 -15.8827 -15.4480 -15.4480 -10.6999 -10.6999 -10.6698 -10.6698 -8.1509 -8.1509 -8.1451 -8.1451 -8.1079 -8.1079 -0.2429 -0.2429 2.1392 2.1392 2.2282 2.2282 2.9564 2.9564 3.2944 3.2944 3.3662 3.3662 3.9096 3.9096 9.8642 9.8642 11.9734 11.9734 13.0127 13.0127 16.9690 16.9690 k = 0.2130-0.1230 0.1739 ( 2073 PWs) bands (ev): -15.8750 -15.8750 -15.4547 -15.4547 -10.6990 -10.6990 -10.6667 -10.6667 -8.1478 -8.1478 -8.1446 -8.1446 -8.1038 -8.1038 -0.2946 -0.2946 2.1063 2.1063 2.1989 2.1989 2.9812 2.9812 3.3067 3.3067 3.3772 3.3772 3.9617 3.9617 9.8287 9.8287 11.9744 11.9744 13.0429 13.0429 16.8715 16.8715 k = 0.2222-0.1283 0.1814 ( 2077 PWs) bands (ev): -15.8672 -15.8672 -15.4614 -15.4614 -10.6982 -10.6982 -10.6636 -10.6636 -8.1446 -8.1446 -8.1442 -8.1442 -8.0996 -8.0996 -0.3460 -0.3460 2.0735 2.0735 2.1696 2.1696 3.0064 3.0064 3.3189 3.3189 3.3881 3.3881 4.0138 4.0138 9.7923 9.7923 11.9787 11.9787 13.0732 13.0732 16.7635 16.7635 k = 0.2315-0.1336 0.1890 ( 2073 PWs) bands (ev): -15.8593 -15.8593 -15.4682 -15.4682 -10.6973 -10.6973 -10.6604 -10.6604 -8.1437 -8.1437 -8.1416 -8.1416 -8.0953 -8.0953 -0.3970 -0.3970 2.0408 2.0408 2.1403 2.1403 3.0321 3.0321 3.3309 3.3309 3.3989 3.3989 4.0658 4.0658 9.7553 9.7553 11.9861 11.9861 13.1035 13.1035 16.6479 16.6479 k = 0.2407-0.1390 0.1966 ( 2085 PWs) bands (ev): -15.8514 -15.8514 -15.4750 -15.4750 -10.6965 -10.6965 -10.6573 -10.6573 -8.1433 -8.1433 -8.1386 -8.1386 -8.0909 -8.0909 -0.4475 -0.4475 2.0084 2.0084 2.1112 2.1112 3.0581 3.0581 3.3427 3.3427 3.4097 3.4097 4.1177 4.1177 9.7181 9.7181 11.9962 11.9962 13.1337 13.1337 16.5270 16.5270 k = 0.2500-0.1443 0.2041 ( 2085 PWs) bands (ev): -15.8434 -15.8434 -15.4818 -15.4818 -10.6956 -10.6956 -10.6541 -10.6541 -8.1428 -8.1428 -8.1356 -8.1356 -8.0864 -8.0864 -0.4973 -0.4973 1.9763 1.9763 2.0823 2.0823 3.0844 3.0844 3.3543 3.3543 3.4203 3.4203 4.1692 4.1692 9.6810 9.6810 12.0087 12.0087 13.1636 13.1636 16.4025 16.4025 k = 0.2593-0.1497 0.2117 ( 2085 PWs) bands (ev): -15.8353 -15.8353 -15.4886 -15.4886 -10.6948 -10.6948 -10.6510 -10.6510 -8.1424 -8.1424 -8.1327 -8.1327 -8.0818 -8.0818 -0.5463 -0.5463 1.9446 1.9446 2.0536 2.0536 3.1108 3.1108 3.3657 3.3657 3.4308 3.4308 4.2202 4.2202 9.6443 9.6443 12.0231 12.0231 13.1932 13.1932 16.2759 16.2759 k = 0.2685-0.1550 0.2192 ( 2077 PWs) bands (ev): -15.8273 -15.8273 -15.4954 -15.4954 -10.6939 -10.6939 -10.6479 -10.6479 -8.1419 -8.1419 -8.1299 -8.1299 -8.0772 -8.0772 -0.5944 -0.5944 1.9134 1.9134 2.0254 2.0254 3.1373 3.1373 3.3768 3.3768 3.4411 3.4411 4.2707 4.2707 9.6081 9.6081 12.0393 12.0393 13.2224 13.2224 16.1484 16.1484 k = 0.2778-0.1604 0.2268 ( 2069 PWs) bands (ev): -15.8193 -15.8193 -15.5020 -15.5020 -10.6930 -10.6930 -10.6448 -10.6448 -8.1414 -8.1414 -8.1271 -8.1271 -8.0726 -8.0726 -0.6415 -0.6415 1.8828 1.8828 1.9976 1.9976 3.1638 3.1638 3.3877 3.3877 3.4512 3.4512 4.3204 4.3204 9.5728 9.5728 12.0570 12.0570 13.2511 13.2511 16.0207 16.0207 k = 0.2870-0.1657 0.2344 ( 2081 PWs) bands (ev): -15.8114 -15.8114 -15.5087 -15.5087 -10.6922 -10.6922 -10.6417 -10.6417 -8.1410 -8.1410 -8.1244 -8.1244 -8.0680 -8.0680 -0.6875 -0.6875 1.8529 1.8529 1.9703 1.9703 3.1901 3.1901 3.3984 3.3984 3.4611 3.4611 4.3693 4.3693 9.5386 9.5386 12.0758 12.0758 13.2791 13.2791 15.8936 15.8936 k = 0.2963-0.1711 0.2419 ( 2081 PWs) bands (ev): -15.8036 -15.8036 -15.5152 -15.5152 -10.6914 -10.6914 -10.6387 -10.6387 -8.1406 -8.1406 -8.1218 -8.1218 -8.0634 -8.0634 -0.7323 -0.7323 1.8237 1.8237 1.9437 1.9437 3.2163 3.2163 3.4087 3.4087 3.4708 3.4708 4.4171 4.4171 9.5055 9.5055 12.0955 12.0955 13.3065 13.3065 15.7678 15.7678 k = 0.3056-0.1764 0.2495 ( 2080 PWs) bands (ev): -15.7958 -15.7958 -15.5215 -15.5215 -10.6906 -10.6906 -10.6358 -10.6358 -8.1401 -8.1401 -8.1192 -8.1192 -8.0589 -8.0589 -0.7757 -0.7757 1.7952 1.7952 1.9177 1.9177 3.2421 3.2421 3.4188 3.4188 3.4803 3.4803 4.4639 4.4639 9.4739 9.4739 12.1159 12.1159 13.3331 13.3331 15.6439 15.6439 k = 0.3148-0.1818 0.2570 ( 2080 PWs) bands (ev): -15.7882 -15.7882 -15.5277 -15.5277 -10.6898 -10.6898 -10.6330 -10.6330 -8.1397 -8.1397 -8.1168 -8.1168 -8.0544 -8.0544 -0.8178 -0.8178 1.7677 1.7677 1.8925 1.8925 3.2676 3.2676 3.4285 3.4285 3.4894 3.4894 4.5095 4.5095 9.4437 9.4437 12.1368 12.1368 13.3589 13.3589 15.5223 15.5223 k = 0.3241-0.1871 0.2646 ( 2080 PWs) bands (ev): -15.7808 -15.7808 -15.5338 -15.5338 -10.6891 -10.6891 -10.6302 -10.6302 -8.1393 -8.1393 -8.1144 -8.1144 -8.0500 -8.0500 -0.8583 -0.8583 1.7410 1.7410 1.8680 1.8680 3.2926 3.2926 3.4380 3.4380 3.4983 3.4983 4.5537 4.5537 9.4151 9.4151 12.1580 12.1580 13.3838 13.3838 15.4034 15.4034 k = 0.3333-0.1925 0.2722 ( 2080 PWs) bands (ev): -15.7736 -15.7736 -15.5396 -15.5396 -10.6883 -10.6883 -10.6276 -10.6276 -8.1389 -8.1389 -8.1121 -8.1121 -8.0458 -8.0458 -0.8972 -0.8972 1.7154 1.7154 1.8445 1.8445 3.3170 3.3170 3.4471 3.4471 3.5069 3.5069 4.5965 4.5965 9.3883 9.3883 12.1793 12.1793 13.4077 13.4077 15.2876 15.2876 k = 0.3426-0.1978 0.2797 ( 2084 PWs) bands (ev): -15.7666 -15.7666 -15.5453 -15.5453 -10.6876 -10.6876 -10.6250 -10.6250 -8.1386 -8.1386 -8.1099 -8.1099 -8.0417 -8.0417 -0.9345 -0.9345 1.6907 1.6907 1.8218 1.8218 3.3407 3.3407 3.4558 3.4558 3.5151 3.5151 4.6377 4.6377 9.3631 9.3631 12.2006 12.2006 13.4306 13.4306 15.1754 15.1754 k = 0.3519-0.2031 0.2873 ( 2100 PWs) bands (ev): -15.7599 -15.7599 -15.5507 -15.5507 -10.6870 -10.6870 -10.6226 -10.6226 -8.1382 -8.1382 -8.1078 -8.1078 -8.0377 -8.0377 -0.9701 -0.9701 1.6672 1.6672 1.8001 1.8001 3.3637 3.3637 3.4641 3.4641 3.5230 3.5230 4.6772 4.6772 9.3397 9.3397 12.2217 12.2217 13.4524 13.4524 15.0671 15.0671 k = 0.3611-0.2085 0.2948 ( 2100 PWs) bands (ev): -15.7534 -15.7534 -15.5559 -15.5559 -10.6863 -10.6863 -10.6203 -10.6203 -8.1379 -8.1379 -8.1058 -8.1058 -8.0339 -8.0339 -1.0038 -1.0038 1.6449 1.6449 1.7795 1.7795 3.3858 3.3858 3.4720 3.4720 3.5305 3.5305 4.7149 4.7149 9.3182 9.3182 12.2425 12.2425 13.4731 13.4731 14.9630 14.9630 k = 0.3704-0.2138 0.3024 ( 2104 PWs) bands (ev): -15.7473 -15.7473 -15.5608 -15.5608 -10.6857 -10.6857 -10.6180 -10.6180 -8.1376 -8.1376 -8.1039 -8.1039 -8.0303 -8.0303 -1.0357 -1.0357 1.6237 1.6237 1.7600 1.7600 3.4070 3.4070 3.4795 3.4795 3.5376 3.5376 4.7508 4.7508 9.2983 9.2983 12.2628 12.2628 13.4926 13.4926 14.8634 14.8634 k = 0.3796-0.2192 0.3100 ( 2104 PWs) bands (ev): -15.7414 -15.7414 -15.5655 -15.5655 -10.6851 -10.6851 -10.6159 -10.6159 -8.1373 -8.1373 -8.1021 -8.1021 -8.0268 -8.0268 -1.0657 -1.0657 1.6038 1.6038 1.7416 1.7416 3.4271 3.4271 3.4866 3.4866 3.5444 3.5444 4.7846 4.7846 9.2803 9.2803 12.2825 12.2825 13.5109 13.5109 14.7688 14.7688 k = 0.3889-0.2245 0.3175 ( 2104 PWs) bands (ev): -15.7359 -15.7359 -15.5699 -15.5699 -10.6846 -10.6846 -10.6140 -10.6140 -8.1370 -8.1370 -8.1004 -8.1004 -8.0235 -8.0235 -1.0936 -1.0936 1.5853 1.5853 1.7243 1.7243 3.4461 3.4461 3.4932 3.4932 3.5507 3.5507 4.8163 4.8163 9.2640 9.2640 12.3015 12.3015 13.5280 13.5280 14.6793 14.6793 k = 0.3981-0.2299 0.3251 ( 2096 PWs) bands (ev): -15.7307 -15.7307 -15.5739 -15.5739 -10.6840 -10.6840 -10.6121 -10.6121 -8.1367 -8.1367 -8.0988 -8.0988 -8.0205 -8.0205 -1.1196 -1.1196 1.5680 1.5680 1.7083 1.7083 3.4639 3.4639 3.4994 3.4994 3.5565 3.5565 4.8459 4.8459 9.2494 9.2494 12.3197 12.3197 13.5438 13.5438 14.5954 14.5954 k = 0.4074-0.2352 0.3326 ( 2100 PWs) bands (ev): -15.7260 -15.7260 -15.5777 -15.5777 -10.6836 -10.6836 -10.6104 -10.6104 -8.1365 -8.1365 -8.0973 -8.0973 -8.0176 -8.0176 -1.1434 -1.1434 1.5521 1.5521 1.6936 1.6936 3.4804 3.4804 3.5051 3.5051 3.5619 3.5619 4.8732 4.8732 9.2364 9.2364 12.3369 12.3369 13.5584 13.5584 14.5174 14.5174 k = 0.4167-0.2406 0.3402 ( 2100 PWs) bands (ev): -15.7216 -15.7216 -15.5811 -15.5811 -10.6832 -10.6832 -10.6089 -10.6089 -8.1363 -8.1363 -8.0960 -8.0960 -8.0151 -8.0151 -1.1651 -1.1651 1.5377 1.5377 1.6802 1.6802 3.4956 3.4956 3.5102 3.5102 3.5669 3.5669 4.8981 4.8981 9.2249 9.2249 12.3531 12.3531 13.5716 13.5716 14.4455 14.4455 k = 0.4259-0.2459 0.3478 ( 2100 PWs) bands (ev): -15.7176 -15.7176 -15.5842 -15.5842 -10.6828 -10.6828 -10.6075 -10.6075 -8.1361 -8.1361 -8.0948 -8.0948 -8.0127 -8.0127 -1.1846 -1.1846 1.5246 1.5246 1.6681 1.6681 3.5094 3.5094 3.5149 3.5149 3.5713 3.5713 4.9206 4.9206 9.2150 9.2150 12.3680 12.3680 13.5835 13.5835 14.3801 14.3801 k = 0.4352-0.2513 0.3553 ( 2096 PWs) bands (ev): -15.7141 -15.7141 -15.5870 -15.5870 -10.6824 -10.6824 -10.6062 -10.6062 -8.1359 -8.1359 -8.0937 -8.0937 -8.0107 -8.0107 -1.2019 -1.2019 1.5131 1.5131 1.6573 1.6573 3.5190 3.5190 3.5218 3.5218 3.5753 3.5753 4.9406 4.9406 9.2065 9.2065 12.3817 12.3817 13.5940 13.5940 14.3215 14.3215 k = 0.4444-0.2566 0.3629 ( 2088 PWs) bands (ev): -15.7110 -15.7110 -15.5894 -15.5894 -10.6821 -10.6821 -10.6051 -10.6051 -8.1357 -8.1357 -8.0928 -8.0928 -8.0088 -8.0088 -1.2170 -1.2170 1.5030 1.5030 1.6479 1.6479 3.5227 3.5227 3.5326 3.5326 3.5787 3.5787 4.9581 4.9581 9.1992 9.1992 12.3938 12.3938 13.6031 13.6031 14.2699 14.2699 k = 0.4537-0.2619 0.3704 ( 2080 PWs) bands (ev): -15.7083 -15.7083 -15.5914 -15.5914 -10.6818 -10.6818 -10.6042 -10.6042 -8.1356 -8.1356 -8.0920 -8.0920 -8.0073 -8.0073 -1.2298 -1.2298 1.4945 1.4945 1.6400 1.6400 3.5258 3.5258 3.5418 3.5418 3.5817 3.5817 4.9729 4.9729 9.1933 9.1933 12.4044 12.4044 13.6109 13.6109 14.2258 14.2258 k = 0.4630-0.2673 0.3780 ( 2092 PWs) bands (ev): -15.7062 -15.7062 -15.5931 -15.5931 -10.6816 -10.6816 -10.6035 -10.6035 -8.1355 -8.1355 -8.0914 -8.0914 -8.0060 -8.0060 -1.2403 -1.2403 1.4874 1.4874 1.6334 1.6334 3.5283 3.5283 3.5494 3.5494 3.5841 3.5841 4.9851 4.9851 9.1885 9.1885 12.4133 12.4133 13.6172 13.6172 14.1892 14.1892 k = 0.4722-0.2726 0.3856 ( 2092 PWs) bands (ev): -15.7045 -15.7045 -15.5944 -15.5944 -10.6814 -10.6814 -10.6029 -10.6029 -8.1354 -8.1354 -8.0909 -8.0909 -8.0050 -8.0050 -1.2485 -1.2485 1.4819 1.4819 1.6283 1.6283 3.5303 3.5303 3.5553 3.5553 3.5859 3.5859 4.9947 4.9947 9.1849 9.1849 12.4203 12.4203 13.6222 13.6222 14.1606 14.1606 k = 0.4815-0.2780 0.3931 ( 2100 PWs) bands (ev): -15.7033 -15.7033 -15.5954 -15.5954 -10.6813 -10.6813 -10.6025 -10.6025 -8.1354 -8.1354 -8.0905 -8.0905 -8.0043 -8.0043 -1.2543 -1.2543 1.4780 1.4780 1.6246 1.6246 3.5317 3.5317 3.5596 3.5596 3.5873 3.5873 5.0015 5.0015 9.1823 9.1823 12.4254 12.4254 13.6257 13.6257 14.1399 14.1399 k = 0.4907-0.2833 0.4007 ( 2100 PWs) bands (ev): -15.7025 -15.7025 -15.5960 -15.5960 -10.6813 -10.6813 -10.6022 -10.6022 -8.1353 -8.1353 -8.0903 -8.0903 -8.0039 -8.0039 -1.2579 -1.2579 1.4756 1.4756 1.6224 1.6224 3.5325 3.5325 3.5622 3.5622 3.5881 3.5881 5.0056 5.0056 9.1808 9.1808 12.4285 12.4285 13.6278 13.6278 14.1275 14.1275 k = 0.5000-0.2887 0.4082 ( 2100 PWs) bands (ev): -15.7023 -15.7023 -15.5962 -15.5962 -10.6812 -10.6812 -10.6022 -10.6022 -8.1353 -8.1353 -8.0902 -8.0902 -8.0037 -8.0037 -1.2590 -1.2590 1.4749 1.4749 1.6217 1.6217 3.5328 3.5328 3.5630 3.5630 3.5883 3.5883 5.0070 5.0070 9.1803 9.1803 12.4296 12.4296 13.6286 13.6286 14.1233 14.1233 k = 0.5000-0.2887 0.4082 ( 2100 PWs) bands (ev): -15.7023 -15.7023 -15.5962 -15.5962 -10.6812 -10.6812 -10.6022 -10.6022 -8.1353 -8.1353 -8.0902 -8.0902 -8.0037 -8.0037 -1.2590 -1.2590 1.4749 1.4749 1.6217 1.6217 3.5328 3.5328 3.5630 3.5630 3.5883 3.5883 5.0070 5.0070 9.1803 9.1803 12.4296 12.4296 13.6286 13.6286 14.1233 14.1233 k = 0.5000-0.2780 0.4158 ( 2100 PWs) bands (ev): -15.7022 -15.7022 -15.5963 -15.5963 -10.6812 -10.6812 -10.6022 -10.6022 -8.1353 -8.1353 -8.0902 -8.0902 -8.0038 -8.0038 -1.2589 -1.2589 1.4752 1.4752 1.6221 1.6221 3.5315 3.5315 3.5629 3.5629 3.5875 3.5875 5.0075 5.0075 9.1829 9.1829 12.4278 12.4278 13.6229 13.6229 14.1294 14.1294 k = 0.5000-0.2673 0.4234 ( 2100 PWs) bands (ev): -15.7019 -15.7019 -15.5965 -15.5965 -10.6811 -10.6811 -10.6024 -10.6024 -8.1351 -8.1351 -8.0901 -8.0901 -8.0041 -8.0041 -1.2584 -1.2584 1.4763 1.4763 1.6233 1.6233 3.5274 3.5274 3.5621 3.5621 3.5855 3.5855 5.0090 5.0090 9.1907 9.1907 12.4225 12.4225 13.6068 13.6068 14.1470 14.1470 k = 0.5000-0.2566 0.4309 ( 2096 PWs) bands (ev): -15.7015 -15.7015 -15.5970 -15.5970 -10.6808 -10.6808 -10.6026 -10.6026 -8.1349 -8.1349 -8.0900 -8.0900 -8.0045 -8.0045 -1.2577 -1.2577 1.4779 1.4779 1.6257 1.6257 3.5201 3.5201 3.5598 3.5598 3.5838 3.5838 5.0115 5.0115 9.2036 9.2036 12.4137 12.4137 13.5817 13.5817 14.1744 14.1744 k = 0.5000-0.2459 0.4385 ( 2092 PWs) bands (ev): -15.7009 -15.7009 -15.5976 -15.5976 -10.6805 -10.6805 -10.6030 -10.6030 -8.1345 -8.1345 -8.0899 -8.0899 -8.0051 -8.0051 -1.2566 -1.2566 1.4797 1.4797 1.6295 1.6295 3.5087 3.5087 3.5557 3.5557 3.5834 3.5834 5.0150 5.0150 9.2215 9.2215 12.4016 12.4016 13.5496 13.5496 14.2100 14.2100 k = 0.5000-0.2352 0.4460 ( 2092 PWs) bands (ev): -15.7001 -15.7001 -15.5984 -15.5984 -10.6800 -10.6800 -10.6034 -10.6034 -8.1340 -8.1340 -8.0897 -8.0897 -8.0059 -8.0059 -1.2553 -1.2553 1.4811 1.4811 1.6353 1.6353 3.4925 3.4925 3.5507 3.5507 3.5845 3.5845 5.0193 5.0193 9.2443 9.2443 12.3862 12.3862 13.5121 13.5121 14.2519 14.2519 k = 0.5000-0.2245 0.4536 ( 2096 PWs) bands (ev): -15.6991 -15.6991 -15.5994 -15.5994 -10.6795 -10.6795 -10.6040 -10.6040 -8.1335 -8.1335 -8.0894 -8.0894 -8.0068 -8.0068 -1.2537 -1.2537 1.4818 1.4818 1.6435 1.6435 3.4712 3.4712 3.5458 3.5458 3.5864 3.5864 5.0245 5.0245 9.2717 9.2717 12.3678 12.3678 13.4706 13.4706 14.2989 14.2989 k = 0.5000-0.2138 0.4612 ( 2096 PWs) bands (ev): -15.6980 -15.6980 -15.6005 -15.6005 -10.6789 -10.6789 -10.6046 -10.6046 -8.1329 -8.1329 -8.0891 -8.0891 -8.0079 -8.0079 -1.2519 -1.2519 1.4814 1.4814 1.6546 1.6546 3.4452 3.4452 3.5414 3.5414 3.5887 3.5887 5.0304 5.0304 9.3035 9.3035 12.3464 12.3464 13.4262 13.4262 14.3502 14.3502 k = 0.5000-0.2031 0.4687 ( 2100 PWs) bands (ev): -15.6967 -15.6967 -15.6018 -15.6018 -10.6782 -10.6782 -10.6054 -10.6054 -8.1322 -8.1322 -8.0888 -8.0888 -8.0092 -8.0092 -1.2498 -1.2498 1.4796 1.4796 1.6688 1.6688 3.4147 3.4147 3.5374 3.5374 3.5913 3.5913 5.0370 5.0370 9.3395 9.3395 12.3221 12.3221 13.3796 13.3796 14.4049 14.4049 k = 0.5000-0.1925 0.4763 ( 2098 PWs) bands (ev): -15.6952 -15.6952 -15.6033 -15.6033 -10.6775 -10.6775 -10.6062 -10.6062 -8.1314 -8.1314 -8.0884 -8.0884 -8.0105 -8.0105 -1.2476 -1.2476 1.4764 1.4764 1.6863 1.6863 3.3804 3.3804 3.5337 3.5337 3.5939 3.5939 5.0441 5.0441 9.3794 9.3794 12.2953 12.2953 13.3317 13.3317 14.4626 14.4626 k = 0.5000-0.1818 0.4838 ( 2108 PWs) bands (ev): -15.6937 -15.6937 -15.6050 -15.6050 -10.6766 -10.6766 -10.6071 -10.6071 -8.1306 -8.1306 -8.0879 -8.0879 -8.0121 -8.0121 -1.2452 -1.2452 1.4719 1.4719 1.7071 1.7071 3.3425 3.3425 3.5302 3.5302 3.5966 3.5966 5.0517 5.0517 9.4227 9.4227 12.2658 12.2658 13.2830 13.2830 14.5226 14.5226 k = 0.5000-0.1711 0.4914 ( 2108 PWs) bands (ev): -15.6919 -15.6919 -15.6067 -15.6067 -10.6757 -10.6757 -10.6081 -10.6081 -8.1297 -8.1297 -8.0873 -8.0873 -8.0137 -8.0137 -1.2427 -1.2427 1.4663 1.4663 1.7311 1.7311 3.3014 3.3014 3.5270 3.5270 3.5992 3.5992 5.0597 5.0597 9.4692 9.4692 12.2339 12.2339 13.2342 13.2342 14.5847 14.5847 k = 0.5000-0.1604 0.4990 ( 2108 PWs) bands (ev): -15.6900 -15.6900 -15.6087 -15.6087 -10.6748 -10.6748 -10.6091 -10.6091 -8.1288 -8.1288 -8.0867 -8.0867 -8.0154 -8.0154 -1.2400 -1.2400 1.4597 1.4597 1.7580 1.7580 3.2574 3.2574 3.5240 3.5240 3.6018 3.6018 5.0679 5.0679 9.5184 9.5184 12.1997 12.1997 13.1858 13.1858 14.6482 14.6482 k = 0.5000-0.1497 0.5065 ( 2112 PWs) bands (ev): -15.6880 -15.6880 -15.6107 -15.6107 -10.6738 -10.6738 -10.6102 -10.6102 -8.1279 -8.1279 -8.0860 -8.0860 -8.0173 -8.0173 -1.2373 -1.2373 1.4525 1.4525 1.7878 1.7878 3.2109 3.2109 3.5212 3.5212 3.6042 3.6042 5.0763 5.0763 9.5700 9.5700 12.1633 12.1633 13.1385 13.1385 14.7126 14.7126 k = 0.5000-0.1390 0.5141 ( 2110 PWs) bands (ev): -15.6858 -15.6858 -15.6129 -15.6129 -10.6727 -10.6727 -10.6114 -10.6114 -8.1270 -8.1270 -8.0852 -8.0852 -8.0192 -8.0192 -1.2346 -1.2346 1.4448 1.4448 1.8203 1.8203 3.1621 3.1621 3.5186 3.5186 3.6066 3.6066 5.0847 5.0847 9.6233 9.6233 12.1249 12.1249 13.0927 13.0927 14.7776 14.7776 k = 0.5000-0.1283 0.5217 ( 2114 PWs) bands (ev): -15.6835 -15.6835 -15.6153 -15.6153 -10.6716 -10.6716 -10.6125 -10.6125 -8.1261 -8.1261 -8.0844 -8.0844 -8.0212 -8.0212 -1.2318 -1.2318 1.4369 1.4369 1.8553 1.8553 3.1113 3.1113 3.5161 3.5161 3.6088 3.6088 5.0929 5.0929 9.6780 9.6780 12.0847 12.0847 13.0490 13.0490 14.8424 14.8424 k = 0.5000-0.1176 0.5292 ( 2110 PWs) bands (ev): -15.6811 -15.6811 -15.6177 -15.6177 -10.6705 -10.6705 -10.6137 -10.6137 -8.1252 -8.1252 -8.0834 -8.0834 -8.0232 -8.0232 -1.2291 -1.2291 1.4288 1.4288 1.8927 1.8927 3.0589 3.0589 3.5138 3.5138 3.6109 3.6109 5.1010 5.1010 9.7334 9.7334 12.0430 12.0430 13.0078 13.0078 14.9064 14.9064 k = 0.5000-0.1069 0.5368 ( 2118 PWs) bands (ev): -15.6786 -15.6786 -15.6202 -15.6202 -10.6694 -10.6694 -10.6149 -10.6149 -8.1244 -8.1244 -8.0824 -8.0824 -8.0253 -8.0253 -1.2265 -1.2265 1.4210 1.4210 1.9323 1.9323 3.0049 3.0049 3.5117 3.5117 3.6129 3.6129 5.1088 5.1088 9.7889 9.7889 12.0003 12.0003 12.9695 12.9695 14.9691 14.9691 k = 0.5000-0.0962 0.5443 ( 2126 PWs) bands (ev): -15.6760 -15.6760 -15.6229 -15.6229 -10.6683 -10.6683 -10.6161 -10.6161 -8.1236 -8.1236 -8.0814 -8.0814 -8.0274 -8.0274 -1.2240 -1.2240 1.4133 1.4133 1.9740 1.9740 2.9498 2.9498 3.5098 3.5098 3.6146 3.6146 5.1161 5.1161 9.8438 9.8438 11.9570 11.9570 12.9344 12.9344 15.0296 15.0296 k = 0.5000-0.0855 0.5519 ( 2126 PWs) bands (ev): -15.6733 -15.6733 -15.6256 -15.6256 -10.6672 -10.6672 -10.6173 -10.6173 -8.1229 -8.1229 -8.0802 -8.0802 -8.0295 -8.0295 -1.2217 -1.2217 1.4061 1.4061 2.0177 2.0177 2.8939 2.8939 3.5081 3.5081 3.6163 3.6163 5.1230 5.1230 9.8973 9.8973 11.9138 11.9138 12.9028 12.9028 15.0871 15.0871 k = 0.5000-0.0748 0.5595 ( 2122 PWs) bands (ev): -15.6705 -15.6705 -15.6284 -15.6284 -10.6661 -10.6661 -10.6183 -10.6183 -8.1222 -8.1222 -8.0791 -8.0791 -8.0315 -8.0315 -1.2195 -1.2195 1.3994 1.3994 2.0632 2.0632 2.8373 2.8373 3.5066 3.5066 3.6177 3.6177 5.1292 5.1292 9.9484 9.9484 11.8717 11.8717 12.8747 12.8747 15.1408 15.1408 k = 0.5000-0.0642 0.5670 ( 2118 PWs) bands (ev): -15.6676 -15.6676 -15.6313 -15.6313 -10.6652 -10.6652 -10.6194 -10.6194 -8.1216 -8.1216 -8.0779 -8.0779 -8.0334 -8.0334 -1.2176 -1.2176 1.3935 1.3935 2.1103 2.1103 2.7803 2.7803 3.5053 3.5053 3.6190 3.6190 5.1348 5.1348 9.9963 9.9963 11.8315 11.8315 12.8504 12.8504 15.1899 15.1899 k = 0.5000-0.0535 0.5746 ( 2122 PWs) bands (ev): -15.6647 -15.6647 -15.6342 -15.6342 -10.6643 -10.6643 -10.6203 -10.6203 -8.1211 -8.1211 -8.0768 -8.0768 -8.0352 -8.0352 -1.2159 -1.2159 1.3882 1.3882 2.1588 2.1588 2.7233 2.7233 3.5041 3.5041 3.6201 3.6201 5.1397 5.1397 10.0397 10.0397 11.7945 11.7945 12.8298 12.8298 15.2333 15.2333 k = 0.5000-0.0428 0.5821 ( 2122 PWs) bands (ev): -15.6618 -15.6618 -15.6372 -15.6372 -10.6635 -10.6635 -10.6211 -10.6211 -8.1207 -8.1207 -8.0757 -8.0757 -8.0367 -8.0367 -1.2145 -1.2145 1.3838 1.3838 2.2085 2.2085 2.6666 2.6666 3.5032 3.5032 3.6209 3.6209 5.1437 5.1437 10.0776 10.0776 11.7617 11.7617 12.8129 12.8129 15.2703 15.2703 k = 0.5000-0.0321 0.5897 ( 2126 PWs) bands (ev): -15.6587 -15.6587 -15.6403 -15.6403 -10.6629 -10.6629 -10.6218 -10.6218 -8.1204 -8.1204 -8.0749 -8.0749 -8.0381 -8.0381 -1.2134 -1.2134 1.3803 1.3803 2.2587 2.2587 2.6107 2.6107 3.5025 3.5025 3.6217 3.6217 5.1469 5.1469 10.1086 10.1086 11.7345 11.7345 12.7999 12.7999 15.3000 15.3000 k = 0.5000-0.0214 0.5973 ( 2126 PWs) bands (ev): -15.6557 -15.6557 -15.6433 -15.6433 -10.6624 -10.6624 -10.6223 -10.6223 -8.1201 -8.1201 -8.0741 -8.0741 -8.0391 -8.0391 -1.2126 -1.2126 1.3777 1.3777 2.3084 2.3084 2.5570 2.5570 3.5019 3.5019 3.6222 3.6222 5.1493 5.1493 10.1318 10.1318 11.7141 11.7141 12.7906 12.7906 15.3218 15.3218 k = 0.5000-0.0107 0.6048 ( 2122 PWs) bands (ev): -15.6526 -15.6526 -15.6464 -15.6464 -10.6621 -10.6621 -10.6226 -10.6226 -8.1200 -8.1200 -8.0737 -8.0737 -8.0397 -8.0397 -1.2121 -1.2121 1.3762 1.3762 2.3536 2.3536 2.5094 2.5094 3.5016 3.5016 3.6225 3.6225 5.1507 5.1507 10.1461 10.1461 11.7014 11.7014 12.7850 12.7850 15.3351 15.3351 k = 0.5000-0.0000 0.6124 ( 2120 PWs) bands (ev): -15.6501 -15.6501 -15.6489 -15.6489 -10.6620 -10.6620 -10.6227 -10.6227 -8.1199 -8.1199 -8.0735 -8.0735 -8.0399 -8.0399 -1.2119 -1.2119 1.3757 1.3757 2.3770 2.3770 2.4853 2.4853 3.5015 3.5015 3.6226 3.6226 5.1511 5.1511 10.1510 10.1510 11.6971 11.6971 12.7832 12.7832 15.3396 15.3396 k = 0.5000-0.0000 0.6124 ( 2120 PWs) bands (ev): -15.6501 -15.6501 -15.6489 -15.6489 -10.6620 -10.6620 -10.6227 -10.6227 -8.1199 -8.1199 -8.0735 -8.0735 -8.0399 -8.0399 -1.2119 -1.2119 1.3757 1.3757 2.3770 2.3770 2.4853 2.4853 3.5015 3.5015 3.6226 3.6226 5.1511 5.1511 10.1510 10.1510 11.6971 11.6971 12.7832 12.7832 15.3396 15.3396 k = 0.4934 0.0114 0.6124 ( 2122 PWs) bands (ev): -15.6517 -15.6517 -15.6473 -15.6473 -10.6621 -10.6621 -10.6226 -10.6226 -8.1200 -8.1200 -8.0737 -8.0737 -8.0398 -8.0398 -1.2116 -1.2116 1.3765 1.3765 2.3639 2.3639 2.4985 2.4985 3.5013 3.5013 3.6221 3.6221 5.1508 5.1508 10.1486 10.1486 11.6988 11.6988 12.7852 12.7852 15.3382 15.3382 k = 0.4868 0.0228 0.6124 ( 2128 PWs) bands (ev): -15.6537 -15.6537 -15.6454 -15.6454 -10.6623 -10.6623 -10.6225 -10.6225 -8.1201 -8.1201 -8.0740 -8.0740 -8.0394 -8.0394 -1.2109 -1.2109 1.3788 1.3788 2.3347 2.3347 2.5284 2.5284 3.5008 3.5008 3.6206 3.6206 5.1499 5.1499 10.1417 10.1417 11.7035 11.7035 12.7913 12.7913 15.3338 15.3338 k = 0.4803 0.0342 0.6124 ( 2130 PWs) bands (ev): -15.6555 -15.6555 -15.6436 -15.6436 -10.6627 -10.6627 -10.6222 -10.6222 -8.1204 -8.1204 -8.0746 -8.0746 -8.0388 -8.0388 -1.2099 -1.2099 1.3828 1.3828 2.2997 2.2997 2.5643 2.5643 3.4998 3.4998 3.6182 3.6182 5.1484 5.1484 10.1308 10.1308 11.7107 11.7107 12.8015 12.8015 15.3264 15.3264 k = 0.4737 0.0456 0.6124 ( 2126 PWs) bands (ev): -15.6572 -15.6572 -15.6420 -15.6420 -10.6632 -10.6632 -10.6219 -10.6219 -8.1207 -8.1207 -8.0753 -8.0753 -8.0380 -8.0380 -1.2084 -1.2084 1.3883 1.3883 2.2626 2.2626 2.6027 2.6027 3.4985 3.4985 3.6148 3.6148 5.1466 5.1466 10.1165 10.1165 11.7197 11.7197 12.8160 12.8160 15.3160 15.3160 k = 0.4671 0.0570 0.6124 ( 2117 PWs) bands (ev): -15.6588 -15.6588 -15.6405 -15.6405 -10.6637 -10.6637 -10.6215 -10.6215 -8.1211 -8.1211 -8.0761 -8.0761 -8.0371 -8.0371 -1.2068 -1.2068 1.3955 1.3955 2.2246 2.2246 2.6420 2.6420 3.4966 3.4966 3.6106 3.6106 5.1444 5.1444 10.0995 10.0995 11.7299 11.7299 12.8344 12.8344 15.3025 15.3025 k = 0.4605 0.0684 0.6124 ( 2116 PWs) bands (ev): -15.6603 -15.6603 -15.6391 -15.6391 -10.6643 -10.6643 -10.6210 -10.6210 -8.1216 -8.1216 -8.0769 -8.0769 -8.0362 -8.0362 -1.2049 -1.2049 1.4043 1.4043 2.1863 2.1863 2.6817 2.6817 3.4942 3.4942 3.6056 3.6056 5.1420 5.1420 10.0804 10.0804 11.7407 11.7407 12.8566 12.8566 15.2861 15.2861 k = 0.4539 0.0798 0.6124 ( 2118 PWs) bands (ev): -15.6616 -15.6616 -15.6379 -15.6379 -10.6650 -10.6650 -10.6205 -10.6205 -8.1221 -8.1221 -8.0777 -8.0777 -8.0352 -8.0352 -1.2029 -1.2029 1.4146 1.4146 2.1481 2.1481 2.7213 2.7213 3.4912 3.4912 3.6000 3.6000 5.1394 5.1394 10.0599 10.0599 11.7516 11.7516 12.8822 12.8822 15.2672 15.2672 k = 0.4474 0.0912 0.6124 ( 2116 PWs) bands (ev): -15.6628 -15.6628 -15.6368 -15.6368 -10.6658 -10.6658 -10.6200 -10.6200 -8.1227 -8.1227 -8.0786 -8.0786 -8.0341 -8.0341 -1.2008 -1.2008 1.4265 1.4265 2.1101 2.1101 2.7605 2.7605 3.4873 3.4873 3.5939 3.5939 5.1367 5.1367 10.0387 10.0387 11.7621 11.7621 12.9106 12.9106 15.2459 15.2459 k = 0.4408 0.1026 0.6124 ( 2116 PWs) bands (ev): -15.6639 -15.6639 -15.6358 -15.6358 -10.6665 -10.6665 -10.6195 -10.6195 -8.1233 -8.1233 -8.0793 -8.0793 -8.0331 -8.0331 -1.1987 -1.1987 1.4398 1.4398 2.0727 2.0727 2.7989 2.7989 3.4826 3.4826 3.5876 3.5876 5.1339 5.1339 10.0173 10.0173 11.7720 11.7720 12.9413 12.9413 15.2229 15.2229 k = 0.4342 0.1140 0.6124 ( 2116 PWs) bands (ev): -15.6649 -15.6649 -15.6350 -15.6350 -10.6672 -10.6672 -10.6190 -10.6190 -8.1240 -8.1240 -8.0801 -8.0801 -8.0321 -8.0321 -1.1967 -1.1967 1.4545 1.4545 2.0358 2.0358 2.8363 2.8363 3.4768 3.4768 3.5813 3.5813 5.1313 5.1313 9.9964 9.9964 11.7810 11.7810 12.9734 12.9734 15.1987 15.1987 k = 0.4276 0.1253 0.6124 ( 2108 PWs) bands (ev): -15.6658 -15.6658 -15.6342 -15.6342 -10.6679 -10.6679 -10.6184 -10.6184 -8.1246 -8.1246 -8.0807 -8.0807 -8.0312 -8.0312 -1.1947 -1.1947 1.4704 1.4704 1.9999 1.9999 2.8723 2.8723 3.4698 3.4698 3.5754 3.5754 5.1287 5.1287 9.9764 9.9764 11.7890 11.7890 13.0060 13.0060 15.1738 15.1738 k = 0.4211 0.1367 0.6124 ( 2104 PWs) bands (ev): -15.6665 -15.6665 -15.6335 -15.6335 -10.6685 -10.6685 -10.6180 -10.6180 -8.1252 -8.1252 -8.0813 -8.0813 -8.0303 -8.0303 -1.1929 -1.1929 1.4875 1.4875 1.9651 1.9651 2.9065 2.9065 3.4618 3.4618 3.5700 3.5700 5.1263 5.1263 9.9577 9.9577 11.7959 11.7959 13.0383 13.0383 15.1491 15.1491 k = 0.4145 0.1481 0.6124 ( 2103 PWs) bands (ev): -15.6672 -15.6672 -15.6330 -15.6330 -10.6691 -10.6691 -10.6176 -10.6176 -8.1258 -8.1258 -8.0818 -8.0818 -8.0295 -8.0295 -1.1912 -1.1912 1.5053 1.5053 1.9318 1.9318 2.9384 2.9384 3.4529 3.4529 3.5652 3.5652 5.1241 5.1241 9.9408 9.9408 11.8019 11.8019 13.0691 13.0691 15.1253 15.1253 k = 0.4079 0.1595 0.6124 ( 2107 PWs) bands (ev): -15.6678 -15.6678 -15.6325 -15.6325 -10.6697 -10.6697 -10.6172 -10.6172 -8.1263 -8.1263 -8.0822 -8.0822 -8.0289 -8.0289 -1.1897 -1.1897 1.5235 1.5235 1.9003 1.9003 2.9675 2.9675 3.4433 3.4433 3.5613 3.5613 5.1222 5.1222 9.9260 9.9260 11.8067 11.8067 13.0975 13.0975 15.1032 15.1032 k = 0.4013 0.1709 0.6124 ( 2111 PWs) bands (ev): -15.6682 -15.6682 -15.6321 -15.6321 -10.6701 -10.6701 -10.6169 -10.6169 -8.1267 -8.1267 -8.0825 -8.0825 -8.0283 -8.0283 -1.1884 -1.1884 1.5415 1.5415 1.8714 1.8714 2.9931 2.9931 3.4337 3.4337 3.5581 3.5581 5.1206 5.1206 9.9135 9.9135 11.8106 11.8106 13.1224 13.1224 15.0836 15.0836 k = 0.3947 0.1823 0.6124 ( 2111 PWs) bands (ev): -15.6686 -15.6686 -15.6318 -15.6318 -10.6704 -10.6704 -10.6167 -10.6167 -8.1271 -8.1271 -8.0828 -8.0828 -8.0279 -8.0279 -1.1874 -1.1874 1.5584 1.5584 1.8460 1.8460 3.0145 3.0145 3.4249 3.4249 3.5557 3.5557 5.1193 5.1193 9.9035 9.9035 11.8136 11.8136 13.1430 13.1430 15.0674 15.0674 k = 0.3882 0.1937 0.6124 ( 2111 PWs) bands (ev): -15.6688 -15.6688 -15.6316 -15.6316 -10.6707 -10.6707 -10.6165 -10.6165 -8.1274 -8.1274 -8.0830 -8.0830 -8.0276 -8.0276 -1.1867 -1.1867 1.5728 1.5728 1.8255 1.8255 3.0306 3.0306 3.4177 3.4177 3.5541 3.5541 5.1183 5.1183 9.8963 9.8963 11.8157 11.8157 13.1583 13.1583 15.0553 15.0553 k = 0.3816 0.2051 0.6124 ( 2105 PWs) bands (ev): -15.6690 -15.6690 -15.6315 -15.6315 -10.6708 -10.6708 -10.6164 -10.6164 -8.1275 -8.1275 -8.0831 -8.0831 -8.0274 -8.0274 -1.1862 -1.1862 1.5828 1.5828 1.8119 1.8119 3.0408 3.0408 3.4129 3.4129 3.5531 3.5531 5.1177 5.1177 9.8919 9.8919 11.8169 11.8169 13.1678 13.1678 15.0478 15.0478 k = 0.3750 0.2165 0.6124 ( 2097 PWs) bands (ev): -15.6690 -15.6690 -15.6315 -15.6315 -10.6709 -10.6709 -10.6163 -10.6163 -8.1275 -8.1275 -8.0831 -8.0831 -8.0273 -8.0273 -1.1861 -1.1861 1.5864 1.5864 1.8071 1.8071 3.0442 3.0442 3.4113 3.4113 3.5528 3.5528 5.1176 5.1176 9.8904 9.8904 11.8173 11.8173 13.1710 13.1710 15.0452 15.0452 k = 0.3750 0.2165 0.6124 ( 2097 PWs) bands (ev): -15.6690 -15.6690 -15.6315 -15.6315 -10.6709 -10.6709 -10.6163 -10.6163 -8.1275 -8.1275 -8.0831 -8.0831 -8.0273 -8.0273 -1.1861 -1.1861 1.5864 1.5864 1.8071 1.8071 3.0442 3.0442 3.4113 3.4113 3.5528 3.5528 5.1176 5.1176 9.8904 9.8904 11.8173 11.8173 13.1710 13.1710 15.0452 15.0452 k = 0.3684 0.2127 0.6016 ( 2101 PWs) bands (ev): -15.6653 -15.6653 -15.6355 -15.6355 -10.6706 -10.6706 -10.6173 -10.6173 -8.1276 -8.1276 -8.0829 -8.0829 -8.0288 -8.0288 -1.1764 -1.1764 1.5974 1.5974 1.8289 1.8289 3.0036 3.0036 3.3962 3.3962 3.5505 3.5505 5.1219 5.1219 9.9401 9.9401 11.7719 11.7719 13.1610 13.1610 15.1174 15.1174 k = 0.3618 0.2089 0.5909 ( 2103 PWs) bands (ev): -15.6615 -15.6615 -15.6398 -15.6398 -10.6704 -10.6704 -10.6182 -10.6182 -8.1278 -8.1278 -8.0829 -8.0829 -8.0302 -8.0302 -1.1658 -1.1658 1.6091 1.6091 1.8518 1.8518 2.9631 2.9631 3.3806 3.3806 3.5480 3.5480 5.1251 5.1251 9.9869 9.9869 11.7297 11.7297 13.1523 13.1523 15.1919 15.1919 k = 0.3553 0.2051 0.5801 ( 2115 PWs) bands (ev): -15.6574 -15.6574 -15.6443 -15.6443 -10.6704 -10.6704 -10.6191 -10.6191 -8.1281 -8.1281 -8.0830 -8.0830 -8.0315 -8.0315 -1.1543 -1.1543 1.6214 1.6214 1.8757 1.8757 2.9230 2.9230 3.3645 3.3645 3.5454 3.5454 5.1270 5.1270 10.0298 10.0298 11.6917 11.6917 13.1446 13.1446 15.2689 15.2689 k = 0.3487 0.2013 0.5694 ( 2115 PWs) bands (ev): -15.6532 -15.6532 -15.6490 -15.6490 -10.6706 -10.6706 -10.6199 -10.6199 -8.1285 -8.1285 -8.0834 -8.0834 -8.0326 -8.0326 -1.1420 -1.1420 1.6344 1.6344 1.9005 1.9005 2.8834 2.8834 3.3480 3.3480 3.5425 3.5425 5.1276 5.1276 10.0680 10.0680 11.6586 11.6586 13.1378 13.1378 15.3483 15.3483 k = 0.3421 0.1975 0.5587 ( 2117 PWs) bands (ev): -15.6541 -15.6541 -15.6486 -15.6486 -10.6708 -10.6708 -10.6206 -10.6206 -8.1290 -8.1290 -8.0840 -8.0840 -8.0335 -8.0335 -1.1286 -1.1286 1.6482 1.6482 1.9262 1.9262 2.8445 2.8445 3.3312 3.3312 3.5394 3.5394 5.1267 5.1267 10.1010 10.1010 11.6311 11.6311 13.1318 13.1318 15.4301 15.4301 k = 0.3355 0.1937 0.5479 ( 2121 PWs) bands (ev): -15.6593 -15.6593 -15.6440 -15.6440 -10.6713 -10.6713 -10.6213 -10.6213 -8.1296 -8.1296 -8.0849 -8.0849 -8.0343 -8.0343 -1.1143 -1.1143 1.6627 1.6627 1.9526 1.9526 2.8065 2.8065 3.3140 3.3140 3.5361 3.5361 5.1241 5.1241 10.1279 10.1279 11.6099 11.6099 13.1265 13.1265 15.5143 15.5143 k = 0.3289 0.1899 0.5372 ( 2121 PWs) bands (ev): -15.6648 -15.6648 -15.6391 -15.6391 -10.6719 -10.6719 -10.6220 -10.6220 -8.1303 -8.1303 -8.0860 -8.0860 -8.0350 -8.0350 -1.0990 -1.0990 1.6779 1.6779 1.9799 1.9799 2.7695 2.7695 3.2964 3.2964 3.5326 3.5326 5.1198 5.1198 10.1485 10.1485 11.5954 11.5954 13.1217 13.1217 15.6010 15.6010 k = 0.3224 0.1861 0.5264 ( 2107 PWs) bands (ev): -15.6705 -15.6705 -15.6340 -15.6340 -10.6726 -10.6726 -10.6225 -10.6225 -8.1310 -8.1310 -8.0872 -8.0872 -8.0356 -8.0356 -1.0825 -1.0825 1.6940 1.6940 2.0078 2.0078 2.7337 2.7337 3.2786 3.2786 3.5289 3.5289 5.1136 5.1136 10.1625 10.1625 11.5876 11.5876 13.1174 13.1174 15.6901 15.6901 k = 0.3158 0.1823 0.5157 ( 2107 PWs) bands (ev): -15.6765 -15.6765 -15.6288 -15.6288 -10.6734 -10.6734 -10.6231 -10.6231 -8.1319 -8.1319 -8.0887 -8.0887 -8.0362 -8.0362 -1.0650 -1.0650 1.7107 1.7107 2.0362 2.0362 2.6992 2.6992 3.2605 3.2605 3.5248 3.5248 5.1055 5.1055 10.1701 10.1701 11.5863 11.5863 13.1136 13.1136 15.7816 15.7816 k = 0.3092 0.1785 0.5049 ( 2107 PWs) bands (ev): -15.6827 -15.6827 -15.6233 -15.6233 -10.6744 -10.6744 -10.6237 -10.6237 -8.1328 -8.1328 -8.0903 -8.0903 -8.0367 -8.0367 -1.0463 -1.0463 1.7283 1.7283 2.0652 2.0652 2.6662 2.6662 3.2422 3.2422 3.5206 3.5206 5.0954 5.0954 10.1715 10.1715 11.5911 11.5911 13.1100 13.1100 15.8752 15.8752 k = 0.3026 0.1747 0.4942 ( 2097 PWs) bands (ev): -15.6891 -15.6891 -15.6177 -15.6177 -10.6755 -10.6755 -10.6242 -10.6242 -8.1338 -8.1338 -8.0920 -8.0920 -8.0373 -8.0373 -1.0265 -1.0265 1.7465 1.7465 2.0946 2.0946 2.6348 2.6348 3.2237 3.2237 3.5161 3.5161 5.0831 5.0831 10.1675 10.1675 11.6013 11.6013 13.1068 13.1068 15.9711 15.9711 k = 0.2961 0.1709 0.4835 ( 2101 PWs) bands (ev): -15.6957 -15.6957 -15.6119 -15.6119 -10.6766 -10.6766 -10.6249 -10.6249 -8.1349 -8.1349 -8.0939 -8.0939 -8.0380 -8.0380 -1.0055 -1.0055 1.7655 1.7655 2.1244 2.1244 2.6050 2.6050 3.2051 3.2051 3.5113 3.5113 5.0687 5.0687 10.1588 10.1588 11.6160 11.6160 13.1039 13.1039 16.0689 16.0689 k = 0.2895 0.1671 0.4727 ( 2107 PWs) bands (ev): -15.7026 -15.7026 -15.6060 -15.6060 -10.6779 -10.6779 -10.6255 -10.6255 -8.1361 -8.1361 -8.0958 -8.0958 -8.0387 -8.0387 -0.9834 -0.9834 1.7852 1.7852 2.1543 2.1543 2.5771 2.5771 3.1863 3.1863 3.5063 3.5063 5.0520 5.0520 10.1463 10.1463 11.6343 11.6343 13.1012 13.1012 16.1687 16.1687 k = 0.2829 0.1633 0.4620 ( 2105 PWs) bands (ev): -15.7097 -15.7097 -15.5998 -15.5998 -10.6792 -10.6792 -10.6263 -10.6263 -8.1373 -8.1373 -8.0978 -8.0978 -8.0396 -8.0396 -0.9600 -0.9600 1.8055 1.8055 2.1843 2.1843 2.5513 2.5513 3.1675 3.1675 3.5010 3.5010 5.0331 5.0331 10.1309 10.1309 11.6551 11.6551 13.0987 13.0987 16.2701 16.2701 k = 0.2763 0.1595 0.4512 ( 2105 PWs) bands (ev): -15.7169 -15.7169 -15.5935 -15.5935 -10.6806 -10.6806 -10.6271 -10.6271 -8.1385 -8.1385 -8.0998 -8.0998 -8.0407 -8.0407 -0.9354 -0.9354 1.8265 1.8265 2.2141 2.2141 2.5277 2.5277 3.1486 3.1486 3.4954 3.4954 5.0118 5.0118 10.1135 10.1135 11.6774 11.6774 13.0964 13.0964 16.3731 16.3731 k = 0.2697 0.1557 0.4405 ( 2105 PWs) bands (ev): -15.7244 -15.7244 -15.5871 -15.5871 -10.6819 -10.6819 -10.6280 -10.6280 -8.1399 -8.1399 -8.1018 -8.1018 -8.0419 -8.0419 -0.9095 -0.9095 1.8480 1.8480 2.2435 2.2435 2.5065 2.5065 3.1297 3.1297 3.4896 3.4896 4.9882 4.9882 10.0948 10.0948 11.7005 11.7005 13.0942 13.0942 16.4774 16.4774 k = 0.2632 0.1519 0.4297 ( 2097 PWs) bands (ev): -15.7320 -15.7320 -15.5804 -15.5804 -10.6833 -10.6833 -10.6289 -10.6289 -8.1412 -8.1412 -8.1038 -8.1038 -8.0433 -8.0433 -0.8824 -0.8824 1.8701 1.8701 2.2719 2.2719 2.4884 2.4884 3.1109 3.1109 3.4835 3.4835 4.9622 4.9622 10.0757 10.0757 11.7237 11.7237 13.0920 13.0920 16.5827 16.5827 k = 0.2566 0.1481 0.4190 ( 2099 PWs) bands (ev): -15.7398 -15.7398 -15.5737 -15.5737 -10.6847 -10.6847 -10.6301 -10.6301 -8.1426 -8.1426 -8.1058 -8.1058 -8.0450 -8.0450 -0.8540 -0.8540 1.8927 1.8927 2.2986 2.2986 2.4741 2.4741 3.0921 3.0921 3.4771 3.4771 4.9338 4.9338 10.0566 10.0566 11.7461 11.7461 13.0899 13.0899 16.6888 16.6888 k = 0.2500 0.1443 0.4082 ( 2099 PWs) bands (ev): -15.7477 -15.7477 -15.5668 -15.5668 -10.6861 -10.6861 -10.6313 -10.6313 -8.1440 -8.1440 -8.1078 -8.1078 -8.0469 -8.0469 -0.8244 -0.8244 1.9158 1.9158 2.3222 2.3222 2.4649 2.4649 3.0733 3.0733 3.4704 3.4704 4.9030 4.9030 10.0383 10.0383 11.7675 11.7675 13.0876 13.0876 16.7952 16.7952 k = 0.2434 0.1405 0.3975 ( 2099 PWs) bands (ev): -15.7558 -15.7558 -15.5598 -15.5598 -10.6875 -10.6875 -10.6326 -10.6326 -8.1455 -8.1455 -8.1098 -8.1098 -8.0490 -8.0490 -0.7935 -0.7935 1.9393 1.9393 2.3403 2.3403 2.4631 2.4631 3.0547 3.0547 3.4635 3.4635 4.8699 4.8699 10.0210 10.0210 11.7873 11.7873 13.0851 13.0851 16.9015 16.9015 k = 0.2368 0.1367 0.3868 ( 2099 PWs) bands (ev): -15.7640 -15.7640 -15.5528 -15.5528 -10.6889 -10.6889 -10.6341 -10.6341 -8.1469 -8.1469 -8.1118 -8.1118 -8.0514 -8.0514 -0.7614 -0.7614 1.9631 1.9631 2.3509 2.3509 2.4707 2.4707 3.0363 3.0363 3.4563 3.4563 4.8345 4.8345 10.0052 10.0052 11.8054 11.8054 13.0824 13.0824 17.0074 17.0074 k = 0.2303 0.1329 0.3760 ( 2099 PWs) bands (ev): -15.7723 -15.7723 -15.5456 -15.5456 -10.6903 -10.6903 -10.6358 -10.6358 -8.1484 -8.1484 -8.1137 -8.1137 -8.0540 -8.0540 -0.7280 -0.7280 1.9871 1.9871 2.3545 2.3545 2.4872 2.4872 3.0180 3.0180 3.4489 3.4489 4.7967 4.7967 9.9912 9.9912 11.8216 11.8216 13.0791 13.0791 17.1122 17.1122 k = 0.2237 0.1291 0.3653 ( 2097 PWs) bands (ev): -15.7807 -15.7807 -15.5383 -15.5383 -10.6916 -10.6916 -10.6375 -10.6375 -8.1499 -8.1499 -8.1156 -8.1156 -8.0568 -8.0568 -0.6934 -0.6934 2.0115 2.0115 2.3539 2.3539 2.5097 2.5097 2.9999 2.9999 3.4412 3.4412 4.7567 4.7567 9.9792 9.9792 11.8358 11.8358 13.0753 13.0753 17.2153 17.2153 k = 0.2171 0.1253 0.3545 ( 2101 PWs) bands (ev): -15.7892 -15.7892 -15.5310 -15.5310 -10.6929 -10.6929 -10.6394 -10.6394 -8.1513 -8.1513 -8.1175 -8.1175 -8.0599 -8.0599 -0.6577 -0.6577 2.0359 2.0359 2.3517 2.3517 2.5355 2.5355 2.9820 2.9820 3.4332 3.4332 4.7145 4.7145 9.9693 9.9693 11.8481 11.8481 13.0707 13.0707 17.3158 17.3158 k = 0.2105 0.1215 0.3438 ( 2101 PWs) bands (ev): -15.7977 -15.7977 -15.5236 -15.5236 -10.6941 -10.6941 -10.6414 -10.6414 -8.1528 -8.1528 -8.1193 -8.1193 -8.0632 -8.0632 -0.6207 -0.6207 2.0605 2.0605 2.3494 2.3494 2.5631 2.5631 2.9644 2.9644 3.4249 3.4249 4.6702 4.6702 9.9618 9.9618 11.8587 11.8587 13.0653 13.0653 17.4128 17.4128 k = 0.2039 0.1177 0.3330 ( 2099 PWs) bands (ev): -15.8062 -15.8062 -15.5162 -15.5162 -10.6953 -10.6953 -10.6436 -10.6436 -8.1542 -8.1542 -8.1210 -8.1210 -8.0666 -8.0666 -0.5827 -0.5827 2.0851 2.0851 2.3479 2.3479 2.5914 2.5914 2.9471 2.9471 3.4165 3.4165 4.6239 4.6239 9.9566 9.9566 11.8677 11.8677 13.0588 13.0588 17.5052 17.5052 k = 0.1974 0.1140 0.3223 ( 2099 PWs) bands (ev): -15.8148 -15.8148 -15.5087 -15.5087 -10.6965 -10.6965 -10.6458 -10.6458 -8.1557 -8.1557 -8.1228 -8.1228 -8.0703 -8.0703 -0.5435 -0.5435 2.1097 2.1097 2.3476 2.3476 2.6200 2.6200 2.9301 2.9301 3.4077 3.4077 4.5757 4.5757 9.9538 9.9538 11.8753 11.8753 13.0512 13.0512 17.5915 17.5915 k = 0.1908 0.1102 0.3116 ( 2091 PWs) bands (ev): -15.8233 -15.8233 -15.5012 -15.5012 -10.6976 -10.6976 -10.6482 -10.6482 -8.1571 -8.1571 -8.1245 -8.1245 -8.0742 -8.0742 -0.5033 -0.5033 2.1342 2.1342 2.3486 2.3486 2.6487 2.6487 2.9135 2.9135 3.3987 3.3987 4.5256 4.5256 9.9534 9.9534 11.8819 11.8819 13.0423 13.0423 17.6700 17.6700 k = 0.1842 0.1064 0.3008 ( 2093 PWs) bands (ev): -15.8318 -15.8318 -15.4938 -15.4938 -10.6986 -10.6986 -10.6507 -10.6507 -8.1585 -8.1585 -8.1262 -8.1262 -8.0782 -8.0782 -0.4621 -0.4621 2.1585 2.1585 2.3511 2.3511 2.6771 2.6771 2.8972 2.8972 3.3895 3.3895 4.4738 4.4738 9.9552 9.9552 11.8878 11.8878 13.0321 13.0321 17.7388 17.7388 k = 0.1776 0.1026 0.2901 ( 2097 PWs) bands (ev): -15.8403 -15.8403 -15.4864 -15.4864 -10.6996 -10.6996 -10.6533 -10.6533 -8.1599 -8.1599 -8.1278 -8.1278 -8.0823 -8.0823 -0.4200 -0.4200 2.1826 2.1826 2.3551 2.3551 2.7051 2.7051 2.8813 2.8813 3.3801 3.3801 4.4204 4.4204 9.9593 9.9593 11.8934 11.8934 13.0205 13.0205 17.7954 17.7954 k = 0.1711 0.0988 0.2793 ( 2091 PWs) bands (ev): -15.8487 -15.8487 -15.4790 -15.4790 -10.7006 -10.7006 -10.6560 -10.6560 -8.1613 -8.1613 -8.1294 -8.1294 -8.0866 -8.0866 -0.3769 -0.3769 2.2065 2.2065 2.3606 2.3606 2.7327 2.7327 2.8658 2.8658 3.3705 3.3705 4.3655 4.3655 9.9653 9.9653 11.8991 11.8991 13.0074 13.0074 17.8373 17.8373 k = 0.1645 0.0950 0.2686 ( 2091 PWs) bands (ev): -15.8570 -15.8570 -15.4717 -15.4717 -10.7015 -10.7015 -10.6587 -10.6587 -8.1627 -8.1627 -8.1309 -8.1309 -8.0909 -8.0909 -0.3331 -0.3331 2.2300 2.2300 2.3676 2.3676 2.7597 2.7597 2.8507 2.8507 3.3606 3.3606 4.3094 4.3094 9.9732 9.9732 11.9054 11.9054 12.9930 12.9930 17.8621 17.8621 k = 0.1579 0.0912 0.2578 ( 2091 PWs) bands (ev): -15.8652 -15.8652 -15.4644 -15.4644 -10.7023 -10.7023 -10.6616 -10.6616 -8.1641 -8.1641 -8.1324 -8.1324 -8.0952 -8.0952 -0.2886 -0.2886 2.2532 2.2532 2.3760 2.3760 2.7859 2.7859 2.8362 2.8362 3.3506 3.3506 4.2521 4.2521 9.9827 9.9827 11.9125 11.9125 12.9773 12.9773 17.8677 17.8677 k = 0.1513 0.0874 0.2471 ( 2095 PWs) bands (ev): -15.8733 -15.8733 -15.4573 -15.4573 -10.7031 -10.7031 -10.6645 -10.6645 -8.1655 -8.1655 -8.1338 -8.1338 -8.0996 -8.0996 -0.2435 -0.2435 2.2759 2.2759 2.3857 2.3857 2.8105 2.8105 2.8231 2.8231 3.3404 3.3404 4.1938 4.1938 9.9936 9.9936 11.9210 11.9210 12.9603 12.9603 17.8528 17.8528 k = 0.1447 0.0836 0.2364 ( 2095 PWs) bands (ev): -15.8812 -15.8812 -15.4503 -15.4503 -10.7039 -10.7039 -10.6674 -10.6674 -8.1670 -8.1670 -8.1353 -8.1353 -8.1040 -8.1040 -0.1978 -0.1978 2.2983 2.2983 2.3966 2.3966 2.8075 2.8075 2.8373 2.8373 3.3300 3.3300 4.1347 4.1347 10.0056 10.0056 11.9312 11.9312 12.9421 12.9421 17.8172 17.8172 k = 0.1382 0.0798 0.2256 ( 2095 PWs) bands (ev): -15.8889 -15.8889 -15.4434 -15.4434 -10.7046 -10.7046 -10.6703 -10.6703 -8.1684 -8.1684 -8.1366 -8.1366 -8.1083 -8.1083 -0.1518 -0.1518 2.3202 2.3202 2.4086 2.4086 2.7945 2.7945 2.8610 2.8610 3.3195 3.3195 4.0749 4.0749 10.0184 10.0184 11.9436 11.9436 12.9229 12.9229 17.7621 17.7621 k = 0.1316 0.0760 0.2149 ( 2091 PWs) bands (ev): -15.8964 -15.8964 -15.4367 -15.4367 -10.7052 -10.7052 -10.6732 -10.6732 -8.1699 -8.1699 -8.1379 -8.1379 -8.1125 -8.1125 -0.1054 -0.1054 2.3417 2.3417 2.4216 2.4216 2.7819 2.7819 2.8840 2.8840 3.3089 3.3089 4.0147 4.0147 10.0317 10.0317 11.9586 11.9586 12.9029 12.9029 17.6894 17.6894 k = 0.1250 0.0722 0.2041 ( 2079 PWs) bands (ev): -15.9037 -15.9037 -15.4301 -15.4301 -10.7058 -10.7058 -10.6762 -10.6762 -8.1714 -8.1714 -8.1391 -8.1391 -8.1166 -8.1166 -0.0589 -0.0589 2.3628 2.3628 2.4354 2.4354 2.7698 2.7698 2.9060 2.9060 3.2982 3.2982 3.9544 3.9544 10.0453 10.0453 11.9764 11.9764 12.8821 12.8821 17.6016 17.6016 k = 0.1184 0.0684 0.1934 ( 2087 PWs) bands (ev): -15.9107 -15.9107 -15.4238 -15.4238 -10.7064 -10.7064 -10.6791 -10.6791 -8.1730 -8.1730 -8.1403 -8.1403 -8.1205 -8.1205 -0.0125 -0.0125 2.3835 2.3835 2.4498 2.4498 2.7582 2.7582 2.9270 2.9270 3.2874 3.2874 3.8940 3.8940 10.0589 10.0589 11.9973 11.9973 12.8608 12.8608 17.5014 17.5014 k = 0.1118 0.0646 0.1826 ( 2095 PWs) bands (ev): -15.9175 -15.9175 -15.4177 -15.4177 -10.7069 -10.7069 -10.6820 -10.6820 -8.1747 -8.1747 -8.1415 -8.1415 -8.1243 -8.1243 0.0337 0.0337 2.4038 2.4038 2.4648 2.4648 2.7471 2.7471 2.9468 2.9468 3.2767 3.2767 3.8338 3.8338 10.0721 10.0721 12.0216 12.0216 12.8393 12.8393 17.3914 17.3914 k = 0.1053 0.0608 0.1719 ( 2099 PWs) bands (ev): -15.9241 -15.9241 -15.4118 -15.4118 -10.7074 -10.7074 -10.6848 -10.6848 -8.1765 -8.1765 -8.1426 -8.1426 -8.1278 -8.1278 0.0796 0.0796 2.4238 2.4238 2.4801 2.4801 2.7366 2.7366 2.9655 2.9655 3.2659 3.2659 3.7741 3.7741 10.0847 10.0847 12.0493 12.0493 12.8176 12.8176 17.2742 17.2742 k = 0.0987 0.0570 0.1612 ( 2095 PWs) bands (ev): -15.9303 -15.9303 -15.4061 -15.4061 -10.7078 -10.7078 -10.6876 -10.6876 -8.1783 -8.1783 -8.1436 -8.1436 -8.1310 -8.1310 0.1248 0.1248 2.4435 2.4435 2.4955 2.4955 2.7267 2.7267 2.9828 2.9828 3.2553 3.2553 3.7152 3.7152 10.0966 10.0966 12.0806 12.0806 12.7959 12.7959 17.1517 17.1517 k = 0.0921 0.0532 0.1504 ( 2087 PWs) bands (ev): -15.9362 -15.9362 -15.4007 -15.4007 -10.7082 -10.7082 -10.6902 -10.6902 -8.1802 -8.1802 -8.1445 -8.1445 -8.1340 -8.1340 0.1693 0.1693 2.4629 2.4629 2.5110 2.5110 2.7174 2.7174 2.9988 2.9988 3.2449 3.2449 3.6574 3.6574 10.1075 10.1075 12.1152 12.1152 12.7746 12.7746 17.0260 17.0260 k = 0.0855 0.0494 0.1397 ( 2087 PWs) bands (ev): -15.9418 -15.9418 -15.3956 -15.3956 -10.7086 -10.7086 -10.6928 -10.6928 -8.1821 -8.1821 -8.1454 -8.1454 -8.1367 -8.1367 0.2126 0.2126 2.4819 2.4819 2.5264 2.5264 2.7086 2.7086 3.0132 3.0132 3.2348 3.2348 3.6009 3.6009 10.1175 10.1175 12.1530 12.1530 12.7538 12.7538 16.8990 16.8990 k = 0.0789 0.0456 0.1289 ( 2085 PWs) bands (ev): -15.9470 -15.9470 -15.3908 -15.3908 -10.7089 -10.7089 -10.6952 -10.6952 -8.1841 -8.1841 -8.1462 -8.1462 -8.1391 -8.1391 0.2547 0.2547 2.5006 2.5006 2.5416 2.5416 2.7005 2.7005 3.0259 3.0259 3.2252 3.2252 3.5462 3.5462 10.1263 10.1263 12.1937 12.1937 12.7337 12.7337 16.7721 16.7721 k = 0.0724 0.0418 0.1182 ( 2085 PWs) bands (ev): -15.9519 -15.9519 -15.3864 -15.3864 -10.7092 -10.7092 -10.6975 -10.6975 -8.1861 -8.1861 -8.1470 -8.1470 -8.1413 -8.1413 0.2951 0.2951 2.5189 2.5189 2.5564 2.5564 2.6930 2.6930 3.0366 3.0366 3.2162 3.2162 3.4935 3.4935 10.1340 10.1340 12.2367 12.2367 12.7145 12.7145 16.6470 16.6470 k = 0.0658 0.0380 0.1074 ( 2087 PWs) bands (ev): -15.9564 -15.9564 -15.3822 -15.3822 -10.7095 -10.7095 -10.6997 -10.6997 -8.1881 -8.1881 -8.1477 -8.1477 -8.1431 -8.1431 0.3336 0.3336 2.5366 2.5366 2.5707 2.5707 2.6861 2.6861 3.0452 3.0452 3.2080 3.2080 3.4434 3.4434 10.1406 10.1406 12.2815 12.2815 12.6963 12.6963 16.5252 16.5252 k = 0.0592 0.0342 0.0967 ( 2095 PWs) bands (ev): -15.9605 -15.9605 -15.3785 -15.3785 -10.7097 -10.7097 -10.7017 -10.7017 -8.1900 -8.1900 -8.1483 -8.1483 -8.1448 -8.1448 0.3698 0.3698 2.5538 2.5538 2.5845 2.5845 2.6799 2.6799 3.0514 3.0514 3.2009 3.2009 3.3963 3.3963 10.1461 10.1461 12.3273 12.3273 12.6793 12.6793 16.4082 16.4082 k = 0.0526 0.0304 0.0859 ( 2093 PWs) bands (ev): -15.9642 -15.9642 -15.3750 -15.3750 -10.7099 -10.7099 -10.7035 -10.7035 -8.1919 -8.1919 -8.1488 -8.1488 -8.1462 -8.1462 0.4035 0.4035 2.5704 2.5704 2.5975 2.5975 2.6743 2.6743 3.0548 3.0548 3.1951 3.1951 3.3528 3.3528 10.1506 10.1506 12.3731 12.3731 12.6637 12.6637 16.2974 16.2974 k = 0.0461 0.0266 0.0752 ( 2093 PWs) bands (ev): -15.9675 -15.9675 -15.3720 -15.3720 -10.7101 -10.7101 -10.7051 -10.7051 -8.1936 -8.1936 -8.1493 -8.1493 -8.1473 -8.1473 0.4342 0.4342 2.5862 2.5862 2.6097 2.6097 2.6694 2.6694 3.0553 3.0553 3.1908 3.1908 3.3134 3.3134 10.1543 10.1543 12.4180 12.4180 12.6497 12.6497 16.1944 16.1944 k = 0.0395 0.0228 0.0645 ( 2093 PWs) bands (ev): -15.9704 -15.9704 -15.3693 -15.3693 -10.7102 -10.7102 -10.7066 -10.7066 -8.1951 -8.1951 -8.1498 -8.1498 -8.1483 -8.1483 0.4617 0.4617 2.6010 2.6010 2.6207 2.6207 2.6651 2.6651 3.0530 3.0530 3.1878 3.1878 3.2788 3.2788 10.1572 10.1572 12.4606 12.4606 12.6372 12.6372 16.1008 16.1008 k = 0.0329 0.0190 0.0537 ( 2091 PWs) bands (ev): -15.9728 -15.9728 -15.3671 -15.3671 -10.7104 -10.7104 -10.7078 -10.7078 -8.1965 -8.1965 -8.1501 -8.1501 -8.1491 -8.1491 0.4857 0.4857 2.6146 2.6146 2.6305 2.6305 2.6616 2.6616 3.0482 3.0482 3.1862 3.1862 3.2495 3.2495 10.1594 10.1594 12.4998 12.4998 12.6265 12.6265 16.0180 16.0180 k = 0.0263 0.0152 0.0430 ( 2091 PWs) bands (ev): -15.9748 -15.9748 -15.3652 -15.3652 -10.7105 -10.7105 -10.7088 -10.7088 -8.1976 -8.1976 -8.1504 -8.1504 -8.1498 -8.1498 0.5058 0.5058 2.6267 2.6267 2.6388 2.6388 2.6588 2.6588 3.0416 3.0416 3.1854 3.1854 3.2258 3.2258 10.1611 10.1611 12.5343 12.5343 12.6176 12.6176 15.9477 15.9477 k = 0.0197 0.0114 0.0322 ( 2087 PWs) bands (ev): -15.9764 -15.9764 -15.3637 -15.3637 -10.7105 -10.7105 -10.7096 -10.7096 -8.1985 -8.1985 -8.1506 -8.1506 -8.1503 -8.1503 0.5217 0.5217 2.6368 2.6368 2.6453 2.6453 2.6568 2.6568 3.0343 3.0343 3.1853 3.1853 3.2079 3.2079 10.1622 10.1622 12.5627 12.5627 12.6106 12.6106 15.8912 15.8912 k = 0.0132 0.0076 0.0215 ( 2085 PWs) bands (ev): -15.9775 -15.9775 -15.3627 -15.3627 -10.7106 -10.7106 -10.7102 -10.7102 -8.1992 -8.1992 -8.1508 -8.1508 -8.1506 -8.1506 0.5332 0.5332 2.6444 2.6444 2.6493 2.6493 2.6562 2.6562 3.0277 3.0277 3.1855 3.1855 3.1954 3.1954 10.1630 10.1630 12.5839 12.5839 12.6055 12.6055 15.8499 15.8499 k = 0.0066 0.0038 0.0107 ( 2085 PWs) bands (ev): -15.9782 -15.9782 -15.3620 -15.3620 -10.7106 -10.7106 -10.7105 -10.7105 -8.1996 -8.1996 -8.1508 -8.1508 -8.1508 -8.1508 0.5402 0.5402 2.6492 2.6492 2.6507 2.6507 2.6570 2.6570 3.0231 3.0231 3.1856 3.1856 3.1881 3.1881 10.1635 10.1635 12.5970 12.5970 12.6025 12.6025 15.8246 15.8246 k = 0.0000 0.0000 0.0000 ( 2085 PWs) bands (ev): -15.9784 -15.9784 -15.3618 -15.3618 -10.7106 -10.7106 -10.7106 -10.7106 -8.1997 -8.1997 -8.1509 -8.1509 -8.1509 -8.1509 0.5426 0.5426 2.6509 2.6509 2.6509 2.6509 2.6575 2.6575 3.0214 3.0214 3.1857 3.1857 3.1857 3.1857 10.1636 10.1636 12.6015 12.6015 12.6015 12.6015 15.8161 15.8161 k = 0.0000 0.0000 0.0000 ( 2085 PWs) bands (ev): -15.9784 -15.9784 -15.3618 -15.3618 -10.7106 -10.7106 -10.7106 -10.7106 -8.1997 -8.1997 -8.1509 -8.1509 -8.1509 -8.1509 0.5426 0.5426 2.6509 2.6509 2.6509 2.6509 2.6575 2.6575 3.0214 3.0214 3.1857 3.1857 3.1857 3.1857 10.1636 10.1636 12.6015 12.6015 12.6015 12.6015 15.8161 15.8161 k = 0.0109 0.0063 0.0044 ( 2085 PWs) bands (ev): -15.9782 -15.9782 -15.3620 -15.3620 -10.7106 -10.7106 -10.7105 -10.7105 -8.1996 -8.1996 -8.1508 -8.1508 -8.1508 -8.1508 0.5402 0.5402 2.6492 2.6492 2.6507 2.6507 2.6569 2.6569 3.0231 3.0231 3.1855 3.1855 3.1883 3.1883 10.1635 10.1635 12.5970 12.5970 12.6025 12.6025 15.8248 15.8248 k = 0.0217 0.0126 0.0089 ( 2085 PWs) bands (ev): -15.9775 -15.9775 -15.3627 -15.3627 -10.7106 -10.7106 -10.7101 -10.7101 -8.1992 -8.1992 -8.1507 -8.1507 -8.1507 -8.1507 0.5330 0.5330 2.6442 2.6442 2.6501 2.6501 2.6554 2.6554 3.0277 3.0277 3.1847 3.1847 3.1964 3.1964 10.1630 10.1630 12.5835 12.5835 12.6056 12.6056 15.8506 15.8506 k = 0.0326 0.0188 0.0133 ( 2085 PWs) bands (ev): -15.9763 -15.9763 -15.3638 -15.3638 -10.7106 -10.7106 -10.7095 -10.7095 -8.1985 -8.1985 -8.1504 -8.1504 -8.1504 -8.1504 0.5212 0.5212 2.6360 2.6360 2.6492 2.6492 2.6533 2.6533 3.0341 3.0341 3.1835 3.1835 3.2104 3.2104 10.1622 10.1622 12.5619 12.5619 12.6107 12.6107 15.8930 15.8930 k = 0.0435 0.0251 0.0177 ( 2091 PWs) bands (ev): -15.9747 -15.9747 -15.3653 -15.3653 -10.7105 -10.7105 -10.7087 -10.7087 -8.1976 -8.1976 -8.1501 -8.1501 -8.1500 -8.1500 0.5049 0.5049 2.6253 2.6253 2.6480 2.6480 2.6506 2.6506 3.0409 3.0409 3.1818 3.1818 3.2309 3.2309 10.1611 10.1611 12.5329 12.5329 12.6179 12.6179 15.9507 15.9507 k = 0.0543 0.0314 0.0222 ( 2091 PWs) bands (ev): -15.9727 -15.9727 -15.3672 -15.3672 -10.7105 -10.7105 -10.7076 -10.7076 -8.1964 -8.1964 -8.1497 -8.1497 -8.1495 -8.1495 0.4845 0.4845 2.6128 2.6128 2.6464 2.6464 2.6473 2.6473 3.0471 3.0471 3.1796 3.1796 3.2581 3.2581 10.1594 10.1594 12.4977 12.4977 12.6270 12.6270 16.0225 16.0225 k = 0.0652 0.0377 0.0266 ( 2091 PWs) bands (ev): -15.9702 -15.9702 -15.3695 -15.3695 -10.7104 -10.7104 -10.7063 -10.7063 -8.1951 -8.1951 -8.1491 -8.1491 -8.1488 -8.1488 0.4602 0.4602 2.5990 2.5990 2.6432 2.6432 2.6444 2.6444 3.0521 3.0521 3.1770 3.1770 3.2917 3.2917 10.1573 10.1573 12.4578 12.4578 12.6381 12.6381 16.1070 16.1070 k = 0.0761 0.0439 0.0311 ( 2097 PWs) bands (ev): -15.9672 -15.9672 -15.3722 -15.3722 -10.7103 -10.7103 -10.7048 -10.7048 -8.1936 -8.1936 -8.1485 -8.1485 -8.1480 -8.1480 0.4322 0.4322 2.5843 2.5843 2.6386 2.6386 2.6421 2.6421 3.0557 3.0557 3.1739 3.1739 3.3310 3.3310 10.1545 10.1545 12.4143 12.4143 12.6511 12.6511 16.2024 16.2024 k = 0.0870 0.0502 0.0355 ( 2097 PWs) bands (ev): -15.9639 -15.9639 -15.3754 -15.3754 -10.7102 -10.7102 -10.7030 -10.7030 -8.1919 -8.1919 -8.1478 -8.1478 -8.1469 -8.1469 0.4011 0.4011 2.5691 2.5691 2.6333 2.6333 2.6395 2.6395 3.0582 3.0582 3.1704 3.1704 3.3753 3.3753 10.1510 10.1510 12.3685 12.3685 12.6659 12.6659 16.3072 16.3072 k = 0.0978 0.0565 0.0399 ( 2091 PWs) bands (ev): -15.9601 -15.9601 -15.3789 -15.3789 -10.7101 -10.7101 -10.7011 -10.7011 -8.1902 -8.1902 -8.1469 -8.1469 -8.1456 -8.1456 0.3672 0.3672 2.5535 2.5535 2.6274 2.6274 2.6366 2.6366 3.0596 3.0596 3.1664 3.1664 3.4239 3.4239 10.1467 10.1467 12.3218 12.3218 12.6826 12.6826 16.4198 16.4198 k = 0.1087 0.0628 0.0444 ( 2085 PWs) bands (ev): -15.9559 -15.9559 -15.3827 -15.3827 -10.7100 -10.7100 -10.6989 -10.6989 -8.1884 -8.1884 -8.1460 -8.1460 -8.1440 -8.1440 0.3307 0.3307 2.5376 2.5376 2.6210 2.6210 2.6335 2.6335 3.0603 3.0603 3.1620 3.1620 3.4761 3.4761 10.1414 10.1414 12.2751 12.2751 12.7009 12.7009 16.5386 16.5386 k = 0.1196 0.0690 0.0488 ( 2091 PWs) bands (ev): -15.9513 -15.9513 -15.3870 -15.3870 -10.7098 -10.7098 -10.6966 -10.6966 -8.1867 -8.1867 -8.1451 -8.1451 -8.1421 -8.1421 0.2922 0.2922 2.5215 2.5215 2.6140 2.6140 2.6300 2.6300 3.0602 3.0602 3.1573 3.1573 3.5312 3.5312 10.1351 10.1351 12.2294 12.2294 12.7209 12.7209 16.6621 16.6621 k = 0.1304 0.0753 0.0532 ( 2094 PWs) bands (ev): -15.9463 -15.9463 -15.3916 -15.3916 -10.7097 -10.7097 -10.6942 -10.6942 -8.1850 -8.1850 -8.1440 -8.1440 -8.1399 -8.1399 0.2520 0.2520 2.5051 2.5051 2.6066 2.6066 2.6264 2.6264 3.0597 3.0597 3.1522 3.1522 3.5888 3.5888 10.1278 10.1278 12.1856 12.1856 12.7425 12.7425 16.7889 16.7889 k = 0.1413 0.0816 0.0577 ( 2094 PWs) bands (ev): -15.9409 -15.9409 -15.3965 -15.3965 -10.7095 -10.7095 -10.6915 -10.6915 -8.1834 -8.1834 -8.1429 -8.1429 -8.1373 -8.1373 0.2103 0.2103 2.4886 2.4886 2.5987 2.5987 2.6224 2.6224 3.0587 3.0587 3.1467 3.1467 3.6485 3.6485 10.1193 10.1193 12.1442 12.1442 12.7655 12.7655 16.9175 16.9175 k = 0.1522 0.0879 0.0621 ( 2100 PWs) bands (ev): -15.9352 -15.9352 -15.4017 -15.4017 -10.7094 -10.7094 -10.6888 -10.6888 -8.1819 -8.1819 -8.1417 -8.1417 -8.1344 -8.1344 0.1675 0.1675 2.4719 2.4719 2.5905 2.5905 2.6183 2.6183 3.0573 3.0573 3.1409 3.1409 3.7097 3.7097 10.1096 10.1096 12.1058 12.1058 12.7899 12.7899 17.0465 17.0465 k = 0.1630 0.0941 0.0666 ( 2100 PWs) bands (ev): -15.9292 -15.9292 -15.4072 -15.4072 -10.7092 -10.7092 -10.6859 -10.6859 -8.1807 -8.1807 -8.1405 -8.1405 -8.1310 -8.1310 0.1239 0.1239 2.4551 2.4551 2.5818 2.5818 2.6141 2.6141 3.0556 3.0556 3.1348 3.1348 3.7722 3.7722 10.0987 10.0987 12.0708 12.0708 12.8155 12.8155 17.1746 17.1746 k = 0.1739 0.1004 0.0710 ( 2088 PWs) bands (ev): -15.9228 -15.9228 -15.4130 -15.4130 -10.7090 -10.7090 -10.6828 -10.6828 -8.1795 -8.1795 -8.1391 -8.1391 -8.1273 -8.1273 0.0798 0.0798 2.4381 2.4381 2.5729 2.5729 2.6096 2.6096 3.0536 3.0536 3.1285 3.1285 3.8357 3.8357 10.0867 10.0867 12.0395 12.0395 12.8423 12.8423 17.3005 17.3005 k = 0.1848 0.1067 0.0754 ( 2088 PWs) bands (ev): -15.9161 -15.9161 -15.4191 -15.4191 -10.7088 -10.7088 -10.6797 -10.6797 -8.1786 -8.1786 -8.1378 -8.1378 -8.1233 -8.1233 0.0353 0.0353 2.4209 2.4209 2.5637 2.5637 2.6051 2.6051 3.0514 3.0514 3.1219 3.1219 3.8998 3.8998 10.0735 10.0735 12.0121 12.0121 12.8701 12.8701 17.4229 17.4229 k = 0.1957 0.1130 0.0799 ( 2094 PWs) bands (ev): -15.9092 -15.9092 -15.4254 -15.4254 -10.7087 -10.7087 -10.6766 -10.6766 -8.1777 -8.1777 -8.1364 -8.1364 -8.1190 -8.1190 -0.0091 -0.0091 2.4036 2.4036 2.5542 2.5542 2.6004 2.6004 3.0490 3.0490 3.1151 3.1151 3.9642 3.9642 10.0594 10.0594 11.9886 11.9886 12.8989 12.8989 17.5406 17.5406 k = 0.2065 0.1192 0.0843 ( 2094 PWs) bands (ev): -15.9019 -15.9019 -15.4320 -15.4320 -10.7085 -10.7085 -10.6733 -10.6733 -8.1771 -8.1771 -8.1350 -8.1350 -8.1144 -8.1144 -0.0534 -0.0534 2.3862 2.3862 2.5446 2.5446 2.5956 2.5956 3.0465 3.0465 3.1081 3.1081 4.0287 4.0287 10.0445 10.0445 11.9690 11.9690 12.9284 12.9284 17.6526 17.6526 k = 0.2174 0.1255 0.0887 ( 2085 PWs) bands (ev): -15.8944 -15.8944 -15.4387 -15.4387 -10.7083 -10.7083 -10.6700 -10.6700 -8.1765 -8.1765 -8.1335 -8.1335 -8.1096 -8.1096 -0.0974 -0.0974 2.3687 2.3687 2.5348 2.5348 2.5908 2.5908 3.0437 3.0437 3.1009 3.1009 4.0930 4.0930 10.0288 10.0288 11.9531 11.9531 12.9585 12.9585 17.7579 17.7579 k = 0.2283 0.1318 0.0932 ( 2085 PWs) bands (ev): -15.8867 -15.8867 -15.4457 -15.4457 -10.7081 -10.7081 -10.6667 -10.6667 -8.1760 -8.1760 -8.1320 -8.1320 -8.1047 -8.1047 -0.1408 -0.1408 2.3512 2.3512 2.5249 2.5249 2.5859 2.5859 3.0409 3.0409 3.0937 3.0937 4.1569 4.1569 10.0126 10.0126 11.9410 11.9410 12.9892 12.9892 17.8556 17.8556 k = 0.2391 0.1381 0.0976 ( 2091 PWs) bands (ev): -15.8788 -15.8788 -15.4528 -15.4528 -10.7079 -10.7079 -10.6634 -10.6634 -8.1757 -8.1757 -8.1305 -8.1305 -8.0996 -8.0996 -0.1836 -0.1836 2.3337 2.3337 2.5150 2.5150 2.5810 2.5810 3.0380 3.0380 3.0863 3.0863 4.2202 4.2202 9.9961 9.9961 11.9322 11.9322 13.0202 13.0202 17.9451 17.9451 k = 0.2500 0.1443 0.1021 ( 2091 PWs) bands (ev): -15.8707 -15.8707 -15.4601 -15.4601 -10.7077 -10.7077 -10.6601 -10.6601 -8.1754 -8.1754 -8.1289 -8.1289 -8.0944 -8.0944 -0.2255 -0.2255 2.3163 2.3163 2.5051 2.5051 2.5761 2.5761 3.0349 3.0349 3.0789 3.0789 4.2826 4.2826 9.9794 9.9794 11.9266 11.9266 13.0515 13.0515 18.0261 18.0261 k = 0.2609 0.1506 0.1065 ( 2091 PWs) bands (ev): -15.8624 -15.8624 -15.4676 -15.4676 -10.7075 -10.7075 -10.6568 -10.6568 -8.1752 -8.1752 -8.1274 -8.1274 -8.0891 -8.0891 -0.2664 -0.2664 2.2990 2.2990 2.4952 2.4952 2.5713 2.5713 3.0319 3.0319 3.0715 3.0715 4.3440 4.3440 9.9627 9.9627 11.9239 11.9239 13.0828 13.0828 18.0982 18.0982 k = 0.2717 0.1569 0.1109 ( 2094 PWs) bands (ev): -15.8540 -15.8540 -15.4752 -15.4752 -10.7073 -10.7073 -10.6536 -10.6536 -8.1750 -8.1750 -8.1259 -8.1259 -8.0839 -8.0839 -0.3063 -0.3063 2.2818 2.2818 2.4854 2.4854 2.5665 2.5665 3.0287 3.0287 3.0641 3.0641 4.4041 4.4041 9.9461 9.9461 11.9238 11.9238 13.1141 13.1141 18.1617 18.1617 k = 0.2826 0.1632 0.1154 ( 2081 PWs) bands (ev): -15.8454 -15.8454 -15.4829 -15.4829 -10.7071 -10.7071 -10.6503 -10.6503 -8.1749 -8.1749 -8.1244 -8.1244 -8.0786 -8.0786 -0.3449 -0.3449 2.2649 2.2649 2.4757 2.4757 2.5618 2.5618 3.0256 3.0256 3.0568 3.0568 4.4628 4.4628 9.9300 9.9300 11.9260 11.9260 13.1452 13.1452 18.2167 18.2167 k = 0.2935 0.1694 0.1198 ( 2087 PWs) bands (ev): -15.8368 -15.8368 -15.4907 -15.4907 -10.7069 -10.7069 -10.6472 -10.6472 -8.1748 -8.1748 -8.1229 -8.1229 -8.0734 -8.0734 -0.3822 -0.3822 2.2482 2.2482 2.4662 2.4662 2.5572 2.5572 3.0225 3.0225 3.0495 3.0495 4.5199 4.5199 9.9143 9.9143 11.9302 11.9302 13.1759 13.1759 18.2637 18.2637 k = 0.3043 0.1757 0.1242 ( 2096 PWs) bands (ev): -15.8280 -15.8280 -15.4985 -15.4985 -10.7067 -10.7067 -10.6441 -10.6441 -8.1748 -8.1748 -8.1215 -8.1215 -8.0682 -8.0682 -0.4180 -0.4180 2.2319 2.2319 2.4569 2.4569 2.5527 2.5527 3.0194 3.0194 3.0424 3.0424 4.5751 4.5751 9.8992 9.8992 11.9361 11.9361 13.2061 13.2061 18.3032 18.3032 k = 0.3152 0.1820 0.1287 ( 2096 PWs) bands (ev): -15.8192 -15.8192 -15.5065 -15.5065 -10.7065 -10.7065 -10.6412 -10.6412 -8.1747 -8.1747 -8.1200 -8.1200 -8.0632 -8.0632 -0.4524 -0.4524 2.2160 2.2160 2.4478 2.4478 2.5483 2.5483 3.0164 3.0164 3.0354 3.0354 4.6284 4.6284 9.8848 9.8848 11.9434 11.9434 13.2356 13.2356 18.3359 18.3359 k = 0.3261 0.1883 0.1331 ( 2096 PWs) bands (ev): -15.8103 -15.8103 -15.5145 -15.5145 -10.7063 -10.7063 -10.6383 -10.6383 -8.1747 -8.1747 -8.1186 -8.1186 -8.0583 -8.0583 -0.4852 -0.4852 2.2006 2.2006 2.4390 2.4390 2.5441 2.5441 3.0134 3.0134 3.0286 3.0286 4.6796 4.6796 9.8712 9.8712 11.9517 11.9517 13.2644 13.2644 18.3626 18.3626 k = 0.3370 0.1945 0.1376 ( 2102 PWs) bands (ev): -15.8014 -15.8014 -15.5226 -15.5226 -10.7062 -10.7062 -10.6355 -10.6355 -8.1748 -8.1748 -8.1173 -8.1173 -8.0536 -8.0536 -0.5163 -0.5163 2.1857 2.1857 2.4306 2.4306 2.5401 2.5401 3.0105 3.0105 3.0220 3.0220 4.7285 4.7285 9.8584 9.8584 11.9610 11.9610 13.2922 13.2922 18.3840 18.3840 k = 0.3478 0.2008 0.1420 ( 2096 PWs) bands (ev): -15.7925 -15.7925 -15.5306 -15.5306 -10.7060 -10.7060 -10.6329 -10.6329 -8.1748 -8.1748 -8.1160 -8.1160 -8.0490 -8.0490 -0.5457 -0.5457 2.1715 2.1715 2.4225 2.4225 2.5363 2.5363 3.0077 3.0077 3.0157 3.0157 4.7750 4.7750 9.8465 9.8465 11.9708 11.9708 13.3189 13.3189 18.4008 18.4008 k = 0.3587 0.2071 0.1464 ( 2096 PWs) bands (ev): -15.7836 -15.7836 -15.5387 -15.5387 -10.7059 -10.7059 -10.6304 -10.6304 -8.1748 -8.1748 -8.1148 -8.1148 -8.0446 -8.0446 -0.5733 -0.5733 2.1579 2.1579 2.4148 2.4148 2.5326 2.5326 3.0050 3.0050 3.0097 3.0097 4.8189 4.8189 9.8356 9.8356 11.9809 11.9809 13.3445 13.3445 18.4139 18.4139 k = 0.3696 0.2134 0.1509 ( 2099 PWs) bands (ev): -15.7747 -15.7747 -15.5468 -15.5468 -10.7057 -10.7057 -10.6280 -10.6280 -8.1749 -8.1749 -8.1136 -8.1136 -8.0405 -8.0405 -0.5991 -0.5991 2.1450 2.1450 2.4076 2.4076 2.5292 2.5292 3.0025 3.0025 3.0039 3.0039 4.8602 4.8602 9.8256 9.8256 11.9912 11.9912 13.3687 13.3687 18.4239 18.4239 k = 0.3804 0.2196 0.1553 ( 2093 PWs) bands (ev): -15.7659 -15.7659 -15.5549 -15.5549 -10.7056 -10.7056 -10.6258 -10.6258 -8.1749 -8.1749 -8.1125 -8.1125 -8.0366 -8.0366 -0.6230 -0.6230 2.1329 2.1329 2.4008 2.4008 2.5260 2.5260 2.9986 2.9986 3.0001 3.0001 4.8986 4.8986 9.8165 9.8165 12.0014 12.0014 13.3914 13.3914 18.4313 18.4313 k = 0.3913 0.2259 0.1597 ( 2087 PWs) bands (ev): -15.7572 -15.7572 -15.5629 -15.5629 -10.7054 -10.7054 -10.6237 -10.6237 -8.1749 -8.1749 -8.1115 -8.1115 -8.0330 -8.0330 -0.6449 -0.6449 2.1217 2.1217 2.3945 2.3945 2.5231 2.5231 2.9936 2.9936 2.9978 2.9978 4.9341 4.9341 9.8083 9.8083 12.0114 12.0114 13.4126 13.4126 18.4367 18.4367 k = 0.4022 0.2322 0.1642 ( 2078 PWs) bands (ev): -15.7485 -15.7485 -15.5708 -15.5708 -10.7053 -10.7053 -10.6219 -10.6219 -8.1750 -8.1750 -8.1105 -8.1105 -8.0297 -8.0297 -0.6649 -0.6649 2.1114 2.1114 2.3887 2.3887 2.5204 2.5204 2.9890 2.9890 2.9958 2.9958 4.9665 4.9665 9.8010 9.8010 12.0209 12.0209 13.4321 13.4321 18.4407 18.4407 k = 0.4130 0.2385 0.1686 ( 2078 PWs) bands (ev): -15.7401 -15.7401 -15.5786 -15.5786 -10.7052 -10.7052 -10.6202 -10.6202 -8.1750 -8.1750 -8.1097 -8.1097 -8.0267 -8.0267 -0.6829 -0.6829 2.1020 2.1020 2.3835 2.3835 2.5180 2.5180 2.9848 2.9848 2.9939 2.9939 4.9958 4.9958 9.7946 9.7946 12.0298 12.0298 13.4498 13.4498 18.4434 18.4434 k = 0.4239 0.2447 0.1731 ( 2084 PWs) bands (ev): -15.7319 -15.7319 -15.5863 -15.5863 -10.7051 -10.7051 -10.6187 -10.6187 -8.1751 -8.1751 -8.1089 -8.1089 -8.0240 -8.0240 -0.6988 -0.6988 2.0936 2.0936 2.3788 2.3788 2.5158 2.5158 2.9810 2.9810 2.9922 2.9922 5.0219 5.0219 9.7890 9.7890 12.0380 12.0380 13.4656 13.4656 18.4454 18.4454 k = 0.4348 0.2510 0.1775 ( 2084 PWs) bands (ev): -15.7241 -15.7241 -15.5937 -15.5937 -10.7050 -10.7050 -10.6174 -10.6174 -8.1751 -8.1751 -8.1082 -8.1082 -8.0217 -8.0217 -0.7127 -0.7127 2.0863 2.0863 2.3747 2.3747 2.5139 2.5139 2.9777 2.9777 2.9907 2.9907 5.0446 5.0446 9.7843 9.7843 12.0454 12.0454 13.4795 13.4795 18.4468 18.4468 k = 0.4457 0.2573 0.1819 ( 2087 PWs) bands (ev): -15.7166 -15.7166 -15.6007 -15.6007 -10.7050 -10.7050 -10.6163 -10.6163 -8.1751 -8.1751 -8.1077 -8.1077 -8.0197 -8.0197 -0.7244 -0.7244 2.0800 2.0800 2.3712 2.3712 2.5123 2.5123 2.9749 2.9749 2.9894 2.9894 5.0640 5.0640 9.7803 9.7803 12.0518 12.0518 13.4914 13.4914 18.4477 18.4477 k = 0.4565 0.2636 0.1864 ( 2090 PWs) bands (ev): -15.7097 -15.7097 -15.6072 -15.6072 -10.7049 -10.7049 -10.6153 -10.6153 -8.1752 -8.1752 -8.1072 -8.1072 -8.0181 -8.0181 -0.7341 -0.7341 2.0748 2.0748 2.3683 2.3683 2.5110 2.5110 2.9726 2.9726 2.9884 2.9884 5.0799 5.0799 9.7772 9.7772 12.0571 12.0571 13.5012 13.5012 18.4484 18.4484 k = 0.4674 0.2698 0.1908 ( 2090 PWs) bands (ev): -15.7037 -15.7037 -15.6130 -15.6130 -10.7049 -10.7049 -10.6146 -10.6146 -8.1752 -8.1752 -8.1068 -8.1068 -8.0168 -8.0168 -0.7416 -0.7416 2.0707 2.0707 2.3661 2.3661 2.5100 2.5100 2.9708 2.9708 2.9876 2.9876 5.0924 5.0924 9.7747 9.7747 12.0614 12.0614 13.5089 13.5089 18.4489 18.4489 k = 0.4783 0.2761 0.1952 ( 2090 PWs) bands (ev): -15.6989 -15.6989 -15.6176 -15.6176 -10.7048 -10.7048 -10.6141 -10.6141 -8.1752 -8.1752 -8.1066 -8.1066 -8.0158 -8.0158 -0.7470 -0.7470 2.0678 2.0678 2.3645 2.3645 2.5092 2.5092 2.9694 2.9694 2.9870 2.9870 5.1013 5.1013 9.7730 9.7730 12.0644 12.0644 13.5144 13.5144 18.4493 18.4493 k = 0.4891 0.2824 0.1997 ( 2102 PWs) bands (ev): -15.6958 -15.6958 -15.6207 -15.6207 -10.7049 -10.7049 -10.6138 -10.6138 -8.1752 -8.1752 -8.1064 -8.1064 -8.0153 -8.0153 -0.7502 -0.7502 2.0660 2.0660 2.3635 2.3635 2.5088 2.5088 2.9686 2.9686 2.9866 2.9866 5.1066 5.1066 9.7719 9.7719 12.0663 12.0663 13.5177 13.5177 18.4494 18.4494 k = 0.5000 0.2887 0.2041 ( 2120 PWs) bands (ev): -15.6947 -15.6947 -15.6218 -15.6218 -10.7049 -10.7049 -10.6138 -10.6138 -8.1753 -8.1753 -8.1064 -8.1064 -8.0152 -8.0152 -0.7513 -0.7513 2.0654 2.0654 2.3631 2.3631 2.5086 2.5086 2.9683 2.9683 2.9865 2.9865 5.1084 5.1084 9.7716 9.7716 12.0669 12.0669 13.5189 13.5189 18.4495 18.4495 k = 0.5000 0.2887 0.2041 ( 2120 PWs) bands (ev): -15.6947 -15.6947 -15.6218 -15.6218 -10.7049 -10.7049 -10.6138 -10.6138 -8.1753 -8.1753 -8.1064 -8.1064 -8.0152 -8.0152 -0.7513 -0.7513 2.0654 2.0654 2.3631 2.3631 2.5086 2.5086 2.9683 2.9683 2.9865 2.9865 5.1084 5.1084 9.7716 9.7716 12.0669 12.0669 13.5189 13.5189 18.4495 18.4495 k = 0.5038 0.2777 0.2103 ( 2096 PWs) bands (ev): -15.6946 -15.6946 -15.6218 -15.6218 -10.7047 -10.7047 -10.6138 -10.6138 -8.1751 -8.1751 -8.1063 -8.1063 -8.0152 -8.0152 -0.7522 -0.7522 2.0646 2.0646 2.3623 2.3623 2.5076 2.5076 2.9701 2.9701 2.9884 2.9884 5.1084 5.1084 9.7725 9.7725 12.0661 12.0661 13.5168 13.5168 18.4002 18.4002 k = 0.5076 0.2668 0.2165 ( 2094 PWs) bands (ev): -15.6943 -15.6943 -15.6219 -15.6219 -10.7045 -10.7045 -10.6138 -10.6138 -8.1747 -8.1747 -8.1063 -8.1063 -8.0153 -8.0153 -0.7549 -0.7549 2.0621 2.0621 2.3599 2.3599 2.5047 2.5047 2.9753 2.9753 2.9941 2.9941 5.1083 5.1083 9.7754 9.7754 12.0638 12.0638 13.5107 13.5107 18.2889 18.2889 k = 0.5114 0.2559 0.2227 ( 2094 PWs) bands (ev): -15.6939 -15.6939 -15.6222 -15.6222 -10.7041 -10.7041 -10.6139 -10.6139 -8.1741 -8.1741 -8.1062 -8.1062 -8.0155 -8.0155 -0.7594 -0.7594 2.0577 2.0577 2.3559 2.3559 2.5003 2.5003 2.9832 2.9832 3.0036 3.0036 5.1082 5.1082 9.7801 9.7801 12.0598 12.0598 13.5007 13.5007 18.1551 18.1551 k = 0.5152 0.2449 0.2289 ( 2094 PWs) bands (ev): -15.6934 -15.6934 -15.6225 -15.6225 -10.7035 -10.7035 -10.6140 -10.6140 -8.1732 -8.1732 -8.1060 -8.1060 -8.0158 -8.0158 -0.7656 -0.7656 2.0514 2.0514 2.3504 2.3504 2.4952 2.4952 2.9935 2.9935 3.0169 3.0169 5.1080 5.1080 9.7866 9.7866 12.0541 12.0541 13.4872 13.4872 18.0137 18.0137 k = 0.5189 0.2340 0.2351 ( 2095 PWs) bands (ev): -15.6928 -15.6928 -15.6229 -15.6229 -10.7029 -10.7029 -10.6142 -10.6142 -8.1722 -8.1722 -8.1058 -8.1058 -8.0161 -8.0161 -0.7735 -0.7735 2.0430 2.0430 2.3433 2.3433 2.4902 2.4902 3.0056 3.0056 3.0336 3.0336 5.1078 5.1078 9.7949 9.7949 12.0468 12.0468 13.4705 13.4705 17.8699 17.8699 k = 0.5227 0.2231 0.2412 ( 2095 PWs) bands (ev): -15.6919 -15.6919 -15.6234 -15.6234 -10.7020 -10.7020 -10.6144 -10.6144 -8.1709 -8.1709 -8.1056 -8.1056 -8.0166 -8.0166 -0.7830 -0.7830 2.0325 2.0325 2.3344 2.3344 2.4865 2.4865 3.0191 3.0191 3.0532 3.0532 5.1076 5.1076 9.8049 9.8049 12.0377 12.0377 13.4512 13.4512 17.7260 17.7260 k = 0.5265 0.2121 0.2474 ( 2095 PWs) bands (ev): -15.6910 -15.6910 -15.6240 -15.6240 -10.7010 -10.7010 -10.6147 -10.6147 -8.1694 -8.1694 -8.1053 -8.1053 -8.0171 -8.0171 -0.7940 -0.7940 2.0198 2.0198 2.3235 2.3235 2.4850 2.4850 3.0338 3.0338 3.0752 3.0752 5.1074 5.1074 9.8165 9.8165 12.0268 12.0268 13.4296 13.4296 17.5833 17.5833 k = 0.5303 0.2012 0.2536 ( 2095 PWs) bands (ev): -15.6899 -15.6899 -15.6247 -15.6247 -10.6999 -10.6999 -10.6150 -10.6150 -8.1677 -8.1677 -8.1049 -8.1049 -8.0177 -8.0177 -0.8063 -0.8063 2.0052 2.0052 2.3103 2.3103 2.4865 2.4865 3.0495 3.0495 3.0990 3.0990 5.1072 5.1072 9.8296 9.8296 12.0140 12.0140 13.4065 13.4065 17.4422 17.4422 k = 0.5341 0.1903 0.2598 ( 2096 PWs) bands (ev): -15.6887 -15.6887 -15.6254 -15.6254 -10.6987 -10.6987 -10.6153 -10.6153 -8.1658 -8.1658 -8.1045 -8.1045 -8.0183 -8.0183 -0.8200 -0.8200 1.9886 1.9886 2.2948 2.2948 2.4914 2.4914 3.0658 3.0658 3.1243 3.1243 5.1071 5.1071 9.8440 9.8440 11.9993 11.9993 13.3824 13.3824 17.3033 17.3033 k = 0.5379 0.1793 0.2660 ( 2101 PWs) bands (ev): -15.6874 -15.6874 -15.6262 -15.6262 -10.6974 -10.6974 -10.6156 -10.6156 -8.1637 -8.1637 -8.1041 -8.1041 -8.0190 -8.0190 -0.8347 -0.8347 1.9705 1.9705 2.2772 2.2772 2.4996 2.4996 3.0827 3.0827 3.1504 3.1504 5.1069 5.1069 9.8596 9.8596 11.9828 11.9828 13.3579 13.3579 17.1668 17.1668 k = 0.5417 0.1684 0.2722 ( 2099 PWs) bands (ev): -15.6860 -15.6860 -15.6271 -15.6271 -10.6959 -10.6959 -10.6160 -10.6160 -8.1616 -8.1616 -8.1035 -8.1035 -8.0198 -8.0198 -0.8505 -0.8505 1.9512 1.9512 2.2578 2.2578 2.5110 2.5110 3.1000 3.1000 3.1772 3.1772 5.1069 5.1069 9.8762 9.8762 11.9644 11.9644 13.3336 13.3336 17.0330 17.0330 k = 0.5455 0.1575 0.2784 ( 2097 PWs) bands (ev): -15.6845 -15.6845 -15.6280 -15.6280 -10.6944 -10.6944 -10.6164 -10.6164 -8.1592 -8.1592 -8.1029 -8.1029 -8.0206 -8.0206 -0.8672 -0.8672 1.9308 1.9308 2.2370 2.2370 2.5253 2.5253 3.1175 3.1175 3.2043 3.2043 5.1070 5.1070 9.8936 9.8936 11.9443 11.9443 13.3098 13.3098 16.9021 16.9021 k = 0.5492 0.1465 0.2845 ( 2097 PWs) bands (ev): -15.6829 -15.6829 -15.6290 -15.6290 -10.6928 -10.6928 -10.6168 -10.6168 -8.1569 -8.1569 -8.1023 -8.1023 -8.0214 -8.0214 -0.8846 -0.8846 1.9097 1.9097 2.2151 2.2151 2.5421 2.5421 3.1350 3.1350 3.2315 3.2315 5.1071 5.1071 9.9115 9.9115 11.9228 11.9228 13.2870 13.2870 16.7743 16.7743 k = 0.5530 0.1356 0.2907 ( 2093 PWs) bands (ev): -15.6813 -15.6813 -15.6300 -15.6300 -10.6911 -10.6911 -10.6172 -10.6172 -8.1544 -8.1544 -8.1015 -8.1015 -8.0223 -8.0223 -0.9026 -0.9026 1.8882 1.8882 2.1923 2.1923 2.5611 2.5611 3.1525 3.1525 3.2584 3.2584 5.1074 5.1074 9.9297 9.9297 11.8999 11.8999 13.2657 13.2657 16.6496 16.6496 k = 0.5568 0.1247 0.2969 ( 2095 PWs) bands (ev): -15.6796 -15.6796 -15.6311 -15.6311 -10.6894 -10.6894 -10.6176 -10.6176 -8.1519 -8.1519 -8.1007 -8.1007 -8.0232 -8.0232 -0.9210 -0.9210 1.8665 1.8665 2.1690 2.1690 2.5820 2.5820 3.1699 3.1699 3.2848 3.2848 5.1078 5.1078 9.9479 9.9479 11.8762 11.8762 13.2460 13.2460 16.5283 16.5283 k = 0.5606 0.1137 0.3031 ( 2097 PWs) bands (ev): -15.6778 -15.6778 -15.6322 -15.6322 -10.6876 -10.6876 -10.6180 -10.6180 -8.1494 -8.1494 -8.0998 -8.0998 -8.0241 -8.0241 -0.9398 -0.9398 1.8448 1.8448 2.1453 2.1453 2.6043 2.6043 3.1871 3.1871 3.3107 3.3107 5.1084 5.1084 9.9656 9.9656 11.8520 11.8520 13.2281 13.2281 16.4105 16.4105 k = 0.5644 0.1028 0.3093 ( 2101 PWs) bands (ev): -15.6760 -15.6760 -15.6333 -15.6333 -10.6859 -10.6859 -10.6183 -10.6183 -8.1470 -8.1470 -8.0988 -8.0988 -8.0250 -8.0250 -0.9587 -0.9587 1.8232 1.8232 2.1215 2.1215 2.6280 2.6280 3.2040 3.2040 3.3357 3.3357 5.1091 5.1091 9.9826 9.9826 11.8277 11.8277 13.2122 13.2122 16.2963 16.2963 k = 0.5682 0.0919 0.3155 ( 2101 PWs) bands (ev): -15.6742 -15.6742 -15.6344 -15.6344 -10.6842 -10.6842 -10.6187 -10.6187 -8.1446 -8.1446 -8.0977 -8.0977 -8.0259 -8.0259 -0.9777 -0.9777 1.8021 1.8021 2.0976 2.0976 2.6527 2.6527 3.2206 3.2206 3.3598 3.3598 5.1100 5.1100 9.9985 9.9985 11.8040 11.8040 13.1982 13.1982 16.1858 16.1858 k = 0.5720 0.0809 0.3217 ( 2101 PWs) bands (ev): -15.6724 -15.6724 -15.6356 -15.6356 -10.6825 -10.6825 -10.6190 -10.6190 -8.1423 -8.1423 -8.0966 -8.0966 -8.0268 -8.0268 -0.9965 -0.9965 1.7814 1.7814 2.0739 2.0739 2.6783 2.6783 3.2368 3.2368 3.3828 3.3828 5.1111 5.1111 10.0127 10.0127 11.7814 11.7814 13.1863 13.1863 16.0792 16.0792 k = 0.5758 0.0700 0.3278 ( 2099 PWs) bands (ev): -15.6706 -15.6706 -15.6366 -15.6366 -10.6808 -10.6808 -10.6193 -10.6193 -8.1401 -8.1401 -8.0953 -8.0953 -8.0276 -8.0276 -1.0152 -1.0152 1.7613 1.7613 2.0504 2.0504 2.7045 2.7045 3.2526 3.2526 3.4046 3.4046 5.1122 5.1122 10.0250 10.0250 11.7606 11.7606 13.1762 13.1762 15.9765 15.9765 k = 0.5795 0.0590 0.3340 ( 2099 PWs) bands (ev): -15.6688 -15.6688 -15.6377 -15.6377 -10.6793 -10.6793 -10.6195 -10.6195 -8.1381 -8.1381 -8.0940 -8.0940 -8.0284 -8.0284 -1.0334 -1.0334 1.7419 1.7419 2.0272 2.0272 2.7311 2.7311 3.2680 3.2680 3.4251 3.4251 5.1135 5.1135 10.0348 10.0348 11.7421 11.7421 13.1680 13.1680 15.8779 15.8779 k = 0.5833 0.0481 0.3402 ( 2095 PWs) bands (ev): -15.6672 -15.6672 -15.6386 -15.6386 -10.6778 -10.6778 -10.6196 -10.6196 -8.1363 -8.1363 -8.0926 -8.0926 -8.0291 -8.0291 -1.0512 -1.0512 1.7234 1.7234 2.0046 2.0046 2.7581 2.7581 3.2829 3.2829 3.4443 3.4443 5.1149 5.1149 10.0418 10.0418 11.7265 11.7265 13.1614 13.1614 15.7836 15.7836 k = 0.5871 0.0372 0.3464 ( 2103 PWs) bands (ev): -15.6657 -15.6657 -15.6395 -15.6395 -10.6764 -10.6764 -10.6197 -10.6197 -8.1346 -8.1346 -8.0912 -8.0912 -8.0297 -8.0297 -1.0684 -1.0684 1.7056 1.7056 1.9824 1.9824 2.7853 2.7853 3.2973 3.2973 3.4620 3.4620 5.1163 5.1163 10.0455 10.0455 11.7144 11.7144 13.1565 13.1565 15.6935 15.6935 k = 0.5909 0.0262 0.3526 ( 2101 PWs) bands (ev): -15.6643 -15.6643 -15.6401 -15.6401 -10.6751 -10.6751 -10.6197 -10.6197 -8.1331 -8.1331 -8.0897 -8.0897 -8.0302 -8.0302 -1.0849 -1.0849 1.6889 1.6889 1.9609 1.9609 2.8125 2.8125 3.3112 3.3112 3.4782 3.4782 5.1177 5.1177 10.0458 10.0458 11.7062 11.7062 13.1530 13.1530 15.6077 15.6077 k = 0.5947 0.0153 0.3588 ( 2100 PWs) bands (ev): -15.6633 -15.6633 -15.6406 -15.6406 -10.6740 -10.6740 -10.6196 -10.6196 -8.1319 -8.1319 -8.0884 -8.0884 -8.0305 -8.0305 -1.1005 -1.1005 1.6731 1.6731 1.9401 1.9401 2.8397 2.8397 3.3245 3.3245 3.4929 3.4929 5.1191 5.1191 10.0423 10.0423 11.7022 11.7022 13.1508 13.1508 15.5265 15.5265 k = 0.5985 0.0044 0.3649 ( 2102 PWs) bands (ev): -15.6626 -15.6626 -15.6407 -15.6407 -10.6731 -10.6731 -10.6194 -10.6194 -8.1308 -8.1308 -8.0871 -8.0871 -8.0307 -8.0307 -1.1153 -1.1153 1.6583 1.6583 1.9201 1.9201 2.8666 2.8666 3.3373 3.3373 3.5060 3.5060 5.1203 5.1203 10.0351 10.0351 11.7026 11.7026 13.1499 13.1499 15.4498 15.4498 k = 0.6023-0.0066 0.3711 ( 2104 PWs) bands (ev): -15.6623 -15.6623 -15.6404 -15.6404 -10.6723 -10.6723 -10.6192 -10.6192 -8.1299 -8.1299 -8.0859 -8.0859 -8.0307 -8.0307 -1.1291 -1.1291 1.6446 1.6446 1.9009 1.9009 2.8934 2.8934 3.3496 3.3496 3.5174 3.5174 5.1213 5.1213 10.0240 10.0240 11.7074 11.7074 13.1500 13.1500 15.3777 15.3777 k = 0.6061-0.0175 0.3773 ( 2104 PWs) bands (ev): -15.6625 -15.6625 -15.6397 -15.6397 -10.6716 -10.6716 -10.6189 -10.6189 -8.1291 -8.1291 -8.0849 -8.0849 -8.0305 -8.0305 -1.1417 -1.1417 1.6320 1.6320 1.8827 1.8827 2.9197 2.9197 3.3613 3.3613 3.5273 3.5273 5.1220 5.1220 10.0093 10.0093 11.7166 11.7166 13.1512 13.1512 15.3103 15.3103 k = 0.6098-0.0284 0.3835 ( 2106 PWs) bands (ev): -15.6631 -15.6631 -15.6387 -15.6387 -10.6712 -10.6712 -10.6185 -10.6185 -8.1285 -8.1285 -8.0841 -8.0841 -8.0302 -8.0302 -1.1532 -1.1532 1.6205 1.6205 1.8654 1.8654 2.9457 2.9457 3.3724 3.3724 3.5355 3.5355 5.1223 5.1223 9.9910 9.9910 11.7300 11.7300 13.1534 13.1534 15.2477 15.2477 k = 0.6136-0.0394 0.3897 ( 2107 PWs) bands (ev): -15.6641 -15.6641 -15.6373 -15.6373 -10.6709 -10.6709 -10.6180 -10.6180 -8.1281 -8.1281 -8.0836 -8.0836 -8.0297 -8.0297 -1.1635 -1.1635 1.6102 1.6102 1.8491 1.8491 2.9712 2.9712 3.3830 3.3830 3.5422 3.5422 5.1222 5.1222 9.9697 9.9697 11.7472 11.7472 13.1565 13.1565 15.1898 15.1898 k = 0.6174-0.0503 0.3959 ( 2108 PWs) bands (ev): -15.6654 -15.6654 -15.6356 -15.6356 -10.6707 -10.6707 -10.6175 -10.6175 -8.1278 -8.1278 -8.0832 -8.0832 -8.0290 -8.0290 -1.1724 -1.1724 1.6011 1.6011 1.8340 1.8340 2.9961 2.9961 3.3930 3.3930 3.5473 3.5473 5.1214 5.1214 9.9455 9.9455 11.7679 11.7679 13.1605 13.1605 15.1368 15.1368 k = 0.6212-0.0612 0.4021 ( 2104 PWs) bands (ev): -15.6671 -15.6671 -15.6336 -15.6336 -10.6707 -10.6707 -10.6169 -10.6169 -8.1276 -8.1276 -8.0830 -8.0830 -8.0282 -8.0282 -1.1800 -1.1800 1.5932 1.5932 1.8199 1.8199 3.0205 3.0205 3.4024 3.4024 3.5508 3.5508 5.1199 5.1199 9.9189 9.9189 11.7914 11.7914 13.1653 13.1653 15.0886 15.0886 k = 0.6250-0.0722 0.4082 ( 2097 PWs) bands (ev): -15.6690 -15.6690 -15.6315 -15.6315 -10.6709 -10.6709 -10.6163 -10.6163 -8.1275 -8.1275 -8.0831 -8.0831 -8.0273 -8.0273 -1.1861 -1.1861 1.5864 1.5864 1.8071 1.8071 3.0442 3.0442 3.4113 3.4113 3.5528 3.5528 5.1176 5.1176 9.8904 9.8904 11.8173 11.8173 13.1710 13.1710 15.0452 15.0452 k = 0.6250-0.0722 0.4082 ( 2097 PWs) bands (ev): -15.6690 -15.6690 -15.6315 -15.6315 -10.6709 -10.6709 -10.6163 -10.6163 -8.1275 -8.1275 -8.0831 -8.0831 -8.0273 -8.0273 -1.1861 -1.1861 1.5864 1.5864 1.8071 1.8071 3.0442 3.0442 3.4113 3.4113 3.5528 3.5528 5.1176 5.1176 9.8904 9.8904 11.8173 11.8173 13.1710 13.1710 15.0452 15.0452 k = 0.6184-0.0684 0.4190 ( 2105 PWs) bands (ev): -15.6690 -15.6690 -15.6315 -15.6315 -10.6708 -10.6708 -10.6164 -10.6164 -8.1275 -8.1275 -8.0831 -8.0831 -8.0274 -8.0274 -1.1862 -1.1862 1.5828 1.5828 1.8119 1.8119 3.0408 3.0408 3.4129 3.4129 3.5531 3.5531 5.1177 5.1177 9.8919 9.8919 11.8169 11.8169 13.1678 13.1678 15.0478 15.0478 k = 0.6118-0.0646 0.4297 ( 2111 PWs) bands (ev): -15.6688 -15.6688 -15.6316 -15.6316 -10.6707 -10.6707 -10.6165 -10.6165 -8.1274 -8.1274 -8.0830 -8.0830 -8.0276 -8.0276 -1.1867 -1.1867 1.5728 1.5728 1.8255 1.8255 3.0306 3.0306 3.4177 3.4177 3.5541 3.5541 5.1183 5.1183 9.8963 9.8963 11.8157 11.8157 13.1583 13.1583 15.0553 15.0553 k = 0.6053-0.0608 0.4405 ( 2111 PWs) bands (ev): -15.6686 -15.6686 -15.6318 -15.6318 -10.6704 -10.6704 -10.6167 -10.6167 -8.1271 -8.1271 -8.0828 -8.0828 -8.0279 -8.0279 -1.1874 -1.1874 1.5584 1.5584 1.8460 1.8460 3.0145 3.0145 3.4249 3.4249 3.5557 3.5557 5.1193 5.1193 9.9035 9.9035 11.8136 11.8136 13.1430 13.1430 15.0674 15.0674 k = 0.5987-0.0570 0.4512 ( 2111 PWs) bands (ev): -15.6682 -15.6682 -15.6321 -15.6321 -10.6701 -10.6701 -10.6169 -10.6169 -8.1267 -8.1267 -8.0825 -8.0825 -8.0283 -8.0283 -1.1884 -1.1884 1.5415 1.5415 1.8714 1.8714 2.9931 2.9931 3.4337 3.4337 3.5581 3.5581 5.1206 5.1206 9.9135 9.9135 11.8106 11.8106 13.1224 13.1224 15.0836 15.0836 k = 0.5921-0.0532 0.4620 ( 2107 PWs) bands (ev): -15.6678 -15.6678 -15.6325 -15.6325 -10.6697 -10.6697 -10.6172 -10.6172 -8.1263 -8.1263 -8.0822 -8.0822 -8.0289 -8.0289 -1.1897 -1.1897 1.5235 1.5235 1.9003 1.9003 2.9675 2.9675 3.4433 3.4433 3.5613 3.5613 5.1222 5.1222 9.9260 9.9260 11.8067 11.8067 13.0975 13.0975 15.1032 15.1032 k = 0.5855-0.0494 0.4727 ( 2103 PWs) bands (ev): -15.6672 -15.6672 -15.6330 -15.6330 -10.6691 -10.6691 -10.6176 -10.6176 -8.1258 -8.1258 -8.0818 -8.0818 -8.0295 -8.0295 -1.1912 -1.1912 1.5053 1.5053 1.9318 1.9318 2.9384 2.9384 3.4529 3.4529 3.5652 3.5652 5.1241 5.1241 9.9408 9.9408 11.8019 11.8019 13.0691 13.0691 15.1253 15.1253 k = 0.5789-0.0456 0.4835 ( 2104 PWs) bands (ev): -15.6665 -15.6665 -15.6335 -15.6335 -10.6685 -10.6685 -10.6180 -10.6180 -8.1252 -8.1252 -8.0813 -8.0813 -8.0303 -8.0303 -1.1929 -1.1929 1.4875 1.4875 1.9651 1.9651 2.9065 2.9065 3.4618 3.4618 3.5700 3.5700 5.1263 5.1263 9.9577 9.9577 11.7959 11.7959 13.0383 13.0383 15.1491 15.1491 k = 0.5724-0.0418 0.4942 ( 2108 PWs) bands (ev): -15.6658 -15.6658 -15.6342 -15.6342 -10.6679 -10.6679 -10.6184 -10.6184 -8.1246 -8.1246 -8.0807 -8.0807 -8.0312 -8.0312 -1.1947 -1.1947 1.4704 1.4704 1.9999 1.9999 2.8723 2.8723 3.4698 3.4698 3.5754 3.5754 5.1287 5.1287 9.9764 9.9764 11.7890 11.7890 13.0060 13.0060 15.1738 15.1738 k = 0.5658-0.0380 0.5049 ( 2116 PWs) bands (ev): -15.6649 -15.6649 -15.6350 -15.6350 -10.6672 -10.6672 -10.6190 -10.6190 -8.1240 -8.1240 -8.0801 -8.0801 -8.0321 -8.0321 -1.1967 -1.1967 1.4545 1.4545 2.0358 2.0358 2.8363 2.8363 3.4768 3.4768 3.5813 3.5813 5.1313 5.1313 9.9964 9.9964 11.7810 11.7810 12.9734 12.9734 15.1987 15.1987 k = 0.5592-0.0342 0.5157 ( 2116 PWs) bands (ev): -15.6639 -15.6639 -15.6358 -15.6358 -10.6665 -10.6665 -10.6195 -10.6195 -8.1233 -8.1233 -8.0793 -8.0793 -8.0331 -8.0331 -1.1987 -1.1987 1.4398 1.4398 2.0727 2.0727 2.7989 2.7989 3.4826 3.4826 3.5876 3.5876 5.1339 5.1339 10.0173 10.0173 11.7720 11.7720 12.9413 12.9413 15.2229 15.2229 k = 0.5526-0.0304 0.5264 ( 2116 PWs) bands (ev): -15.6628 -15.6628 -15.6368 -15.6368 -10.6658 -10.6658 -10.6200 -10.6200 -8.1227 -8.1227 -8.0786 -8.0786 -8.0341 -8.0341 -1.2008 -1.2008 1.4265 1.4265 2.1101 2.1101 2.7605 2.7605 3.4873 3.4873 3.5939 3.5939 5.1367 5.1367 10.0387 10.0387 11.7621 11.7621 12.9106 12.9106 15.2459 15.2459 k = 0.5461-0.0266 0.5372 ( 2118 PWs) bands (ev): -15.6616 -15.6616 -15.6379 -15.6379 -10.6650 -10.6650 -10.6205 -10.6205 -8.1221 -8.1221 -8.0777 -8.0777 -8.0352 -8.0352 -1.2029 -1.2029 1.4146 1.4146 2.1481 2.1481 2.7213 2.7213 3.4912 3.4912 3.6000 3.6000 5.1394 5.1394 10.0599 10.0599 11.7516 11.7516 12.8822 12.8822 15.2672 15.2672 k = 0.5395-0.0228 0.5479 ( 2116 PWs) bands (ev): -15.6603 -15.6603 -15.6391 -15.6391 -10.6643 -10.6643 -10.6210 -10.6210 -8.1216 -8.1216 -8.0769 -8.0769 -8.0362 -8.0362 -1.2049 -1.2049 1.4043 1.4043 2.1863 2.1863 2.6817 2.6817 3.4942 3.4942 3.6056 3.6056 5.1420 5.1420 10.0804 10.0804 11.7407 11.7407 12.8566 12.8566 15.2861 15.2861 k = 0.5329-0.0190 0.5587 ( 2117 PWs) bands (ev): -15.6588 -15.6588 -15.6405 -15.6405 -10.6637 -10.6637 -10.6215 -10.6215 -8.1211 -8.1211 -8.0761 -8.0761 -8.0371 -8.0371 -1.2068 -1.2068 1.3955 1.3955 2.2246 2.2246 2.6420 2.6420 3.4966 3.4966 3.6106 3.6106 5.1444 5.1444 10.0995 10.0995 11.7299 11.7299 12.8344 12.8344 15.3025 15.3025 k = 0.5263-0.0152 0.5694 ( 2126 PWs) bands (ev): -15.6572 -15.6572 -15.6420 -15.6420 -10.6632 -10.6632 -10.6219 -10.6219 -8.1207 -8.1207 -8.0753 -8.0753 -8.0380 -8.0380 -1.2084 -1.2084 1.3883 1.3883 2.2626 2.2626 2.6027 2.6027 3.4985 3.4985 3.6148 3.6148 5.1466 5.1466 10.1165 10.1165 11.7197 11.7197 12.8160 12.8160 15.3160 15.3160 k = 0.5197-0.0114 0.5801 ( 2130 PWs) bands (ev): -15.6555 -15.6555 -15.6436 -15.6436 -10.6627 -10.6627 -10.6222 -10.6222 -8.1204 -8.1204 -8.0746 -8.0746 -8.0388 -8.0388 -1.2099 -1.2099 1.3828 1.3828 2.2997 2.2997 2.5643 2.5643 3.4998 3.4998 3.6182 3.6182 5.1484 5.1484 10.1308 10.1308 11.7107 11.7107 12.8015 12.8015 15.3264 15.3264 k = 0.5132-0.0076 0.5909 ( 2128 PWs) bands (ev): -15.6537 -15.6537 -15.6454 -15.6454 -10.6623 -10.6623 -10.6225 -10.6225 -8.1201 -8.1201 -8.0740 -8.0740 -8.0394 -8.0394 -1.2109 -1.2109 1.3788 1.3788 2.3347 2.3347 2.5284 2.5284 3.5008 3.5008 3.6206 3.6206 5.1499 5.1499 10.1417 10.1417 11.7035 11.7035 12.7913 12.7913 15.3338 15.3338 k = 0.5066-0.0038 0.6016 ( 2122 PWs) bands (ev): -15.6517 -15.6517 -15.6473 -15.6473 -10.6621 -10.6621 -10.6226 -10.6226 -8.1200 -8.1200 -8.0737 -8.0737 -8.0398 -8.0398 -1.2116 -1.2116 1.3765 1.3765 2.3639 2.3639 2.4985 2.4985 3.5013 3.5013 3.6221 3.6221 5.1508 5.1508 10.1486 10.1486 11.6988 11.6988 12.7852 12.7852 15.3382 15.3382 k = 0.5000-0.0000 0.6124 ( 2120 PWs) bands (ev): -15.6501 -15.6501 -15.6489 -15.6489 -10.6620 -10.6620 -10.6227 -10.6227 -8.1199 -8.1199 -8.0735 -8.0735 -8.0399 -8.0399 -1.2119 -1.2119 1.3757 1.3757 2.3770 2.3770 2.4853 2.4853 3.5015 3.5015 3.6226 3.6226 5.1511 5.1511 10.1510 10.1510 11.6971 11.6971 12.7832 12.7832 15.3396 15.3396 k = 0.5000-0.0000 0.6124 ( 2120 PWs) bands (ev): -15.6501 -15.6501 -15.6489 -15.6489 -10.6620 -10.6620 -10.6227 -10.6227 -8.1199 -8.1199 -8.0735 -8.0735 -8.0399 -8.0399 -1.2119 -1.2119 1.3757 1.3757 2.3770 2.3770 2.4853 2.4853 3.5015 3.5015 3.6226 3.6226 5.1511 5.1511 10.1510 10.1510 11.6971 11.6971 12.7832 12.7832 15.3396 15.3396 k = 0.5000 0.0076 0.6016 ( 2126 PWs) bands (ev): -15.6501 -15.6501 -15.6489 -15.6489 -10.6621 -10.6621 -10.6227 -10.6227 -8.1200 -8.1200 -8.0736 -8.0736 -8.0399 -8.0399 -1.2112 -1.2112 1.3767 1.3767 2.3768 2.3768 2.4851 2.4851 3.5011 3.5011 3.6217 3.6217 5.1509 5.1509 10.1510 10.1510 11.6962 11.6962 12.7852 12.7852 15.3414 15.3414 k = 0.5000 0.0152 0.5909 ( 2130 PWs) bands (ev): -15.6502 -15.6502 -15.6490 -15.6490 -10.6622 -10.6622 -10.6227 -10.6227 -8.1202 -8.1202 -8.0740 -8.0740 -8.0397 -8.0397 -1.2092 -1.2092 1.3798 1.3798 2.3763 2.3763 2.4846 2.4846 3.4996 3.4996 3.6191 3.6191 5.1503 5.1503 10.1511 10.1511 11.6937 11.6937 12.7914 12.7914 15.3467 15.3467 k = 0.5000 0.0228 0.5801 ( 2132 PWs) bands (ev): -15.6505 -15.6505 -15.6489 -15.6489 -10.6625 -10.6625 -10.6227 -10.6227 -8.1204 -8.1204 -8.0745 -8.0745 -8.0395 -8.0395 -1.2057 -1.2057 1.3849 1.3849 2.3755 2.3755 2.4838 2.4838 3.4973 3.4973 3.6148 3.6148 5.1492 5.1492 10.1513 10.1513 11.6899 11.6899 12.8015 12.8015 15.3557 15.3557 k = 0.5000 0.0304 0.5694 ( 2128 PWs) bands (ev): -15.6509 -15.6509 -15.6486 -15.6486 -10.6629 -10.6629 -10.6226 -10.6226 -8.1207 -8.1207 -8.0752 -8.0752 -8.0392 -8.0392 -1.2010 -1.2010 1.3921 1.3921 2.3743 2.3743 2.4827 2.4827 3.4940 3.4940 3.6088 3.6088 5.1478 5.1478 10.1513 10.1513 11.6850 11.6850 12.8150 12.8150 15.3684 15.3684 k = 0.5000 0.0380 0.5587 ( 2124 PWs) bands (ev): -15.6515 -15.6515 -15.6483 -15.6483 -10.6635 -10.6635 -10.6226 -10.6226 -8.1212 -8.1212 -8.0761 -8.0761 -8.0389 -8.0389 -1.1948 -1.1948 1.4013 1.4013 2.3728 2.3728 2.4813 2.4813 3.4898 3.4898 3.6011 3.6011 5.1460 5.1460 10.1510 10.1510 11.6797 11.6797 12.8316 12.8316 15.3851 15.3851 k = 0.5000 0.0456 0.5479 ( 2120 PWs) bands (ev): -15.6523 -15.6523 -15.6478 -15.6478 -10.6641 -10.6641 -10.6226 -10.6226 -8.1217 -8.1217 -8.0772 -8.0772 -8.0384 -8.0384 -1.1874 -1.1874 1.4124 1.4124 2.3710 2.3710 2.4796 2.4796 3.4846 3.4846 3.5917 3.5917 5.1439 5.1439 10.1503 10.1503 11.6743 11.6743 12.8507 12.8507 15.4058 15.4058 k = 0.5000 0.0532 0.5372 ( 2120 PWs) bands (ev): -15.6533 -15.6533 -15.6472 -15.6472 -10.6649 -10.6649 -10.6225 -10.6225 -8.1224 -8.1224 -8.0784 -8.0784 -8.0379 -8.0379 -1.1788 -1.1788 1.4255 1.4255 2.3689 2.3689 2.4778 2.4778 3.4784 3.4784 3.5806 3.5806 5.1416 5.1416 10.1490 10.1490 11.6695 11.6695 12.8717 12.8717 15.4310 15.4310 k = 0.5000 0.0608 0.5264 ( 2120 PWs) bands (ev): -15.6543 -15.6543 -15.6466 -15.6466 -10.6657 -10.6657 -10.6224 -10.6224 -8.1232 -8.1232 -8.0798 -8.0798 -8.0373 -8.0373 -1.1689 -1.1689 1.4404 1.4404 2.3664 2.3664 2.4758 2.4758 3.4713 3.4713 3.5679 3.5679 5.1391 5.1391 10.1468 10.1468 11.6659 11.6659 12.8941 12.8941 15.4607 15.4607 k = 0.5000 0.0684 0.5157 ( 2112 PWs) bands (ev): -15.6555 -15.6555 -15.6458 -15.6458 -10.6667 -10.6667 -10.6223 -10.6223 -8.1241 -8.1241 -8.0813 -8.0813 -8.0366 -8.0366 -1.1578 -1.1578 1.4571 1.4571 2.3636 2.3636 2.4737 2.4737 3.4632 3.4632 3.5536 3.5536 5.1364 5.1364 10.1435 10.1435 11.6639 11.6639 12.9175 12.9175 15.4953 15.4953 k = 0.5000 0.0760 0.5049 ( 2108 PWs) bands (ev): -15.6569 -15.6569 -15.6450 -15.6450 -10.6678 -10.6678 -10.6221 -10.6221 -8.1251 -8.1251 -8.0828 -8.0828 -8.0358 -8.0358 -1.1456 -1.1456 1.4756 1.4756 2.3606 2.3606 2.4715 2.4715 3.4542 3.4542 3.5377 3.5377 5.1336 5.1336 10.1389 10.1389 11.6639 11.6639 12.9413 12.9413 15.5349 15.5349 k = 0.5000 0.0836 0.4942 ( 2106 PWs) bands (ev): -15.6583 -15.6583 -15.6442 -15.6442 -10.6691 -10.6691 -10.6220 -10.6220 -8.1263 -8.1263 -8.0844 -8.0844 -8.0350 -8.0350 -1.1324 -1.1324 1.4958 1.4958 2.3572 2.3572 2.4692 2.4692 3.4441 3.4441 3.5204 3.5204 5.1308 5.1308 10.1330 10.1330 11.6664 11.6664 12.9653 12.9653 15.5798 15.5798 k = 0.5000 0.0912 0.4835 ( 2106 PWs) bands (ev): -15.6598 -15.6598 -15.6432 -15.6432 -10.6704 -10.6704 -10.6217 -10.6217 -8.1277 -8.1277 -8.0861 -8.0861 -8.0342 -8.0342 -1.1181 -1.1181 1.5175 1.5175 2.3536 2.3536 2.4670 2.4670 3.4330 3.4330 3.5016 3.5016 5.1280 5.1280 10.1254 10.1254 11.6715 11.6715 12.9890 12.9890 15.6302 15.6302 k = 0.5000 0.0988 0.4727 ( 2100 PWs) bands (ev): -15.6614 -15.6614 -15.6422 -15.6422 -10.6718 -10.6718 -10.6215 -10.6215 -8.1292 -8.1292 -8.0878 -8.0878 -8.0333 -8.0333 -1.1030 -1.1030 1.5408 1.5408 2.3498 2.3498 2.4649 2.4649 3.4209 3.4209 3.4815 3.4815 5.1253 5.1253 10.1163 10.1163 11.6795 11.6795 13.0124 13.0124 15.6862 15.6862 k = 0.5000 0.1064 0.4620 ( 2102 PWs) bands (ev): -15.6631 -15.6631 -15.6412 -15.6412 -10.6734 -10.6734 -10.6212 -10.6212 -8.1309 -8.1309 -8.0894 -8.0894 -8.0324 -8.0324 -1.0870 -1.0870 1.5654 1.5654 2.3458 2.3458 2.4628 2.4628 3.4078 3.4078 3.4601 3.4601 5.1227 5.1227 10.1054 10.1054 11.6902 11.6902 13.0354 13.0354 15.7478 15.7478 k = 0.5000 0.1140 0.4512 ( 2102 PWs) bands (ev): -15.6648 -15.6648 -15.6402 -15.6402 -10.6750 -10.6750 -10.6209 -10.6209 -8.1327 -8.1327 -8.0910 -8.0910 -8.0314 -8.0314 -1.0702 -1.0702 1.5913 1.5913 2.3417 2.3417 2.4609 2.4609 3.3936 3.3936 3.4376 3.4376 5.1202 5.1202 10.0930 10.0930 11.7038 11.7038 13.0577 13.0577 15.8153 15.8153 k = 0.5000 0.1215 0.4405 ( 2098 PWs) bands (ev): -15.6666 -15.6666 -15.6391 -15.6391 -10.6766 -10.6766 -10.6206 -10.6206 -8.1347 -8.1347 -8.0925 -8.0925 -8.0304 -8.0304 -1.0528 -1.0528 1.6183 1.6183 2.3374 2.3374 2.4592 2.4592 3.3784 3.3784 3.4142 3.4142 5.1180 5.1180 10.0790 10.0790 11.7199 11.7199 13.0797 13.0797 15.8885 15.8885 k = 0.5000 0.1291 0.4297 ( 2094 PWs) bands (ev): -15.6684 -15.6684 -15.6379 -15.6379 -10.6784 -10.6784 -10.6202 -10.6202 -8.1368 -8.1368 -8.0940 -8.0940 -8.0294 -8.0294 -1.0348 -1.0348 1.6464 1.6464 2.3332 2.3332 2.4577 2.4577 3.3620 3.3620 3.3901 3.3901 5.1159 5.1159 10.0636 10.0636 11.7384 11.7384 13.1012 13.1012 15.9674 15.9674 k = 0.5000 0.1367 0.4190 ( 2094 PWs) bands (ev): -15.6703 -15.6703 -15.6368 -15.6368 -10.6801 -10.6801 -10.6198 -10.6198 -8.1391 -8.1391 -8.0953 -8.0953 -8.0284 -8.0284 -1.0164 -1.0164 1.6753 1.6753 2.3291 2.3291 2.4564 2.4564 3.3442 3.3442 3.3655 3.3655 5.1140 5.1140 10.0469 10.0469 11.7588 11.7588 13.1225 13.1225 16.0519 16.0519 k = 0.5000 0.1443 0.4082 ( 2100 PWs) bands (ev): -15.6722 -15.6722 -15.6357 -15.6357 -10.6820 -10.6820 -10.6194 -10.6194 -8.1415 -8.1415 -8.0966 -8.0966 -8.0273 -8.0273 -0.9977 -0.9977 1.7048 1.7048 2.3251 2.3251 2.4555 2.4555 3.3246 3.3246 3.3412 3.3412 5.1124 5.1124 10.0292 10.0292 11.7809 11.7809 13.1438 13.1438 16.1420 16.1420 k = 0.5000 0.1519 0.3975 ( 2098 PWs) bands (ev): -15.6740 -15.6740 -15.6345 -15.6345 -10.6838 -10.6838 -10.6190 -10.6190 -8.1440 -8.1440 -8.0978 -8.0978 -8.0263 -8.0263 -0.9787 -0.9787 1.7349 1.7349 2.3213 2.3213 2.4548 2.4548 3.3026 3.3026 3.3180 3.3180 5.1110 5.1110 10.0107 10.0107 11.8042 11.8042 13.1652 13.1652 16.2375 16.2375 k = 0.5000 0.1595 0.3868 ( 2098 PWs) bands (ev): -15.6759 -15.6759 -15.6334 -15.6334 -10.6856 -10.6856 -10.6186 -10.6186 -8.1465 -8.1465 -8.0989 -8.0989 -8.0253 -8.0253 -0.9597 -0.9597 1.7652 1.7652 2.3180 2.3180 2.4545 2.4545 3.2782 3.2782 3.2959 3.2959 5.1099 5.1099 9.9916 9.9916 11.8282 11.8282 13.1869 13.1869 16.3381 16.3381 k = 0.5000 0.1671 0.3760 ( 2096 PWs) bands (ev): -15.6777 -15.6777 -15.6323 -15.6323 -10.6874 -10.6874 -10.6181 -10.6181 -8.1491 -8.1491 -8.0998 -8.0998 -8.0243 -8.0243 -0.9407 -0.9407 1.7955 1.7955 2.3151 2.3151 2.4546 2.4546 3.2525 3.2525 3.2743 3.2743 5.1089 5.1089 9.9721 9.9721 11.8524 11.8524 13.2092 13.2092 16.4438 16.4438 k = 0.5000 0.1747 0.3653 ( 2098 PWs) bands (ev): -15.6795 -15.6795 -15.6312 -15.6312 -10.6892 -10.6892 -10.6177 -10.6177 -8.1516 -8.1516 -8.1007 -8.1007 -8.0233 -8.0233 -0.9218 -0.9218 1.8256 1.8256 2.3128 2.3128 2.4551 2.4551 3.2262 3.2262 3.2525 3.2525 5.1082 5.1082 9.9525 9.9525 11.8766 11.8766 13.2321 13.2321 16.5543 16.5543 k = 0.5000 0.1823 0.3545 ( 2098 PWs) bands (ev): -15.6812 -15.6812 -15.6301 -15.6301 -10.6910 -10.6910 -10.6172 -10.6172 -8.1542 -8.1542 -8.1015 -8.1015 -8.0224 -8.0224 -0.9033 -0.9033 1.8551 1.8551 2.3113 2.3113 2.4560 2.4560 3.1999 3.1999 3.2304 3.2304 5.1076 5.1076 9.9330 9.9330 11.9001 11.9001 13.2557 13.2557 16.6693 16.6693 k = 0.5000 0.1899 0.3438 ( 2098 PWs) bands (ev): -15.6829 -15.6829 -15.6291 -15.6291 -10.6927 -10.6927 -10.6168 -10.6168 -8.1567 -8.1567 -8.1023 -8.1023 -8.0215 -8.0215 -0.8852 -0.8852 1.8837 1.8837 2.3107 2.3107 2.4574 2.4574 3.1740 3.1740 3.2079 3.2079 5.1073 5.1073 9.9138 9.9138 11.9228 11.9228 13.2801 13.2801 16.7888 16.7888 k = 0.5000 0.1975 0.3330 ( 2090 PWs) bands (ev): -15.6845 -15.6845 -15.6281 -15.6281 -10.6943 -10.6943 -10.6164 -10.6164 -8.1591 -8.1591 -8.1029 -8.1029 -8.0206 -8.0206 -0.8677 -0.8677 1.9112 1.9112 2.3112 2.3112 2.4593 2.4593 3.1487 3.1487 3.1850 3.1850 5.1071 5.1071 9.8952 9.8952 11.9442 11.9442 13.3050 13.3050 16.9123 16.9123 k = 0.5000 0.2051 0.3223 ( 2092 PWs) bands (ev): -15.6860 -15.6860 -15.6271 -15.6271 -10.6958 -10.6958 -10.6160 -10.6160 -8.1614 -8.1614 -8.1035 -8.1035 -8.0198 -8.0198 -0.8510 -0.8510 1.9370 1.9370 2.3129 2.3129 2.4617 2.4617 3.1242 3.1242 3.1619 3.1619 5.1070 5.1070 9.8773 9.8773 11.9642 11.9642 13.3303 13.3303 17.0398 17.0398 k = 0.5000 0.2127 0.3116 ( 2094 PWs) bands (ev): -15.6874 -15.6874 -15.6262 -15.6262 -10.6973 -10.6973 -10.6156 -10.6156 -8.1637 -8.1637 -8.1040 -8.1040 -8.0190 -8.0190 -0.8352 -0.8352 1.9609 1.9609 2.3158 2.3158 2.4647 2.4647 3.1008 3.1008 3.1388 3.1388 5.1070 5.1070 9.8604 9.8604 11.9825 11.9825 13.3558 13.3558 17.1708 17.1708 k = 0.5000 0.2203 0.3008 ( 2094 PWs) bands (ev): -15.6887 -15.6887 -15.6254 -15.6254 -10.6986 -10.6986 -10.6153 -10.6153 -8.1657 -8.1657 -8.1045 -8.1045 -8.0183 -8.0183 -0.8203 -0.8203 1.9825 1.9825 2.3199 2.3199 2.4683 2.4683 3.0787 3.0787 3.1158 3.1158 5.1071 5.1071 9.8446 9.8446 11.9991 11.9991 13.3810 13.3810 17.3052 17.3052 k = 0.5000 0.2279 0.2901 ( 2092 PWs) bands (ev): -15.6899 -15.6899 -15.6247 -15.6247 -10.6999 -10.6999 -10.6150 -10.6150 -8.1676 -8.1676 -8.1049 -8.1049 -8.0177 -8.0177 -0.8066 -0.8066 2.0015 2.0015 2.3252 2.3252 2.4726 2.4726 3.0581 3.0581 3.0933 3.0933 5.1072 5.1072 9.8300 9.8300 12.0138 12.0138 13.4056 13.4056 17.4426 17.4426 k = 0.5000 0.2355 0.2793 ( 2090 PWs) bands (ev): -15.6910 -15.6910 -15.6240 -15.6240 -10.7010 -10.7010 -10.6147 -10.6147 -8.1693 -8.1693 -8.1052 -8.1052 -8.0171 -8.0171 -0.7942 -0.7942 2.0179 2.0179 2.3313 2.3313 2.4776 2.4776 3.0391 3.0391 3.0717 3.0717 5.1074 5.1074 9.8168 9.8168 12.0266 12.0266 13.4290 13.4290 17.5827 17.5827 k = 0.5000 0.2431 0.2686 ( 2094 PWs) bands (ev): -15.6919 -15.6919 -15.6234 -15.6234 -10.7020 -10.7020 -10.6144 -10.6144 -8.1708 -8.1708 -8.1056 -8.1056 -8.0166 -8.0166 -0.7832 -0.7832 2.0316 2.0316 2.3380 2.3380 2.4830 2.4830 3.0221 3.0221 3.0513 3.0513 5.1076 5.1076 9.8051 9.8051 12.0375 12.0375 13.4507 13.4507 17.7249 17.7249 k = 0.5000 0.2507 0.2578 ( 2092 PWs) bands (ev): -15.6927 -15.6927 -15.6229 -15.6229 -10.7028 -10.7028 -10.6142 -10.6142 -8.1722 -8.1722 -8.1058 -8.1058 -8.0161 -8.0161 -0.7736 -0.7736 2.0426 2.0426 2.3446 2.3446 2.4888 2.4888 3.0070 3.0070 3.0328 3.0328 5.1078 5.1078 9.7951 9.7951 12.0467 12.0467 13.4703 13.4703 17.8685 17.8685 k = 0.5000 0.2583 0.2471 ( 2090 PWs) bands (ev): -15.6934 -15.6934 -15.6225 -15.6225 -10.7035 -10.7035 -10.6140 -10.6140 -8.1732 -8.1732 -8.1060 -8.1060 -8.0158 -8.0158 -0.7657 -0.7657 2.0512 2.0512 2.3507 2.3507 2.4947 2.4947 2.9941 2.9941 3.0167 3.0167 5.1080 5.1080 9.7867 9.7867 12.0541 12.0541 13.4871 13.4871 18.0123 18.0123 k = 0.5000 0.2659 0.2364 ( 2090 PWs) bands (ev): -15.6939 -15.6939 -15.6222 -15.6222 -10.7041 -10.7041 -10.6139 -10.6139 -8.1741 -8.1741 -8.1062 -8.1062 -8.0155 -8.0155 -0.7595 -0.7595 2.0577 2.0577 2.3559 2.3559 2.5002 2.5002 2.9834 2.9834 3.0036 3.0036 5.1082 5.1082 9.7801 9.7801 12.0597 12.0597 13.5006 13.5006 18.1540 18.1540 k = 0.5000 0.2735 0.2256 ( 2098 PWs) bands (ev): -15.6943 -15.6943 -15.6219 -15.6219 -10.7045 -10.7045 -10.6138 -10.6138 -8.1747 -8.1747 -8.1063 -8.1063 -8.0153 -8.0153 -0.7549 -0.7549 2.0620 2.0620 2.3599 2.3599 2.5046 2.5046 2.9753 2.9753 2.9941 2.9941 5.1083 5.1083 9.7754 9.7754 12.0637 12.0637 13.5107 13.5107 18.2882 18.2882 k = 0.5000 0.2811 0.2149 ( 2104 PWs) bands (ev): -15.6946 -15.6946 -15.6218 -15.6218 -10.7048 -10.7048 -10.6138 -10.6138 -8.1751 -8.1751 -8.1064 -8.1064 -8.0152 -8.0152 -0.7522 -0.7522 2.0646 2.0646 2.3623 2.3623 2.5076 2.5076 2.9701 2.9701 2.9884 2.9884 5.1084 5.1084 9.7725 9.7725 12.0661 12.0661 13.5168 13.5168 18.4000 18.4000 k = 0.5000 0.2887 0.2041 ( 2120 PWs) bands (ev): -15.6947 -15.6947 -15.6218 -15.6218 -10.7049 -10.7049 -10.6138 -10.6138 -8.1753 -8.1753 -8.1064 -8.1064 -8.0152 -8.0152 -0.7513 -0.7513 2.0654 2.0654 2.3631 2.3631 2.5086 2.5086 2.9683 2.9683 2.9865 2.9865 5.1084 5.1084 9.7716 9.7716 12.0669 12.0669 13.5189 13.5189 18.4495 18.4495 k = 0.5000 0.2887 0.2041 ( 2120 PWs) bands (ev): -15.6947 -15.6947 -15.6218 -15.6218 -10.7049 -10.7049 -10.6138 -10.6138 -8.1753 -8.1753 -8.1064 -8.1064 -8.0152 -8.0152 -0.7513 -0.7513 2.0654 2.0654 2.3631 2.3631 2.5086 2.5086 2.9683 2.9683 2.9865 2.9865 5.1084 5.1084 9.7716 9.7716 12.0669 12.0669 13.5189 13.5189 18.4495 18.4495 k = 0.4962 0.2865 0.2165 ( 2096 PWs) bands (ev): -15.6946 -15.6946 -15.6218 -15.6218 -10.7047 -10.7047 -10.6138 -10.6138 -8.1751 -8.1751 -8.1063 -8.1063 -8.0152 -8.0152 -0.7522 -0.7522 2.0646 2.0646 2.3623 2.3623 2.5076 2.5076 2.9701 2.9701 2.9884 2.9884 5.1084 5.1084 9.7725 9.7725 12.0661 12.0661 13.5168 13.5168 18.4002 18.4002 k = 0.4924 0.2843 0.2289 ( 2094 PWs) bands (ev): -15.6943 -15.6943 -15.6219 -15.6219 -10.7045 -10.7045 -10.6138 -10.6138 -8.1747 -8.1747 -8.1063 -8.1063 -8.0153 -8.0153 -0.7549 -0.7549 2.0621 2.0621 2.3599 2.3599 2.5047 2.5047 2.9753 2.9753 2.9941 2.9941 5.1083 5.1083 9.7754 9.7754 12.0638 12.0638 13.5107 13.5107 18.2889 18.2889 k = 0.4886 0.2821 0.2412 ( 2094 PWs) bands (ev): -15.6939 -15.6939 -15.6222 -15.6222 -10.7041 -10.7041 -10.6139 -10.6139 -8.1741 -8.1741 -8.1062 -8.1062 -8.0155 -8.0155 -0.7594 -0.7594 2.0577 2.0577 2.3559 2.3559 2.5003 2.5003 2.9832 2.9832 3.0036 3.0036 5.1082 5.1082 9.7801 9.7801 12.0598 12.0598 13.5007 13.5007 18.1551 18.1551 k = 0.4848 0.2799 0.2536 ( 2094 PWs) bands (ev): -15.6934 -15.6934 -15.6225 -15.6225 -10.7035 -10.7035 -10.6140 -10.6140 -8.1732 -8.1732 -8.1060 -8.1060 -8.0158 -8.0158 -0.7656 -0.7656 2.0514 2.0514 2.3504 2.3504 2.4952 2.4952 2.9935 2.9935 3.0169 3.0169 5.1080 5.1080 9.7866 9.7866 12.0541 12.0541 13.4872 13.4872 18.0137 18.0137 k = 0.4811 0.2777 0.2660 ( 2095 PWs) bands (ev): -15.6928 -15.6928 -15.6229 -15.6229 -10.7029 -10.7029 -10.6142 -10.6142 -8.1722 -8.1722 -8.1058 -8.1058 -8.0161 -8.0161 -0.7735 -0.7735 2.0430 2.0430 2.3433 2.3433 2.4902 2.4902 3.0056 3.0056 3.0336 3.0336 5.1078 5.1078 9.7949 9.7949 12.0468 12.0468 13.4705 13.4705 17.8699 17.8699 k = 0.4773 0.2756 0.2784 ( 2095 PWs) bands (ev): -15.6919 -15.6919 -15.6234 -15.6234 -10.7020 -10.7020 -10.6144 -10.6144 -8.1709 -8.1709 -8.1056 -8.1056 -8.0166 -8.0166 -0.7830 -0.7830 2.0325 2.0325 2.3344 2.3344 2.4865 2.4865 3.0191 3.0191 3.0532 3.0532 5.1076 5.1076 9.8049 9.8049 12.0377 12.0377 13.4512 13.4512 17.7260 17.7260 k = 0.4735 0.2734 0.2907 ( 2095 PWs) bands (ev): -15.6910 -15.6910 -15.6240 -15.6240 -10.7010 -10.7010 -10.6147 -10.6147 -8.1694 -8.1694 -8.1053 -8.1053 -8.0171 -8.0171 -0.7940 -0.7940 2.0198 2.0198 2.3235 2.3235 2.4850 2.4850 3.0338 3.0338 3.0752 3.0752 5.1074 5.1074 9.8165 9.8165 12.0268 12.0268 13.4296 13.4296 17.5833 17.5833 k = 0.4697 0.2712 0.3031 ( 2095 PWs) bands (ev): -15.6899 -15.6899 -15.6247 -15.6247 -10.6999 -10.6999 -10.6150 -10.6150 -8.1677 -8.1677 -8.1049 -8.1049 -8.0177 -8.0177 -0.8063 -0.8063 2.0052 2.0052 2.3103 2.3103 2.4865 2.4865 3.0495 3.0495 3.0990 3.0990 5.1072 5.1072 9.8296 9.8296 12.0140 12.0140 13.4065 13.4065 17.4422 17.4422 k = 0.4659 0.2690 0.3155 ( 2096 PWs) bands (ev): -15.6887 -15.6887 -15.6254 -15.6254 -10.6987 -10.6987 -10.6153 -10.6153 -8.1658 -8.1658 -8.1045 -8.1045 -8.0183 -8.0183 -0.8200 -0.8200 1.9886 1.9886 2.2948 2.2948 2.4914 2.4914 3.0658 3.0658 3.1243 3.1243 5.1071 5.1071 9.8440 9.8440 11.9993 11.9993 13.3824 13.3824 17.3033 17.3033 k = 0.4621 0.2668 0.3278 ( 2101 PWs) bands (ev): -15.6874 -15.6874 -15.6262 -15.6262 -10.6974 -10.6974 -10.6156 -10.6156 -8.1637 -8.1637 -8.1041 -8.1041 -8.0190 -8.0190 -0.8347 -0.8347 1.9705 1.9705 2.2772 2.2772 2.4996 2.4996 3.0827 3.0827 3.1504 3.1504 5.1069 5.1069 9.8596 9.8596 11.9828 11.9828 13.3579 13.3579 17.1668 17.1668 k = 0.4583 0.2646 0.3402 ( 2099 PWs) bands (ev): -15.6860 -15.6860 -15.6271 -15.6271 -10.6959 -10.6959 -10.6160 -10.6160 -8.1616 -8.1616 -8.1035 -8.1035 -8.0198 -8.0198 -0.8505 -0.8505 1.9512 1.9512 2.2578 2.2578 2.5110 2.5110 3.1000 3.1000 3.1772 3.1772 5.1069 5.1069 9.8762 9.8762 11.9644 11.9644 13.3336 13.3336 17.0330 17.0330 k = 0.4545 0.2624 0.3526 ( 2097 PWs) bands (ev): -15.6845 -15.6845 -15.6280 -15.6280 -10.6944 -10.6944 -10.6164 -10.6164 -8.1592 -8.1592 -8.1029 -8.1029 -8.0206 -8.0206 -0.8672 -0.8672 1.9308 1.9308 2.2370 2.2370 2.5253 2.5253 3.1175 3.1175 3.2043 3.2043 5.1070 5.1070 9.8936 9.8936 11.9443 11.9443 13.3098 13.3098 16.9021 16.9021 k = 0.4508 0.2602 0.3649 ( 2097 PWs) bands (ev): -15.6829 -15.6829 -15.6290 -15.6290 -10.6928 -10.6928 -10.6168 -10.6168 -8.1569 -8.1569 -8.1023 -8.1023 -8.0214 -8.0214 -0.8846 -0.8846 1.9097 1.9097 2.2151 2.2151 2.5421 2.5421 3.1350 3.1350 3.2315 3.2315 5.1071 5.1071 9.9115 9.9115 11.9228 11.9228 13.2870 13.2870 16.7743 16.7743 k = 0.4470 0.2581 0.3773 ( 2093 PWs) bands (ev): -15.6813 -15.6813 -15.6300 -15.6300 -10.6911 -10.6911 -10.6172 -10.6172 -8.1544 -8.1544 -8.1015 -8.1015 -8.0223 -8.0223 -0.9026 -0.9026 1.8882 1.8882 2.1923 2.1923 2.5611 2.5611 3.1525 3.1525 3.2584 3.2584 5.1074 5.1074 9.9297 9.9297 11.8999 11.8999 13.2657 13.2657 16.6496 16.6496 k = 0.4432 0.2559 0.3897 ( 2095 PWs) bands (ev): -15.6796 -15.6796 -15.6311 -15.6311 -10.6894 -10.6894 -10.6176 -10.6176 -8.1519 -8.1519 -8.1007 -8.1007 -8.0232 -8.0232 -0.9210 -0.9210 1.8665 1.8665 2.1690 2.1690 2.5820 2.5820 3.1699 3.1699 3.2848 3.2848 5.1078 5.1078 9.9479 9.9479 11.8762 11.8762 13.2460 13.2460 16.5283 16.5283 k = 0.4394 0.2537 0.4021 ( 2097 PWs) bands (ev): -15.6778 -15.6778 -15.6322 -15.6322 -10.6876 -10.6876 -10.6180 -10.6180 -8.1494 -8.1494 -8.0998 -8.0998 -8.0241 -8.0241 -0.9398 -0.9398 1.8448 1.8448 2.1453 2.1453 2.6043 2.6043 3.1871 3.1871 3.3107 3.3107 5.1084 5.1084 9.9656 9.9656 11.8520 11.8520 13.2281 13.2281 16.4105 16.4105 k = 0.4356 0.2515 0.4144 ( 2101 PWs) bands (ev): -15.6760 -15.6760 -15.6333 -15.6333 -10.6859 -10.6859 -10.6183 -10.6183 -8.1470 -8.1470 -8.0988 -8.0988 -8.0250 -8.0250 -0.9587 -0.9587 1.8232 1.8232 2.1215 2.1215 2.6280 2.6280 3.2040 3.2040 3.3357 3.3357 5.1091 5.1091 9.9826 9.9826 11.8277 11.8277 13.2122 13.2122 16.2963 16.2963 k = 0.4318 0.2493 0.4268 ( 2101 PWs) bands (ev): -15.6742 -15.6742 -15.6344 -15.6344 -10.6842 -10.6842 -10.6187 -10.6187 -8.1446 -8.1446 -8.0977 -8.0977 -8.0259 -8.0259 -0.9777 -0.9777 1.8021 1.8021 2.0976 2.0976 2.6527 2.6527 3.2206 3.2206 3.3598 3.3598 5.1100 5.1100 9.9985 9.9985 11.8040 11.8040 13.1982 13.1982 16.1858 16.1858 k = 0.4280 0.2471 0.4392 ( 2101 PWs) bands (ev): -15.6724 -15.6724 -15.6356 -15.6356 -10.6825 -10.6825 -10.6190 -10.6190 -8.1423 -8.1423 -8.0966 -8.0966 -8.0268 -8.0268 -0.9965 -0.9965 1.7814 1.7814 2.0739 2.0739 2.6783 2.6783 3.2368 3.2368 3.3828 3.3828 5.1111 5.1111 10.0127 10.0127 11.7814 11.7814 13.1863 13.1863 16.0792 16.0792 k = 0.4242 0.2449 0.4515 ( 2099 PWs) bands (ev): -15.6706 -15.6706 -15.6366 -15.6366 -10.6808 -10.6808 -10.6193 -10.6193 -8.1401 -8.1401 -8.0953 -8.0953 -8.0276 -8.0276 -1.0152 -1.0152 1.7613 1.7613 2.0504 2.0504 2.7045 2.7045 3.2526 3.2526 3.4046 3.4046 5.1122 5.1122 10.0250 10.0250 11.7606 11.7606 13.1762 13.1762 15.9765 15.9765 k = 0.4205 0.2427 0.4639 ( 2099 PWs) bands (ev): -15.6688 -15.6688 -15.6377 -15.6377 -10.6793 -10.6793 -10.6195 -10.6195 -8.1381 -8.1381 -8.0940 -8.0940 -8.0284 -8.0284 -1.0334 -1.0334 1.7419 1.7419 2.0272 2.0272 2.7311 2.7311 3.2680 3.2680 3.4251 3.4251 5.1135 5.1135 10.0348 10.0348 11.7421 11.7421 13.1680 13.1680 15.8779 15.8779 k = 0.4167 0.2406 0.4763 ( 2095 PWs) bands (ev): -15.6672 -15.6672 -15.6386 -15.6386 -10.6778 -10.6778 -10.6196 -10.6196 -8.1363 -8.1363 -8.0926 -8.0926 -8.0291 -8.0291 -1.0512 -1.0512 1.7234 1.7234 2.0046 2.0046 2.7581 2.7581 3.2829 3.2829 3.4443 3.4443 5.1149 5.1149 10.0418 10.0418 11.7265 11.7265 13.1614 13.1614 15.7836 15.7836 k = 0.4129 0.2384 0.4887 ( 2103 PWs) bands (ev): -15.6657 -15.6657 -15.6395 -15.6395 -10.6764 -10.6764 -10.6197 -10.6197 -8.1346 -8.1346 -8.0912 -8.0912 -8.0297 -8.0297 -1.0684 -1.0684 1.7056 1.7056 1.9824 1.9824 2.7853 2.7853 3.2973 3.2973 3.4620 3.4620 5.1163 5.1163 10.0455 10.0455 11.7144 11.7144 13.1565 13.1565 15.6935 15.6935 k = 0.4091 0.2362 0.5010 ( 2101 PWs) bands (ev): -15.6643 -15.6643 -15.6401 -15.6401 -10.6751 -10.6751 -10.6197 -10.6197 -8.1331 -8.1331 -8.0897 -8.0897 -8.0302 -8.0302 -1.0849 -1.0849 1.6889 1.6889 1.9609 1.9609 2.8125 2.8125 3.3112 3.3112 3.4782 3.4782 5.1177 5.1177 10.0458 10.0458 11.7062 11.7062 13.1530 13.1530 15.6077 15.6077 k = 0.4053 0.2340 0.5134 ( 2100 PWs) bands (ev): -15.6633 -15.6633 -15.6406 -15.6406 -10.6740 -10.6740 -10.6196 -10.6196 -8.1319 -8.1319 -8.0884 -8.0884 -8.0305 -8.0305 -1.1005 -1.1005 1.6731 1.6731 1.9401 1.9401 2.8397 2.8397 3.3245 3.3245 3.4929 3.4929 5.1191 5.1191 10.0423 10.0423 11.7022 11.7022 13.1508 13.1508 15.5265 15.5265 k = 0.4015 0.2318 0.5258 ( 2102 PWs) bands (ev): -15.6626 -15.6626 -15.6407 -15.6407 -10.6731 -10.6731 -10.6194 -10.6194 -8.1308 -8.1308 -8.0871 -8.0871 -8.0307 -8.0307 -1.1153 -1.1153 1.6583 1.6583 1.9201 1.9201 2.8666 2.8666 3.3373 3.3373 3.5060 3.5060 5.1203 5.1203 10.0351 10.0351 11.7026 11.7026 13.1499 13.1499 15.4498 15.4498 k = 0.3977 0.2296 0.5381 ( 2104 PWs) bands (ev): -15.6623 -15.6623 -15.6404 -15.6404 -10.6723 -10.6723 -10.6192 -10.6192 -8.1299 -8.1299 -8.0859 -8.0859 -8.0307 -8.0307 -1.1291 -1.1291 1.6446 1.6446 1.9009 1.9009 2.8934 2.8934 3.3496 3.3496 3.5174 3.5174 5.1213 5.1213 10.0240 10.0240 11.7074 11.7074 13.1500 13.1500 15.3777 15.3777 k = 0.3939 0.2274 0.5505 ( 2104 PWs) bands (ev): -15.6625 -15.6625 -15.6397 -15.6397 -10.6716 -10.6716 -10.6189 -10.6189 -8.1291 -8.1291 -8.0849 -8.0849 -8.0305 -8.0305 -1.1417 -1.1417 1.6320 1.6320 1.8827 1.8827 2.9197 2.9197 3.3613 3.3613 3.5273 3.5273 5.1220 5.1220 10.0093 10.0093 11.7166 11.7166 13.1512 13.1512 15.3103 15.3103 k = 0.3902 0.2253 0.5629 ( 2106 PWs) bands (ev): -15.6631 -15.6631 -15.6387 -15.6387 -10.6712 -10.6712 -10.6185 -10.6185 -8.1285 -8.1285 -8.0841 -8.0841 -8.0302 -8.0302 -1.1532 -1.1532 1.6205 1.6205 1.8654 1.8654 2.9457 2.9457 3.3724 3.3724 3.5355 3.5355 5.1223 5.1223 9.9910 9.9910 11.7300 11.7300 13.1534 13.1534 15.2477 15.2477 k = 0.3864 0.2231 0.5753 ( 2107 PWs) bands (ev): -15.6641 -15.6641 -15.6373 -15.6373 -10.6709 -10.6709 -10.6180 -10.6180 -8.1281 -8.1281 -8.0836 -8.0836 -8.0297 -8.0297 -1.1635 -1.1635 1.6102 1.6102 1.8491 1.8491 2.9712 2.9712 3.3830 3.3830 3.5422 3.5422 5.1222 5.1222 9.9697 9.9697 11.7472 11.7472 13.1565 13.1565 15.1898 15.1898 k = 0.3826 0.2209 0.5876 ( 2108 PWs) bands (ev): -15.6654 -15.6654 -15.6356 -15.6356 -10.6707 -10.6707 -10.6175 -10.6175 -8.1278 -8.1278 -8.0832 -8.0832 -8.0290 -8.0290 -1.1724 -1.1724 1.6011 1.6011 1.8340 1.8340 2.9961 2.9961 3.3930 3.3930 3.5473 3.5473 5.1214 5.1214 9.9455 9.9455 11.7679 11.7679 13.1605 13.1605 15.1368 15.1368 k = 0.3788 0.2187 0.6000 ( 2104 PWs) bands (ev): -15.6671 -15.6671 -15.6336 -15.6336 -10.6707 -10.6707 -10.6169 -10.6169 -8.1276 -8.1276 -8.0830 -8.0830 -8.0282 -8.0282 -1.1800 -1.1800 1.5932 1.5932 1.8199 1.8199 3.0205 3.0205 3.4024 3.4024 3.5508 3.5508 5.1199 5.1199 9.9189 9.9189 11.7914 11.7914 13.1653 13.1653 15.0886 15.0886 k = 0.3750 0.2165 0.6124 ( 2097 PWs) bands (ev): -15.6690 -15.6690 -15.6315 -15.6315 -10.6709 -10.6709 -10.6163 -10.6163 -8.1275 -8.1275 -8.0831 -8.0831 -8.0273 -8.0273 -1.1861 -1.1861 1.5864 1.5864 1.8071 1.8071 3.0442 3.0442 3.4113 3.4113 3.5528 3.5528 5.1176 5.1176 9.8904 9.8904 11.8173 11.8173 13.1710 13.1710 15.0452 15.0452 k = 0.6250-0.0722 0.4082 ( 2097 PWs) bands (ev): -15.6690 -15.6690 -15.6315 -15.6315 -10.6709 -10.6709 -10.6163 -10.6163 -8.1275 -8.1275 -8.0831 -8.0831 -8.0273 -8.0273 -1.1861 -1.1861 1.5864 1.5864 1.8071 1.8071 3.0442 3.0442 3.4113 3.4113 3.5528 3.5528 5.1176 5.1176 9.8904 9.8904 11.8173 11.8173 13.1710 13.1710 15.0452 15.0452 k = 0.6184-0.0836 0.4082 ( 2107 PWs) bands (ev): -15.6725 -15.6725 -15.6277 -15.6277 -10.6713 -10.6713 -10.6153 -10.6153 -8.1276 -8.1276 -8.0835 -8.0835 -8.0257 -8.0257 -1.1950 -1.1950 1.5760 1.5760 1.7864 1.7864 3.0848 3.0848 3.4258 3.4258 3.5549 3.5549 5.1122 5.1122 9.8385 9.8385 11.8652 11.8652 13.1824 13.1824 14.9754 14.9754 k = 0.6118-0.0950 0.4082 ( 2103 PWs) bands (ev): -15.6758 -15.6758 -15.6241 -15.6241 -10.6718 -10.6718 -10.6143 -10.6143 -8.1277 -8.1277 -8.0839 -8.0839 -8.0240 -8.0240 -1.2032 -1.2032 1.5662 1.5662 1.7669 1.7669 3.1251 3.1251 3.4398 3.4398 3.5568 3.5568 5.1061 5.1061 9.7850 9.7850 11.9147 11.9147 13.1954 13.1954 14.9077 14.9077 k = 0.6053-0.1064 0.4082 ( 2099 PWs) bands (ev): -15.6788 -15.6788 -15.6208 -15.6208 -10.6724 -10.6724 -10.6132 -10.6132 -8.1280 -8.1280 -8.0845 -8.0845 -8.0222 -8.0222 -1.2106 -1.2106 1.5569 1.5569 1.7486 1.7486 3.1650 3.1650 3.4533 3.4533 3.5586 3.5586 5.0993 5.0993 9.7308 9.7308 11.9649 11.9649 13.2102 13.2102 14.8422 14.8422 k = 0.5987-0.1177 0.4082 ( 2101 PWs) bands (ev): -15.6817 -15.6817 -15.6177 -15.6177 -10.6731 -10.6731 -10.6121 -10.6121 -8.1283 -8.1283 -8.0851 -8.0851 -8.0204 -8.0204 -1.2173 -1.2173 1.5481 1.5481 1.7315 1.7315 3.2041 3.2041 3.4661 3.4661 3.5601 3.5601 5.0919 5.0919 9.6765 9.6765 12.0151 12.0151 13.2271 13.2271 14.7788 14.7788 k = 0.5921-0.1291 0.4082 ( 2101 PWs) bands (ev): -15.6844 -15.6844 -15.6148 -15.6148 -10.6738 -10.6738 -10.6111 -10.6111 -8.1288 -8.1288 -8.0857 -8.0857 -8.0187 -8.0187 -1.2235 -1.2235 1.5398 1.5398 1.7158 1.7158 3.2423 3.2423 3.4783 3.4783 3.5616 3.5616 5.0841 5.0841 9.6228 9.6228 12.0645 12.0645 13.2462 13.2462 14.7173 14.7173 k = 0.5855-0.1405 0.4082 ( 2099 PWs) bands (ev): -15.6869 -15.6869 -15.6122 -15.6122 -10.6746 -10.6746 -10.6100 -10.6100 -8.1293 -8.1293 -8.0863 -8.0863 -8.0169 -8.0169 -1.2290 -1.2290 1.5318 1.5318 1.7014 1.7014 3.2792 3.2792 3.4899 3.4899 3.5629 3.5629 5.0761 5.0761 9.5701 9.5701 12.1124 12.1124 13.2678 13.2678 14.6578 14.6578 k = 0.5789-0.1519 0.4082 ( 2099 PWs) bands (ev): -15.6892 -15.6892 -15.6097 -15.6097 -10.6754 -10.6754 -10.6090 -10.6090 -8.1298 -8.1298 -8.0869 -8.0869 -8.0152 -8.0152 -1.2339 -1.2339 1.5243 1.5243 1.6883 1.6883 3.3146 3.3146 3.5008 3.5008 3.5642 3.5642 5.0679 5.0679 9.5190 9.5190 12.1582 12.1582 13.2919 13.2919 14.6000 14.6000 k = 0.5724-0.1633 0.4082 ( 2103 PWs) bands (ev): -15.6913 -15.6913 -15.6075 -15.6075 -10.6762 -10.6762 -10.6080 -10.6080 -8.1305 -8.1305 -8.0874 -8.0874 -8.0135 -8.0135 -1.2383 -1.2383 1.5172 1.5172 1.6766 1.6766 3.3482 3.3482 3.5111 3.5111 3.5653 3.5653 5.0598 5.0598 9.4701 9.4701 12.2012 12.2012 13.3185 13.3185 14.5440 14.5440 k = 0.5658-0.1747 0.4082 ( 2095 PWs) bands (ev): -15.6932 -15.6932 -15.6055 -15.6055 -10.6769 -10.6769 -10.6071 -10.6071 -8.1311 -8.1311 -8.0879 -8.0879 -8.0119 -8.0119 -1.2421 -1.2421 1.5106 1.5106 1.6661 1.6661 3.3798 3.3798 3.5207 3.5207 3.5664 3.5664 5.0519 5.0519 9.4237 9.4237 12.2411 12.2411 13.3477 13.3477 14.4897 14.4897 k = 0.5592-0.1861 0.4082 ( 2095 PWs) bands (ev): -15.6950 -15.6950 -15.6037 -15.6037 -10.6776 -10.6776 -10.6062 -10.6062 -8.1317 -8.1317 -8.0884 -8.0884 -8.0105 -8.0105 -1.2456 -1.2456 1.5043 1.5043 1.6570 1.6570 3.4090 3.4090 3.5296 3.5296 3.5674 3.5674 5.0443 5.0443 9.3804 9.3804 12.2775 12.2775 13.3793 13.3793 14.4371 14.4371 k = 0.5526-0.1975 0.4082 ( 2097 PWs) bands (ev): -15.6965 -15.6965 -15.6021 -15.6021 -10.6783 -10.6783 -10.6054 -10.6054 -8.1324 -8.1324 -8.0888 -8.0888 -8.0091 -8.0091 -1.2485 -1.2485 1.4986 1.4986 1.6490 1.6490 3.4356 3.4356 3.5378 3.5378 3.5684 3.5684 5.0372 5.0372 9.3405 9.3405 12.3100 12.3100 13.4128 13.4128 14.3863 14.3863 k = 0.5461-0.2089 0.4082 ( 2097 PWs) bands (ev): -15.6979 -15.6979 -15.6007 -15.6007 -10.6790 -10.6790 -10.6046 -10.6046 -8.1330 -8.1330 -8.0891 -8.0891 -8.0079 -8.0079 -1.2511 -1.2511 1.4933 1.4933 1.6422 1.6422 3.4593 3.4593 3.5452 3.5452 3.5697 3.5697 5.0306 5.0306 9.3044 9.3044 12.3386 12.3386 13.4478 13.4478 14.3375 14.3375 k = 0.5395-0.2203 0.4082 ( 2092 PWs) bands (ev): -15.6990 -15.6990 -15.5995 -15.5995 -10.6795 -10.6795 -10.6040 -10.6040 -8.1335 -8.1335 -8.0894 -8.0894 -8.0068 -8.0068 -1.2533 -1.2533 1.4886 1.4886 1.6365 1.6365 3.4797 3.4797 3.5516 3.5516 3.5714 3.5714 5.0246 5.0246 9.2724 9.2724 12.3632 12.3632 13.4835 13.4835 14.2911 14.2911 k = 0.5329-0.2317 0.4082 ( 2088 PWs) bands (ev): -15.7000 -15.7000 -15.5984 -15.5984 -10.6800 -10.6800 -10.6034 -10.6034 -8.1341 -8.1341 -8.0897 -8.0897 -8.0059 -8.0059 -1.2551 -1.2551 1.4845 1.4845 1.6318 1.6318 3.4968 3.4968 3.5566 3.5566 3.5738 3.5738 5.0194 5.0194 9.2448 9.2448 12.3838 12.3838 13.5188 13.5188 14.2477 14.2477 k = 0.5263-0.2431 0.4082 ( 2088 PWs) bands (ev): -15.7008 -15.7008 -15.5976 -15.5976 -10.6805 -10.6805 -10.6030 -10.6030 -8.1345 -8.1345 -8.0899 -8.0899 -8.0051 -8.0051 -1.2565 -1.2565 1.4811 1.4811 1.6281 1.6281 3.5103 3.5103 3.5599 3.5599 3.5773 3.5773 5.0150 5.0150 9.2219 9.2219 12.4005 12.4005 13.5524 13.5524 14.2082 14.2082 k = 0.5197-0.2545 0.4082 ( 2096 PWs) bands (ev): -15.7015 -15.7015 -15.5970 -15.5970 -10.6808 -10.6808 -10.6026 -10.6026 -8.1349 -8.1349 -8.0900 -8.0900 -8.0045 -8.0045 -1.2576 -1.2576 1.4784 1.4784 1.6253 1.6253 3.5204 3.5204 3.5617 3.5617 3.5813 3.5813 5.0116 5.0116 9.2038 9.2038 12.4133 12.4133 13.5825 13.5825 14.1740 14.1740 k = 0.5132-0.2659 0.4082 ( 2100 PWs) bands (ev): -15.7019 -15.7019 -15.5965 -15.5965 -10.6811 -10.6811 -10.6024 -10.6024 -8.1351 -8.1351 -8.0901 -8.0901 -8.0041 -8.0041 -1.2584 -1.2584 1.4764 1.4764 1.6232 1.6232 3.5274 3.5274 3.5625 3.5625 3.5849 3.5849 5.0090 5.0090 9.1908 9.1908 12.4224 12.4224 13.6069 13.6069 14.1470 14.1470 k = 0.5066-0.2773 0.4082 ( 2100 PWs) bands (ev): -15.7022 -15.7022 -15.5963 -15.5963 -10.6812 -10.6812 -10.6022 -10.6022 -8.1353 -8.1353 -8.0902 -8.0902 -8.0038 -8.0038 -1.2589 -1.2589 1.4753 1.4753 1.6221 1.6221 3.5315 3.5315 3.5629 3.5629 3.5874 3.5874 5.0075 5.0075 9.1829 9.1829 12.4278 12.4278 13.6229 13.6229 14.1295 14.1295 k = 0.5000-0.2887 0.4082 ( 2100 PWs) bands (ev): -15.7023 -15.7023 -15.5962 -15.5962 -10.6812 -10.6812 -10.6022 -10.6022 -8.1353 -8.1353 -8.0902 -8.0902 -8.0037 -8.0037 -1.2590 -1.2590 1.4749 1.4749 1.6217 1.6217 3.5328 3.5328 3.5630 3.5630 3.5883 3.5883 5.0070 5.0070 9.1803 9.1803 12.4296 12.4296 13.6286 13.6286 14.1233 14.1233 Writing output data file PbF2.save init_run : 0.12s CPU 0.27s WALL ( 1 calls) electrons : 49.60s CPU 51.38s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.02s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 49.60s CPU 51.37s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.01s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.03s WALL ( 355 calls) cegterg : 45.43s CPU 46.39s WALL ( 368 calls) Called by sum_band: Called by *egterg: h_psi : 19.77s CPU 20.51s WALL ( 5051 calls) s_psi : 0.75s CPU 0.71s WALL ( 5051 calls) g_psi : 0.06s CPU 0.06s WALL ( 4328 calls) cdiaghg : 24.22s CPU 24.71s WALL ( 4683 calls) cegterg:over : 1.44s CPU 1.45s WALL ( 4328 calls) cegterg:upda : 0.96s CPU 0.98s WALL ( 4328 calls) cegterg:last : 0.46s CPU 0.48s WALL ( 745 calls) cdiaghg:chol : 1.16s CPU 1.22s WALL ( 4683 calls) cdiaghg:inve : 0.71s CPU 0.81s WALL ( 4683 calls) cdiaghg:para : 1.28s CPU 1.34s WALL ( 9366 calls) Called by h_psi: h_psi:vloc : 18.04s CPU 18.60s WALL ( 5051 calls) h_psi:vnl : 1.70s CPU 1.87s WALL ( 5051 calls) add_vuspsi : 0.88s CPU 0.93s WALL ( 5051 calls) General routines calbec : 0.80s CPU 0.93s WALL ( 5051 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 16.74s CPU 17.28s WALL ( 401140 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.08s CPU 0.13s WALL ( 710 calls) Parallel routines fft_scatter : 8.35s CPU 8.66s WALL ( 401163 calls) PWSCF : 0m58.97s CPU 1m13.21s WALL This run was terminated on: 17:59: 7 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=